diff --git a/mathmech/CHANGELOG b/mathmech/CHANGELOG new file mode 100644 index 0000000..be4c579 --- /dev/null +++ b/mathmech/CHANGELOG @@ -0,0 +1,17 @@ +V.1.2.0 () + * changes in the architecture + + added library + +V.1.1.1 (2013-09-03) + * optimization + +V.1.1.0 (2013-09-02) + + added help window + + added help docs + - small bug fixes + +V.1.0.3 (2013-08-30) + * bug fixes + +V.1.0.1 (2013-07-27) + + initial release diff --git a/mathmech/CMakeLists.txt b/mathmech/CMakeLists.txt index a9bb1a1..63a9ee9 100644 --- a/mathmech/CMakeLists.txt +++ b/mathmech/CMakeLists.txt @@ -5,16 +5,15 @@ cmake_policy (SET CMP0002 OLD) cmake_policy (SET CMP0011 NEW) cmake_policy (SET CMP0015 NEW) -set (PROJECT_LONG mathmech) +project (mathmech) set (PROJECT_VERSION_MAJOR 1) -set (PROJECT_VERSION_MINOR 1) -set (PROJECT_VERSION_PATCH 1) +set (PROJECT_VERSION_MINOR 2) +set (PROJECT_VERSION_PATCH 0) set (PROJECT_VERSION ${PROJECT_VERSION_MAJOR}.${PROJECT_VERSION_MINOR}.${PROJECT_VERSION_PATCH}) message (STATUS "Version ${PROJECT_VERSION}") set (COMPS mathmech - mm agl envir radf @@ -34,6 +33,12 @@ elseif (CMAKE_SYSTEM_NAME MATCHES Windows) set (QWT_LIBRARY_PATH "C:/Qwt-6.1.0/lib" CACHE STRING "Path to qwt library") endif () +# set libraries +set (LIBRARIES mm) +foreach (LIBRARY ${LIBRARIES}) + add_subdirectory (${LIBRARY}) +endforeach () + foreach (COMP ${COMPS}) add_subdirectory (${COMP}) endforeach () diff --git a/mathmech/agl/AUTHORS b/mathmech/agl/AUTHORS deleted file mode 100644 index 2c0d60a..0000000 --- a/mathmech/agl/AUTHORS +++ /dev/null @@ -1,3 +0,0 @@ -Current developers: - -Evgeniy Alekseev aka arcanis diff --git a/mathmech/agl/CMakeLists.txt b/mathmech/agl/CMakeLists.txt index 3311581..f0fccb4 100644 --- a/mathmech/agl/CMakeLists.txt +++ b/mathmech/agl/CMakeLists.txt @@ -1,17 +1,17 @@ # set project name -set (PROJECT agl) +set (SUBPROJECT agl) # set additional cmake file -include (${PROJECT}.cmake) +include (${SUBPROJECT}.cmake) # set libraries -set (LIBRARIES "") +set (LIBRARIES mm) foreach (LIBRARY ${LIBRARIES}) - add_subdirectory (../${LIBRARY} bin/${LIBRARY}) include_directories (${CMAKE_CURRENT_SOURCE_DIR}/../${LIBRARY}/include/) + link_directories (${LIBRARY}/src/lib) endforeach () # additional targets set (TARGETS "") set (HEADERS "") -add_subdirectory (${PROJECT_SOURCE_DIR}) \ No newline at end of file +add_subdirectory (${SUBPROJECT_SOURCE_DIR}) \ No newline at end of file diff --git a/mathmech/agl/COPYING b/mathmech/agl/COPYING deleted file mode 100644 index eb47f5d..0000000 --- a/mathmech/agl/COPYING +++ /dev/null @@ -1,341 +0,0 @@ - GNU GENERAL PUBLIC LICENSE - Version 2, June 1991 - - Copyright (C) 1989, 1991 Free Software Foundation, Inc. - 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA - - Everyone is permitted to copy and distribute verbatim copies - of this license document, but changing it is not allowed. - - Preamble - - The licenses for most software are designed to take away your -freedom to share and change it. By contrast, the GNU General Public -License is intended to guarantee your freedom to share and change free -software--to make sure the software is free for all its users. This -General Public License applies to most of the Free Software -Foundation's software and to any other program whose authors commit to -using it. (Some other Free Software Foundation software is covered by -the GNU Library General Public License instead.) You can apply it to -your programs, too. - - When we speak of free software, we are referring to freedom, not -price. Our General Public Licenses are designed to make sure that you -have the freedom to distribute copies of free software (and charge for -this service if you wish), that you receive source code or can get it -if you want it, that you can change the software or use pieces of it -in new free programs; and that you know you can do these things. - - To protect your rights, we need to make restrictions that forbid -anyone to deny you these rights or to ask you to surrender the rights. -These restrictions translate to certain responsibilities for you if you -distribute copies of the software, or if you modify it. - - For example, if you distribute copies of such a program, whether -gratis or for a fee, you must give the recipients all the rights that -you have. You must make sure that they, too, receive or can get the -source code. And you must show them these terms so they know their -rights. - - We protect your rights with two steps: (1) copyright the software, and -(2) offer you this license which gives you legal permission to copy, -distribute and/or modify the software. - - Also, for each author's protection and ours, we want to make certain -that everyone understands that there is no warranty for this free -software. If the software is modified by someone else and passed on, we -want its recipients to know that what they have is not the original, so -that any problems introduced by others will not reflect on the original -authors' reputations. - - Finally, any free program is threatened constantly by software -patents. We wish to avoid the danger that redistributors of a free -program will individually obtain patent licenses, in effect making the -program proprietary. To prevent this, we have made it clear that any -patent must be licensed for everyone's free use or not licensed at all. - - The precise terms and conditions for copying, distribution and -modification follow. - - GNU GENERAL PUBLIC LICENSE - TERMS AND CONDITIONS FOR COPYING, DISTRIBUTION AND MODIFICATION - - 0. This License applies to any program or other work which contains -a notice placed by the copyright holder saying it may be distributed -under the terms of this General Public License. The "Program", below, -refers to any such program or work, and a "work based on the Program" -means either the Program or any derivative work under copyright law: -that is to say, a work containing the Program or a portion of it, -either verbatim or with modifications and/or translated into another -language. (Hereinafter, translation is included without limitation in -the term "modification".) Each licensee is addressed as "you". - -Activities other than copying, distribution and modification are not -covered by this License; they are outside its scope. The act of -running the Program is not restricted, and the output from the Program -is covered only if its contents constitute a work based on the -Program (independent of having been made by running the Program). -Whether that is true depends on what the Program does. - - 1. You may copy and distribute verbatim copies of the Program's -source code as you receive it, in any medium, provided that you -conspicuously and appropriately publish on each copy an appropriate -copyright notice and disclaimer of warranty; keep intact all the -notices that refer to this License and to the absence of any warranty; -and give any other recipients of the Program a copy of this License -along with the Program. - -You may charge a fee for the physical act of transferring a copy, and -you may at your option offer warranty protection in exchange for a fee. - - 2. You may modify your copy or copies of the Program or any portion -of it, thus forming a work based on the Program, and copy and -distribute such modifications or work under the terms of Section 1 -above, provided that you also meet all of these conditions: - - a) You must cause the modified files to carry prominent notices - stating that you changed the files and the date of any change. - - b) You must cause any work that you distribute or publish, that in - whole or in part contains or is derived from the Program or any - part thereof, to be licensed as a whole at no charge to all third - parties under the terms of this License. - - c) If the modified program normally reads commands interactively - when run, you must cause it, when started running for such - interactive use in the most ordinary way, to print or display an - announcement including an appropriate copyright notice and a - notice that there is no warranty (or else, saying that you provide - a warranty) and that users may redistribute the program under - these conditions, and telling the user how to view a copy of this - License. (Exception: if the Program itself is interactive but - does not normally print such an announcement, your work based on - the Program is not required to print an announcement.) - -These requirements apply to the modified work as a whole. If -identifiable sections of that work are not derived from the Program, -and can be reasonably considered independent and separate works in -themselves, then this License, and its terms, do not apply to those -sections when you distribute them as separate works. But when you -distribute the same sections as part of a whole which is a work based -on the Program, the distribution of the whole must be on the terms of -this License, whose permissions for other licensees extend to the -entire whole, and thus to each and every part regardless of who wrote it. - -Thus, it is not the intent of this section to claim rights or contest -your rights to work written entirely by you; rather, the intent is to -exercise the right to control the distribution of derivative or -collective works based on the Program. - -In addition, mere aggregation of another work not based on the Program -with the Program (or with a work based on the Program) on a volume of -a storage or distribution medium does not bring the other work under -the scope of this License. - - 3. You may copy and distribute the Program (or a work based on it, -under Section 2) in object code or executable form under the terms of -Sections 1 and 2 above provided that you also do one of the following: - - a) Accompany it with the complete corresponding machine-readable - source code, which must be distributed under the terms of Sections - 1 and 2 above on a medium customarily used for software interchange; or, - - b) Accompany it with a written offer, valid for at least three - years, to give any third party, for a charge no more than your - cost of physically performing source distribution, a complete - machine-readable copy of the corresponding source code, to be - distributed under the terms of Sections 1 and 2 above on a medium - customarily used for software interchange; or, - - c) Accompany it with the information you received as to the offer - to distribute corresponding source code. (This alternative is - allowed only for noncommercial distribution and only if you - received the program in object code or executable form with such - an offer, in accord with Subsection b above.) - -The source code for a work means the preferred form of the work for -making modifications to it. For an executable work, complete source -code means all the source code for all modules it contains, plus any -associated interface definition files, plus the scripts used to -control compilation and installation of the executable. However, as a -special exception, the source code distributed need not include -anything that is normally distributed (in either source or binary -form) with the major components (compiler, kernel, and so on) of the -operating system on which the executable runs, unless that component -itself accompanies the executable. - -If distribution of executable or object code is made by offering -access to copy from a designated place, then offering equivalent -access to copy the source code from the same place counts as -distribution of the source code, even though third parties are not -compelled to copy the source along with the object code. - - 4. You may not copy, modify, sublicense, or distribute the Program -except as expressly provided under this License. Any attempt -otherwise to copy, modify, sublicense or distribute the Program is -void, and will automatically terminate your rights under this License. -However, parties who have received copies, or rights, from you under -this License will not have their licenses terminated so long as such -parties remain in full compliance. - - 5. You are not required to accept this License, since you have not -signed it. However, nothing else grants you permission to modify or -distribute the Program or its derivative works. These actions are -prohibited by law if you do not accept this License. Therefore, by -modifying or distributing the Program (or any work based on the -Program), you indicate your acceptance of this License to do so, and -all its terms and conditions for copying, distributing or modifying -the Program or works based on it. - - 6. Each time you redistribute the Program (or any work based on the -Program), the recipient automatically receives a license from the -original licensor to copy, distribute or modify the Program subject to -these terms and conditions. You may not impose any further -restrictions on the recipients' exercise of the rights granted herein. -You are not responsible for enforcing compliance by third parties to -this License. - - 7. If, as a consequence of a court judgment or allegation of patent -infringement or for any other reason (not limited to patent issues), -conditions are imposed on you (whether by court order, agreement or -otherwise) that contradict the conditions of this License, they do not -excuse you from the conditions of this License. If you cannot -distribute so as to satisfy simultaneously your obligations under this -License and any other pertinent obligations, then as a consequence you -may not distribute the Program at all. For example, if a patent -license would not permit royalty-free redistribution of the Program by -all those who receive copies directly or indirectly through you, then -the only way you could satisfy both it and this License would be to -refrain entirely from distribution of the Program. - -If any portion of this section is held invalid or unenforceable under -any particular circumstance, the balance of the section is intended to -apply and the section as a whole is intended to apply in other -circumstances. - -It is not the purpose of this section to induce you to infringe any -patents or other property right claims or to contest validity of any -such claims; this section has the sole purpose of protecting the -integrity of the free software distribution system, which is -implemented by public license practices. Many people have made -generous contributions to the wide range of software distributed -through that system in reliance on consistent application of that -system; it is up to the author/donor to decide if he or she is willing -to distribute software through any other system and a licensee cannot -impose that choice. - -This section is intended to make thoroughly clear what is believed to -be a consequence of the rest of this License. - - 8. If the distribution and/or use of the Program is restricted in -certain countries either by patents or by copyrighted interfaces, the -original copyright holder who places the Program under this License -may add an explicit geographical distribution limitation excluding -those countries, so that distribution is permitted only in or among -countries not thus excluded. In such case, this License incorporates -the limitation as if written in the body of this License. - - 9. The Free Software Foundation may publish revised and/or new versions -of the General Public License from time to time. Such new versions will -be similar in spirit to the present version, but may differ in detail to -address new problems or concerns. - -Each version is given a distinguishing version number. If the Program -specifies a version number of this License which applies to it and "any -later version", you have the option of following the terms and conditions -either of that version or of any later version published by the Free -Software Foundation. If the Program does not specify a version number of -this License, you may choose any version ever published by the Free Software -Foundation. - - 10. If you wish to incorporate parts of the Program into other free -programs whose distribution conditions are different, write to the author -to ask for permission. For software which is copyrighted by the Free -Software Foundation, write to the Free Software Foundation; we sometimes -make exceptions for this. Our decision will be guided by the two goals -of preserving the free status of all derivatives of our free software and -of promoting the sharing and reuse of software generally. - - NO WARRANTY - - 11. BECAUSE THE PROGRAM IS LICENSED FREE OF CHARGE, THERE IS NO WARRANTY -FOR THE PROGRAM, TO THE EXTENT PERMITTED BY APPLICABLE LAW. EXCEPT WHEN -OTHERWISE STATED IN WRITING THE COPYRIGHT HOLDERS AND/OR OTHER PARTIES -PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY OF ANY KIND, EITHER EXPRESSED -OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF -MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE. THE ENTIRE RISK AS -TO THE QUALITY AND PERFORMANCE OF THE PROGRAM IS WITH YOU. SHOULD THE -PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF ALL NECESSARY SERVICING, -REPAIR OR CORRECTION. - - 12. IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING -WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MAY MODIFY AND/OR -REDISTRIBUTE THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, -INCLUDING ANY GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING -OUT OF THE USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED -TO LOSS OF DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY -YOU OR THIRD PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER -PROGRAMS), EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE -POSSIBILITY OF SUCH DAMAGES. - - END OF TERMS AND CONDITIONS - - How to Apply These Terms to Your New Programs - - If you develop a new program, and you want it to be of the greatest -possible use to the public, the best way to achieve this is to make it -free software which everyone can redistribute and change under these terms. - - To do so, attach the following notices to the program. It is safest -to attach them to the start of each source file to most effectively -convey the exclusion of warranty; and each file should have at least -the "copyright" line and a pointer to where the full notice is found. - - - Copyright (C) 19yy - - This program is free software; you can redistribute it and/or modify - it under the terms of the GNU General Public License as published by - the Free Software Foundation; either version 2 of the License, or - (at your option) any later version. - - This program is distributed in the hope that it will be useful, - but WITHOUT ANY WARRANTY; without even the implied warranty of - MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the - GNU General Public License for more details. - - You should have received a copy of the GNU General Public License - along with this program; if not, write to the Free Software - Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA - - -Also add information on how to contact you by electronic and paper mail. - -If the program is interactive, make it output a short notice like this -when it starts in an interactive mode: - - Gnomovision version 69, Copyright (C) 19yy name of author - Gnomovision comes with ABSOLUTELY NO WARRANTY; for details type `show w'. - This is free software, and you are welcome to redistribute it - under certain conditions; type `show c' for details. - -The hypothetical commands `show w' and `show c' should show the appropriate -parts of the General Public License. Of course, the commands you use may -be called something other than `show w' and `show c'; they could even be -mouse-clicks or menu items--whatever suits your program. - -You should also get your employer (if you work as a programmer) or your -school, if any, to sign a "copyright disclaimer" for the program, if -necessary. Here is a sample; alter the names: - - Yoyodyne, Inc., hereby disclaims all copyright interest in the program - `Gnomovision' (which makes passes at compilers) written by James Hacker. - - , 1 April 1989 - Ty Coon, President of Vice - -This General Public License does not permit incorporating your program into -proprietary programs. If your program is a subroutine library, you may -consider it more useful to permit linking proprietary applications with the -library. If this is what you want to do, use the GNU Library General -Public License instead of this License. diff --git a/mathmech/agl/INSTALL b/mathmech/agl/INSTALL deleted file mode 100644 index 93ebd11..0000000 --- a/mathmech/agl/INSTALL +++ /dev/null @@ -1,16 +0,0 @@ -CMakeFlags: - -DCMAKE_INSTALL_PREFIX= - install prefix (default is '/usr/local') - -DADD_INCLUDE=1 - install include files (default is disable) - -DADD_DOCS=1 - install documentation (default is disable) - -DWITH_DEBUG_MODE=1 - compile with flag '-g' (default is disable) - -DMM_PREFIX - prefix for mm components (test flag) - -Install for Linux: - mkdir build && cd build - cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=Release ../ - make - make install -Install for Windows: - create project file using 'cmake' - compile project -You may also download compiled executable file for Win_x86. diff --git a/mathmech/agl/README b/mathmech/agl/README index 9d0c77a..2fe8f49 100644 --- a/mathmech/agl/README +++ b/mathmech/agl/README @@ -1,9 +1,9 @@ -mm_agl - program that creates PDB file with chosen agglomerate -Version: 1.1.1 +agl - program that creates PDB file with chosen agglomerate +Version: 1.2.0 License: GPL Usage: - mm_agl -a FILENAME -i FILENAME -c X,Y,Z -o FILEMANE [ -l LOGFILE ] [ -q ] [ -h ] + agl -a FILENAME -i FILENAME -c X,Y,Z -o FILEMANE [ -l LOGFILE ] [ -q ] [ -h ] Parametrs: -a - input file with agglomerates (in format statgen) diff --git a/mathmech/agl/agl.cmake b/mathmech/agl/agl.cmake index 41d797c..69badbb 100644 --- a/mathmech/agl/agl.cmake +++ b/mathmech/agl/agl.cmake @@ -1,17 +1,12 @@ # set directories -set (PROJECT_BINARY_DIR bin) -set (PROJECT_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/src) -set (PROJECT_INCLUDE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/include) -set (PROJECT_LIB_DIR ${CMAKE_CURRENT_SOURCE_DIR}/lib) +set (SUBPROJECT_BINARY_DIR bin) +set (SUBPROJECT_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/src) # include_path -include_directories (${PROJECT_INCLUDE_DIR} - ${PROJECT_SOURCE_DIR}) +include_directories (${SUBPROJECT_SOURCE_DIR}) -# library path -link_directories (${PROJECT_LIB_DIR}) # executable path -set (EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}) +set (EXECUTABLE_OUTPUT_PATH ${SUBPROJECT_BINARY_DIR}) # verbose set (CMAKE_VERBOSE_MAKEFILE ON) diff --git a/mathmech/agl/src/CMakeLists.txt b/mathmech/agl/src/CMakeLists.txt index 6b0873f..0c12b34 100644 --- a/mathmech/agl/src/CMakeLists.txt +++ b/mathmech/agl/src/CMakeLists.txt @@ -10,12 +10,12 @@ else () endif () # message -message (STATUS "${PROJECT} SOURCES: ${SOURCES}") -message (STATUS "${PROJECT} HEADERS: ${HEADERS}") +message (STATUS "${SUBPROJECT} SOURCES: ${SOURCES}") +message (STATUS "${SUBPROJECT} HEADERS: ${HEADERS}") # link libraries and compile -add_executable (${MM_PREFIX}${PROJECT} ${SOURCES} ${HEADERS}) -target_link_libraries (${MM_PREFIX}${PROJECT} ${ADDITIONAL_LIB} ${LIBRARIES}) +add_executable (${MM_PREFIX}${SUBPROJECT} ${SOURCES} ${HEADERS}) +target_link_libraries (${MM_PREFIX}${SUBPROJECT} ${ADDITIONAL_LIB} ${LIBRARIES}) # install properties -install (TARGETS ${MM_PREFIX}${PROJECT} DESTINATION bin) +install (TARGETS ${MM_PREFIX}${SUBPROJECT} DESTINATION bin) diff --git a/mathmech/agl/src/main.c b/mathmech/agl/src/main.c index 83f839c..a4d1a13 100644 --- a/mathmech/agl/src/main.c +++ b/mathmech/agl/src/main.c @@ -65,7 +65,7 @@ int main(int argc, char *argv[]) { sprintf (tmp_str, " mm_agl\n"); sprintf (tmp_str, "%sProgram for create PDB file with chosen agglomerate\n", tmp_str); - sprintf (tmp_str, "%sVersion : 1.1.1 License : GPL\n", tmp_str); + sprintf (tmp_str, "%sVersion : 1.2.0 License : GPL\n", tmp_str); sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str); sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str); sprintf (tmp_str, "%sUsage:\n", tmp_str); diff --git a/mathmech/create_archive.sh b/mathmech/create_archive.sh index 6f918d2..f951ec2 100755 --- a/mathmech/create_archive.sh +++ b/mathmech/create_archive.sh @@ -1,6 +1,6 @@ #!/bin/bash -FILES="docs mathmech mm_agl mm_envir mm_radf mm_statgen mm_trj mm_trj2pdb AUTHORS CMakeLists.txt COPYING docs.cmake INSTALL" +FILES="docs mathmech mm agl envir radf statgen trj trj2pdb AUTHORS CHANGELOG CMakeLists.txt COPYING docs.cmake INSTALL" ARCHIVE="mathmech" VERSION=`grep -m1 PROJECT_VERSION_MAJOR CMakeLists.txt | awk '{print $3}' | cut -c 1`.\ `grep -m1 PROJECT_VERSION_MINOR CMakeLists.txt | awk '{print $3}' | cut -c 1`.\ diff --git a/mathmech/docs.cmake b/mathmech/docs.cmake index 4958d06..86f1e47 100644 --- a/mathmech/docs.cmake +++ b/mathmech/docs.cmake @@ -1,3 +1,3 @@ # set directory -set (PROJECT_DOCS_DIR ${CMAKE_CURRENT_SOURCE_DIR}/docs) -install (DIRECTORY ${PROJECT_DOCS_DIR} DESTINATION share/doc/${PROJECT_LONG}) +set (PROJECT_DOCS_DIR ${CMAKE_CURRENT_SOURCE_DIR}/docs/) +install (DIRECTORY ${PROJECT_DOCS_DIR} DESTINATION share/doc/${PROJECT_NAME}) diff --git a/mathmech/envir/AUTHORS b/mathmech/envir/AUTHORS deleted file mode 100644 index 2c0d60a..0000000 --- a/mathmech/envir/AUTHORS +++ /dev/null @@ -1,3 +0,0 @@ -Current developers: - -Evgeniy Alekseev aka arcanis diff --git a/mathmech/envir/CMakeLists.txt b/mathmech/envir/CMakeLists.txt index a1ff924..d2c1534 100644 --- a/mathmech/envir/CMakeLists.txt +++ b/mathmech/envir/CMakeLists.txt @@ -1,17 +1,17 @@ # set project name -set (PROJECT envir) +set (SUBPROJECT envir) # set additional cmake file -include (${PROJECT}.cmake) +include (${SUBPROJECT}.cmake) # set libraries -set (LIBRARIES "") +set (LIBRARIES mm) foreach (LIBRARY ${LIBRARIES}) - add_subdirectory (../${LIBRARY} bin/${LIBRARY}) include_directories (${CMAKE_CURRENT_SOURCE_DIR}/../${LIBRARY}/include/) + link_directories (${LIBRARY}/src/lib) endforeach () # additional targets set (TARGETS "") set (HEADERS "") -add_subdirectory (${PROJECT_SOURCE_DIR}) \ No newline at end of file +add_subdirectory (${SUBPROJECT_SOURCE_DIR}) \ No newline at end of file diff --git a/mathmech/envir/COPYING b/mathmech/envir/COPYING deleted file mode 100644 index eb47f5d..0000000 --- a/mathmech/envir/COPYING +++ /dev/null @@ -1,341 +0,0 @@ - GNU GENERAL PUBLIC LICENSE - Version 2, June 1991 - - Copyright (C) 1989, 1991 Free Software Foundation, Inc. - 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA - - Everyone is permitted to copy and distribute verbatim copies - of this license document, but changing it is not allowed. - - Preamble - - The licenses for most software are designed to take away your -freedom to share and change it. By contrast, the GNU General Public -License is intended to guarantee your freedom to share and change free -software--to make sure the software is free for all its users. This -General Public License applies to most of the Free Software -Foundation's software and to any other program whose authors commit to -using it. (Some other Free Software Foundation software is covered by -the GNU Library General Public License instead.) You can apply it to -your programs, too. - - When we speak of free software, we are referring to freedom, not -price. Our General Public Licenses are designed to make sure that you -have the freedom to distribute copies of free software (and charge for -this service if you wish), that you receive source code or can get it -if you want it, that you can change the software or use pieces of it -in new free programs; and that you know you can do these things. - - To protect your rights, we need to make restrictions that forbid -anyone to deny you these rights or to ask you to surrender the rights. -These restrictions translate to certain responsibilities for you if you -distribute copies of the software, or if you modify it. - - For example, if you distribute copies of such a program, whether -gratis or for a fee, you must give the recipients all the rights that -you have. You must make sure that they, too, receive or can get the -source code. And you must show them these terms so they know their -rights. - - We protect your rights with two steps: (1) copyright the software, and -(2) offer you this license which gives you legal permission to copy, -distribute and/or modify the software. - - Also, for each author's protection and ours, we want to make certain -that everyone understands that there is no warranty for this free -software. If the software is modified by someone else and passed on, we -want its recipients to know that what they have is not the original, so -that any problems introduced by others will not reflect on the original -authors' reputations. - - Finally, any free program is threatened constantly by software -patents. We wish to avoid the danger that redistributors of a free -program will individually obtain patent licenses, in effect making the -program proprietary. To prevent this, we have made it clear that any -patent must be licensed for everyone's free use or not licensed at all. - - The precise terms and conditions for copying, distribution and -modification follow. - - GNU GENERAL PUBLIC LICENSE - TERMS AND CONDITIONS FOR COPYING, DISTRIBUTION AND MODIFICATION - - 0. This License applies to any program or other work which contains -a notice placed by the copyright holder saying it may be distributed -under the terms of this General Public License. The "Program", below, -refers to any such program or work, and a "work based on the Program" -means either the Program or any derivative work under copyright law: -that is to say, a work containing the Program or a portion of it, -either verbatim or with modifications and/or translated into another -language. (Hereinafter, translation is included without limitation in -the term "modification".) Each licensee is addressed as "you". - -Activities other than copying, distribution and modification are not -covered by this License; they are outside its scope. The act of -running the Program is not restricted, and the output from the Program -is covered only if its contents constitute a work based on the -Program (independent of having been made by running the Program). -Whether that is true depends on what the Program does. - - 1. You may copy and distribute verbatim copies of the Program's -source code as you receive it, in any medium, provided that you -conspicuously and appropriately publish on each copy an appropriate -copyright notice and disclaimer of warranty; keep intact all the -notices that refer to this License and to the absence of any warranty; -and give any other recipients of the Program a copy of this License -along with the Program. - -You may charge a fee for the physical act of transferring a copy, and -you may at your option offer warranty protection in exchange for a fee. - - 2. You may modify your copy or copies of the Program or any portion -of it, thus forming a work based on the Program, and copy and -distribute such modifications or work under the terms of Section 1 -above, provided that you also meet all of these conditions: - - a) You must cause the modified files to carry prominent notices - stating that you changed the files and the date of any change. - - b) You must cause any work that you distribute or publish, that in - whole or in part contains or is derived from the Program or any - part thereof, to be licensed as a whole at no charge to all third - parties under the terms of this License. - - c) If the modified program normally reads commands interactively - when run, you must cause it, when started running for such - interactive use in the most ordinary way, to print or display an - announcement including an appropriate copyright notice and a - notice that there is no warranty (or else, saying that you provide - a warranty) and that users may redistribute the program under - these conditions, and telling the user how to view a copy of this - License. (Exception: if the Program itself is interactive but - does not normally print such an announcement, your work based on - the Program is not required to print an announcement.) - -These requirements apply to the modified work as a whole. If -identifiable sections of that work are not derived from the Program, -and can be reasonably considered independent and separate works in -themselves, then this License, and its terms, do not apply to those -sections when you distribute them as separate works. But when you -distribute the same sections as part of a whole which is a work based -on the Program, the distribution of the whole must be on the terms of -this License, whose permissions for other licensees extend to the -entire whole, and thus to each and every part regardless of who wrote it. - -Thus, it is not the intent of this section to claim rights or contest -your rights to work written entirely by you; rather, the intent is to -exercise the right to control the distribution of derivative or -collective works based on the Program. - -In addition, mere aggregation of another work not based on the Program -with the Program (or with a work based on the Program) on a volume of -a storage or distribution medium does not bring the other work under -the scope of this License. - - 3. You may copy and distribute the Program (or a work based on it, -under Section 2) in object code or executable form under the terms of -Sections 1 and 2 above provided that you also do one of the following: - - a) Accompany it with the complete corresponding machine-readable - source code, which must be distributed under the terms of Sections - 1 and 2 above on a medium customarily used for software interchange; or, - - b) Accompany it with a written offer, valid for at least three - years, to give any third party, for a charge no more than your - cost of physically performing source distribution, a complete - machine-readable copy of the corresponding source code, to be - distributed under the terms of Sections 1 and 2 above on a medium - customarily used for software interchange; or, - - c) Accompany it with the information you received as to the offer - to distribute corresponding source code. (This alternative is - allowed only for noncommercial distribution and only if you - received the program in object code or executable form with such - an offer, in accord with Subsection b above.) - -The source code for a work means the preferred form of the work for -making modifications to it. For an executable work, complete source -code means all the source code for all modules it contains, plus any -associated interface definition files, plus the scripts used to -control compilation and installation of the executable. However, as a -special exception, the source code distributed need not include -anything that is normally distributed (in either source or binary -form) with the major components (compiler, kernel, and so on) of the -operating system on which the executable runs, unless that component -itself accompanies the executable. - -If distribution of executable or object code is made by offering -access to copy from a designated place, then offering equivalent -access to copy the source code from the same place counts as -distribution of the source code, even though third parties are not -compelled to copy the source along with the object code. - - 4. You may not copy, modify, sublicense, or distribute the Program -except as expressly provided under this License. Any attempt -otherwise to copy, modify, sublicense or distribute the Program is -void, and will automatically terminate your rights under this License. -However, parties who have received copies, or rights, from you under -this License will not have their licenses terminated so long as such -parties remain in full compliance. - - 5. You are not required to accept this License, since you have not -signed it. However, nothing else grants you permission to modify or -distribute the Program or its derivative works. These actions are -prohibited by law if you do not accept this License. Therefore, by -modifying or distributing the Program (or any work based on the -Program), you indicate your acceptance of this License to do so, and -all its terms and conditions for copying, distributing or modifying -the Program or works based on it. - - 6. Each time you redistribute the Program (or any work based on the -Program), the recipient automatically receives a license from the -original licensor to copy, distribute or modify the Program subject to -these terms and conditions. You may not impose any further -restrictions on the recipients' exercise of the rights granted herein. -You are not responsible for enforcing compliance by third parties to -this License. - - 7. If, as a consequence of a court judgment or allegation of patent -infringement or for any other reason (not limited to patent issues), -conditions are imposed on you (whether by court order, agreement or -otherwise) that contradict the conditions of this License, they do not -excuse you from the conditions of this License. If you cannot -distribute so as to satisfy simultaneously your obligations under this -License and any other pertinent obligations, then as a consequence you -may not distribute the Program at all. For example, if a patent -license would not permit royalty-free redistribution of the Program by -all those who receive copies directly or indirectly through you, then -the only way you could satisfy both it and this License would be to -refrain entirely from distribution of the Program. - -If any portion of this section is held invalid or unenforceable under -any particular circumstance, the balance of the section is intended to -apply and the section as a whole is intended to apply in other -circumstances. - -It is not the purpose of this section to induce you to infringe any -patents or other property right claims or to contest validity of any -such claims; this section has the sole purpose of protecting the -integrity of the free software distribution system, which is -implemented by public license practices. Many people have made -generous contributions to the wide range of software distributed -through that system in reliance on consistent application of that -system; it is up to the author/donor to decide if he or she is willing -to distribute software through any other system and a licensee cannot -impose that choice. - -This section is intended to make thoroughly clear what is believed to -be a consequence of the rest of this License. - - 8. If the distribution and/or use of the Program is restricted in -certain countries either by patents or by copyrighted interfaces, the -original copyright holder who places the Program under this License -may add an explicit geographical distribution limitation excluding -those countries, so that distribution is permitted only in or among -countries not thus excluded. In such case, this License incorporates -the limitation as if written in the body of this License. - - 9. The Free Software Foundation may publish revised and/or new versions -of the General Public License from time to time. Such new versions will -be similar in spirit to the present version, but may differ in detail to -address new problems or concerns. - -Each version is given a distinguishing version number. If the Program -specifies a version number of this License which applies to it and "any -later version", you have the option of following the terms and conditions -either of that version or of any later version published by the Free -Software Foundation. If the Program does not specify a version number of -this License, you may choose any version ever published by the Free Software -Foundation. - - 10. If you wish to incorporate parts of the Program into other free -programs whose distribution conditions are different, write to the author -to ask for permission. For software which is copyrighted by the Free -Software Foundation, write to the Free Software Foundation; we sometimes -make exceptions for this. Our decision will be guided by the two goals -of preserving the free status of all derivatives of our free software and -of promoting the sharing and reuse of software generally. - - NO WARRANTY - - 11. BECAUSE THE PROGRAM IS LICENSED FREE OF CHARGE, THERE IS NO WARRANTY -FOR THE PROGRAM, TO THE EXTENT PERMITTED BY APPLICABLE LAW. EXCEPT WHEN -OTHERWISE STATED IN WRITING THE COPYRIGHT HOLDERS AND/OR OTHER PARTIES -PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY OF ANY KIND, EITHER EXPRESSED -OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF -MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE. THE ENTIRE RISK AS -TO THE QUALITY AND PERFORMANCE OF THE PROGRAM IS WITH YOU. SHOULD THE -PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF ALL NECESSARY SERVICING, -REPAIR OR CORRECTION. - - 12. IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING -WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MAY MODIFY AND/OR -REDISTRIBUTE THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, -INCLUDING ANY GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING -OUT OF THE USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED -TO LOSS OF DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY -YOU OR THIRD PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER -PROGRAMS), EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE -POSSIBILITY OF SUCH DAMAGES. - - END OF TERMS AND CONDITIONS - - How to Apply These Terms to Your New Programs - - If you develop a new program, and you want it to be of the greatest -possible use to the public, the best way to achieve this is to make it -free software which everyone can redistribute and change under these terms. - - To do so, attach the following notices to the program. It is safest -to attach them to the start of each source file to most effectively -convey the exclusion of warranty; and each file should have at least -the "copyright" line and a pointer to where the full notice is found. - - - Copyright (C) 19yy - - This program is free software; you can redistribute it and/or modify - it under the terms of the GNU General Public License as published by - the Free Software Foundation; either version 2 of the License, or - (at your option) any later version. - - This program is distributed in the hope that it will be useful, - but WITHOUT ANY WARRANTY; without even the implied warranty of - MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the - GNU General Public License for more details. - - You should have received a copy of the GNU General Public License - along with this program; if not, write to the Free Software - Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA - - -Also add information on how to contact you by electronic and paper mail. - -If the program is interactive, make it output a short notice like this -when it starts in an interactive mode: - - Gnomovision version 69, Copyright (C) 19yy name of author - Gnomovision comes with ABSOLUTELY NO WARRANTY; for details type `show w'. - This is free software, and you are welcome to redistribute it - under certain conditions; type `show c' for details. - -The hypothetical commands `show w' and `show c' should show the appropriate -parts of the General Public License. Of course, the commands you use may -be called something other than `show w' and `show c'; they could even be -mouse-clicks or menu items--whatever suits your program. - -You should also get your employer (if you work as a programmer) or your -school, if any, to sign a "copyright disclaimer" for the program, if -necessary. Here is a sample; alter the names: - - Yoyodyne, Inc., hereby disclaims all copyright interest in the program - `Gnomovision' (which makes passes at compilers) written by James Hacker. - - , 1 April 1989 - Ty Coon, President of Vice - -This General Public License does not permit incorporating your program into -proprietary programs. If your program is a subroutine library, you may -consider it more useful to permit linking proprietary applications with the -library. If this is what you want to do, use the GNU Library General -Public License instead of this License. diff --git a/mathmech/envir/INSTALL b/mathmech/envir/INSTALL deleted file mode 100644 index 93ebd11..0000000 --- a/mathmech/envir/INSTALL +++ /dev/null @@ -1,16 +0,0 @@ -CMakeFlags: - -DCMAKE_INSTALL_PREFIX= - install prefix (default is '/usr/local') - -DADD_INCLUDE=1 - install include files (default is disable) - -DADD_DOCS=1 - install documentation (default is disable) - -DWITH_DEBUG_MODE=1 - compile with flag '-g' (default is disable) - -DMM_PREFIX - prefix for mm components (test flag) - -Install for Linux: - mkdir build && cd build - cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=Release ../ - make - make install -Install for Windows: - create project file using 'cmake' - compile project -You may also download compiled executable file for Win_x86. diff --git a/mathmech/envir/README b/mathmech/envir/README index 97f9f71..f0a1e94 100644 --- a/mathmech/envir/README +++ b/mathmech/envir/README @@ -1,9 +1,9 @@ -mm_envir - program that searchs environment for chosen molecule by geometric criterion -Version: 1.1.1 +envir - program that searchs environment for chosen molecule by geometric criterion +Version: 1.2.0 License: GPL Usage: - mm_envir -i FILENAME -c X,Y,Z -o FILEMANE [ -n NUM_OF_MOLECULE ] [ -r RADIUS ] + envir -i FILENAME -c X,Y,Z -o FILEMANE [ -n NUM_OF_MOLECULE ] [ -r RADIUS ] [ -l LOGFILE ] [ -q ] [ -h ] Parametrs: diff --git a/mathmech/envir/envir.cmake b/mathmech/envir/envir.cmake index 41d797c..69badbb 100644 --- a/mathmech/envir/envir.cmake +++ b/mathmech/envir/envir.cmake @@ -1,17 +1,12 @@ # set directories -set (PROJECT_BINARY_DIR bin) -set (PROJECT_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/src) -set (PROJECT_INCLUDE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/include) -set (PROJECT_LIB_DIR ${CMAKE_CURRENT_SOURCE_DIR}/lib) +set (SUBPROJECT_BINARY_DIR bin) +set (SUBPROJECT_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/src) # include_path -include_directories (${PROJECT_INCLUDE_DIR} - ${PROJECT_SOURCE_DIR}) +include_directories (${SUBPROJECT_SOURCE_DIR}) -# library path -link_directories (${PROJECT_LIB_DIR}) # executable path -set (EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}) +set (EXECUTABLE_OUTPUT_PATH ${SUBPROJECT_BINARY_DIR}) # verbose set (CMAKE_VERBOSE_MAKEFILE ON) diff --git a/mathmech/envir/src/CMakeLists.txt b/mathmech/envir/src/CMakeLists.txt index 6b0873f..0c12b34 100644 --- a/mathmech/envir/src/CMakeLists.txt +++ b/mathmech/envir/src/CMakeLists.txt @@ -10,12 +10,12 @@ else () endif () # message -message (STATUS "${PROJECT} SOURCES: ${SOURCES}") -message (STATUS "${PROJECT} HEADERS: ${HEADERS}") +message (STATUS "${SUBPROJECT} SOURCES: ${SOURCES}") +message (STATUS "${SUBPROJECT} HEADERS: ${HEADERS}") # link libraries and compile -add_executable (${MM_PREFIX}${PROJECT} ${SOURCES} ${HEADERS}) -target_link_libraries (${MM_PREFIX}${PROJECT} ${ADDITIONAL_LIB} ${LIBRARIES}) +add_executable (${MM_PREFIX}${SUBPROJECT} ${SOURCES} ${HEADERS}) +target_link_libraries (${MM_PREFIX}${SUBPROJECT} ${ADDITIONAL_LIB} ${LIBRARIES}) # install properties -install (TARGETS ${MM_PREFIX}${PROJECT} DESTINATION bin) +install (TARGETS ${MM_PREFIX}${SUBPROJECT} DESTINATION bin) diff --git a/mathmech/envir/src/main.c b/mathmech/envir/src/main.c index 9e43c3e..76b85cf 100644 --- a/mathmech/envir/src/main.c +++ b/mathmech/envir/src/main.c @@ -65,7 +65,7 @@ int main(int argc, char *argv[]) { sprintf (tmp_str, " mm_envir\n"); sprintf (tmp_str, "%sProgram for search environment for chosen molecule by geometric criterion\n", tmp_str); - sprintf (tmp_str, "%sVersion : 1.1.1 License : GPL\n", tmp_str); + sprintf (tmp_str, "%sVersion : 1.2.0 License : GPL\n", tmp_str); sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str); sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str); sprintf (tmp_str, "%sUsage:\n", tmp_str); diff --git a/mathmech/mathmech/AUTHORS b/mathmech/mathmech/AUTHORS deleted file mode 100644 index 2c0d60a..0000000 --- a/mathmech/mathmech/AUTHORS +++ /dev/null @@ -1,3 +0,0 @@ -Current developers: - -Evgeniy Alekseev aka arcanis diff --git a/mathmech/mathmech/CMakeLists.txt b/mathmech/mathmech/CMakeLists.txt index 813c760..8764c05 100644 --- a/mathmech/mathmech/CMakeLists.txt +++ b/mathmech/mathmech/CMakeLists.txt @@ -1,20 +1,14 @@ # set project name -set (PROJECT mathmech) +set (SUBPROJECT mathmech) # set additional cmake file -include (${PROJECT}.cmake) +include (${SUBPROJECT}.cmake) # additional options option (WITH_DEBUG_MODE "Build with debug mode" OFF) -# set libraries -set (LIBRARIES "") -foreach (LIBRARY ${LIBRARIES}) - add_subdirectory (../${LIBRARY} lib/${LIBRARY}) -endforeach () - # additional targets set (TARGETS "") set (HEADERS "") -add_subdirectory (${PROJECT_SOURCE_DIR}) \ No newline at end of file +add_subdirectory (${SUBPROJECT_SOURCE_DIR}) \ No newline at end of file diff --git a/mathmech/mathmech/COPYING b/mathmech/mathmech/COPYING deleted file mode 100644 index eb47f5d..0000000 --- a/mathmech/mathmech/COPYING +++ /dev/null @@ -1,341 +0,0 @@ - GNU GENERAL PUBLIC LICENSE - Version 2, June 1991 - - Copyright (C) 1989, 1991 Free Software Foundation, Inc. - 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA - - Everyone is permitted to copy and distribute verbatim copies - of this license document, but changing it is not allowed. - - Preamble - - The licenses for most software are designed to take away your -freedom to share and change it. By contrast, the GNU General Public -License is intended to guarantee your freedom to share and change free -software--to make sure the software is free for all its users. This -General Public License applies to most of the Free Software -Foundation's software and to any other program whose authors commit to -using it. (Some other Free Software Foundation software is covered by -the GNU Library General Public License instead.) You can apply it to -your programs, too. - - When we speak of free software, we are referring to freedom, not -price. Our General Public Licenses are designed to make sure that you -have the freedom to distribute copies of free software (and charge for -this service if you wish), that you receive source code or can get it -if you want it, that you can change the software or use pieces of it -in new free programs; and that you know you can do these things. - - To protect your rights, we need to make restrictions that forbid -anyone to deny you these rights or to ask you to surrender the rights. -These restrictions translate to certain responsibilities for you if you -distribute copies of the software, or if you modify it. - - For example, if you distribute copies of such a program, whether -gratis or for a fee, you must give the recipients all the rights that -you have. You must make sure that they, too, receive or can get the -source code. And you must show them these terms so they know their -rights. - - We protect your rights with two steps: (1) copyright the software, and -(2) offer you this license which gives you legal permission to copy, -distribute and/or modify the software. - - Also, for each author's protection and ours, we want to make certain -that everyone understands that there is no warranty for this free -software. If the software is modified by someone else and passed on, we -want its recipients to know that what they have is not the original, so -that any problems introduced by others will not reflect on the original -authors' reputations. - - Finally, any free program is threatened constantly by software -patents. We wish to avoid the danger that redistributors of a free -program will individually obtain patent licenses, in effect making the -program proprietary. To prevent this, we have made it clear that any -patent must be licensed for everyone's free use or not licensed at all. - - The precise terms and conditions for copying, distribution and -modification follow. - - GNU GENERAL PUBLIC LICENSE - TERMS AND CONDITIONS FOR COPYING, DISTRIBUTION AND MODIFICATION - - 0. This License applies to any program or other work which contains -a notice placed by the copyright holder saying it may be distributed -under the terms of this General Public License. The "Program", below, -refers to any such program or work, and a "work based on the Program" -means either the Program or any derivative work under copyright law: -that is to say, a work containing the Program or a portion of it, -either verbatim or with modifications and/or translated into another -language. (Hereinafter, translation is included without limitation in -the term "modification".) Each licensee is addressed as "you". - -Activities other than copying, distribution and modification are not -covered by this License; they are outside its scope. The act of -running the Program is not restricted, and the output from the Program -is covered only if its contents constitute a work based on the -Program (independent of having been made by running the Program). -Whether that is true depends on what the Program does. - - 1. You may copy and distribute verbatim copies of the Program's -source code as you receive it, in any medium, provided that you -conspicuously and appropriately publish on each copy an appropriate -copyright notice and disclaimer of warranty; keep intact all the -notices that refer to this License and to the absence of any warranty; -and give any other recipients of the Program a copy of this License -along with the Program. - -You may charge a fee for the physical act of transferring a copy, and -you may at your option offer warranty protection in exchange for a fee. - - 2. You may modify your copy or copies of the Program or any portion -of it, thus forming a work based on the Program, and copy and -distribute such modifications or work under the terms of Section 1 -above, provided that you also meet all of these conditions: - - a) You must cause the modified files to carry prominent notices - stating that you changed the files and the date of any change. - - b) You must cause any work that you distribute or publish, that in - whole or in part contains or is derived from the Program or any - part thereof, to be licensed as a whole at no charge to all third - parties under the terms of this License. - - c) If the modified program normally reads commands interactively - when run, you must cause it, when started running for such - interactive use in the most ordinary way, to print or display an - announcement including an appropriate copyright notice and a - notice that there is no warranty (or else, saying that you provide - a warranty) and that users may redistribute the program under - these conditions, and telling the user how to view a copy of this - License. (Exception: if the Program itself is interactive but - does not normally print such an announcement, your work based on - the Program is not required to print an announcement.) - -These requirements apply to the modified work as a whole. If -identifiable sections of that work are not derived from the Program, -and can be reasonably considered independent and separate works in -themselves, then this License, and its terms, do not apply to those -sections when you distribute them as separate works. But when you -distribute the same sections as part of a whole which is a work based -on the Program, the distribution of the whole must be on the terms of -this License, whose permissions for other licensees extend to the -entire whole, and thus to each and every part regardless of who wrote it. - -Thus, it is not the intent of this section to claim rights or contest -your rights to work written entirely by you; rather, the intent is to -exercise the right to control the distribution of derivative or -collective works based on the Program. - -In addition, mere aggregation of another work not based on the Program -with the Program (or with a work based on the Program) on a volume of -a storage or distribution medium does not bring the other work under -the scope of this License. - - 3. You may copy and distribute the Program (or a work based on it, -under Section 2) in object code or executable form under the terms of -Sections 1 and 2 above provided that you also do one of the following: - - a) Accompany it with the complete corresponding machine-readable - source code, which must be distributed under the terms of Sections - 1 and 2 above on a medium customarily used for software interchange; or, - - b) Accompany it with a written offer, valid for at least three - years, to give any third party, for a charge no more than your - cost of physically performing source distribution, a complete - machine-readable copy of the corresponding source code, to be - distributed under the terms of Sections 1 and 2 above on a medium - customarily used for software interchange; or, - - c) Accompany it with the information you received as to the offer - to distribute corresponding source code. (This alternative is - allowed only for noncommercial distribution and only if you - received the program in object code or executable form with such - an offer, in accord with Subsection b above.) - -The source code for a work means the preferred form of the work for -making modifications to it. For an executable work, complete source -code means all the source code for all modules it contains, plus any -associated interface definition files, plus the scripts used to -control compilation and installation of the executable. However, as a -special exception, the source code distributed need not include -anything that is normally distributed (in either source or binary -form) with the major components (compiler, kernel, and so on) of the -operating system on which the executable runs, unless that component -itself accompanies the executable. - -If distribution of executable or object code is made by offering -access to copy from a designated place, then offering equivalent -access to copy the source code from the same place counts as -distribution of the source code, even though third parties are not -compelled to copy the source along with the object code. - - 4. You may not copy, modify, sublicense, or distribute the Program -except as expressly provided under this License. Any attempt -otherwise to copy, modify, sublicense or distribute the Program is -void, and will automatically terminate your rights under this License. -However, parties who have received copies, or rights, from you under -this License will not have their licenses terminated so long as such -parties remain in full compliance. - - 5. You are not required to accept this License, since you have not -signed it. However, nothing else grants you permission to modify or -distribute the Program or its derivative works. These actions are -prohibited by law if you do not accept this License. Therefore, by -modifying or distributing the Program (or any work based on the -Program), you indicate your acceptance of this License to do so, and -all its terms and conditions for copying, distributing or modifying -the Program or works based on it. - - 6. Each time you redistribute the Program (or any work based on the -Program), the recipient automatically receives a license from the -original licensor to copy, distribute or modify the Program subject to -these terms and conditions. You may not impose any further -restrictions on the recipients' exercise of the rights granted herein. -You are not responsible for enforcing compliance by third parties to -this License. - - 7. If, as a consequence of a court judgment or allegation of patent -infringement or for any other reason (not limited to patent issues), -conditions are imposed on you (whether by court order, agreement or -otherwise) that contradict the conditions of this License, they do not -excuse you from the conditions of this License. If you cannot -distribute so as to satisfy simultaneously your obligations under this -License and any other pertinent obligations, then as a consequence you -may not distribute the Program at all. For example, if a patent -license would not permit royalty-free redistribution of the Program by -all those who receive copies directly or indirectly through you, then -the only way you could satisfy both it and this License would be to -refrain entirely from distribution of the Program. - -If any portion of this section is held invalid or unenforceable under -any particular circumstance, the balance of the section is intended to -apply and the section as a whole is intended to apply in other -circumstances. - -It is not the purpose of this section to induce you to infringe any -patents or other property right claims or to contest validity of any -such claims; this section has the sole purpose of protecting the -integrity of the free software distribution system, which is -implemented by public license practices. Many people have made -generous contributions to the wide range of software distributed -through that system in reliance on consistent application of that -system; it is up to the author/donor to decide if he or she is willing -to distribute software through any other system and a licensee cannot -impose that choice. - -This section is intended to make thoroughly clear what is believed to -be a consequence of the rest of this License. - - 8. If the distribution and/or use of the Program is restricted in -certain countries either by patents or by copyrighted interfaces, the -original copyright holder who places the Program under this License -may add an explicit geographical distribution limitation excluding -those countries, so that distribution is permitted only in or among -countries not thus excluded. In such case, this License incorporates -the limitation as if written in the body of this License. - - 9. The Free Software Foundation may publish revised and/or new versions -of the General Public License from time to time. Such new versions will -be similar in spirit to the present version, but may differ in detail to -address new problems or concerns. - -Each version is given a distinguishing version number. If the Program -specifies a version number of this License which applies to it and "any -later version", you have the option of following the terms and conditions -either of that version or of any later version published by the Free -Software Foundation. If the Program does not specify a version number of -this License, you may choose any version ever published by the Free Software -Foundation. - - 10. If you wish to incorporate parts of the Program into other free -programs whose distribution conditions are different, write to the author -to ask for permission. For software which is copyrighted by the Free -Software Foundation, write to the Free Software Foundation; we sometimes -make exceptions for this. Our decision will be guided by the two goals -of preserving the free status of all derivatives of our free software and -of promoting the sharing and reuse of software generally. - - NO WARRANTY - - 11. BECAUSE THE PROGRAM IS LICENSED FREE OF CHARGE, THERE IS NO WARRANTY -FOR THE PROGRAM, TO THE EXTENT PERMITTED BY APPLICABLE LAW. EXCEPT WHEN -OTHERWISE STATED IN WRITING THE COPYRIGHT HOLDERS AND/OR OTHER PARTIES -PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY OF ANY KIND, EITHER EXPRESSED -OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF -MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE. THE ENTIRE RISK AS -TO THE QUALITY AND PERFORMANCE OF THE PROGRAM IS WITH YOU. SHOULD THE -PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF ALL NECESSARY SERVICING, -REPAIR OR CORRECTION. - - 12. IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING -WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MAY MODIFY AND/OR -REDISTRIBUTE THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, -INCLUDING ANY GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING -OUT OF THE USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED -TO LOSS OF DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY -YOU OR THIRD PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER -PROGRAMS), EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE -POSSIBILITY OF SUCH DAMAGES. - - END OF TERMS AND CONDITIONS - - How to Apply These Terms to Your New Programs - - If you develop a new program, and you want it to be of the greatest -possible use to the public, the best way to achieve this is to make it -free software which everyone can redistribute and change under these terms. - - To do so, attach the following notices to the program. It is safest -to attach them to the start of each source file to most effectively -convey the exclusion of warranty; and each file should have at least -the "copyright" line and a pointer to where the full notice is found. - - - Copyright (C) 19yy - - This program is free software; you can redistribute it and/or modify - it under the terms of the GNU General Public License as published by - the Free Software Foundation; either version 2 of the License, or - (at your option) any later version. - - This program is distributed in the hope that it will be useful, - but WITHOUT ANY WARRANTY; without even the implied warranty of - MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the - GNU General Public License for more details. - - You should have received a copy of the GNU General Public License - along with this program; if not, write to the Free Software - Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA - - -Also add information on how to contact you by electronic and paper mail. - -If the program is interactive, make it output a short notice like this -when it starts in an interactive mode: - - Gnomovision version 69, Copyright (C) 19yy name of author - Gnomovision comes with ABSOLUTELY NO WARRANTY; for details type `show w'. - This is free software, and you are welcome to redistribute it - under certain conditions; type `show c' for details. - -The hypothetical commands `show w' and `show c' should show the appropriate -parts of the General Public License. Of course, the commands you use may -be called something other than `show w' and `show c'; they could even be -mouse-clicks or menu items--whatever suits your program. - -You should also get your employer (if you work as a programmer) or your -school, if any, to sign a "copyright disclaimer" for the program, if -necessary. Here is a sample; alter the names: - - Yoyodyne, Inc., hereby disclaims all copyright interest in the program - `Gnomovision' (which makes passes at compilers) written by James Hacker. - - , 1 April 1989 - Ty Coon, President of Vice - -This General Public License does not permit incorporating your program into -proprietary programs. If your program is a subroutine library, you may -consider it more useful to permit linking proprietary applications with the -library. If this is what you want to do, use the GNU Library General -Public License instead of this License. diff --git a/mathmech/mathmech/INSTALL b/mathmech/mathmech/INSTALL deleted file mode 100644 index d795c98..0000000 --- a/mathmech/mathmech/INSTALL +++ /dev/null @@ -1,16 +0,0 @@ -CMakeFlags: - -DCMAKE_INSTALL_PREFIX= - install prefix (default is '/usr/local') - -DWITH_DEBUG_MODE=1 - compile with flag '-g' (default is disable) - -DQWT_INCLUDE_PATH - path to qwt includes - -DQWT_LIBRARY_PATH - path to qwt library - -Install for Linux: - mkdir build && cd build - cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=Release ../ - make - make install -Install for Windows: - create project file using 'cmake' - compile project - copy QtCore4.dll, QtGui4.dll, QtOpenGL4.dll, QtSvg4.dll, qwt.dll to directory with mathmech -You may also download compiled executable file for Win_x86. diff --git a/mathmech/mathmech/README b/mathmech/mathmech/README index 69d1415..b20b854 100644 --- a/mathmech/mathmech/README +++ b/mathmech/mathmech/README @@ -1,3 +1,3 @@ Mathematical Molecular Mechanics is GUI for "mm" program pack -Version: 1.1.1 +Version: 1.2.0 License: GPL diff --git a/mathmech/mathmech/mathmech.cmake b/mathmech/mathmech/mathmech.cmake index 6794343..40e1a5c 100644 --- a/mathmech/mathmech/mathmech.cmake +++ b/mathmech/mathmech/mathmech.cmake @@ -1,13 +1,11 @@ # set directories -set (PROJECT_BINARY_DIR bin) -set (PROJECT_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/src) -set (PROJECT_RESOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/resources) -set (PROJECT_TRANSLATION_DIR ${PROJECT_RESOURCE_DIR}/translations) +set (SUBPROJECT_BINARY_DIR bin) +set (SUBPROJECT_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/src) +set (SUBPROJECT_RESOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/resources) +set (SUBPROJECT_TRANSLATION_DIR ${SUBPROJECT_RESOURCE_DIR}/translations) -# library path -link_directories (${PROJECT_LIB_DIR}) # executable path -set (EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}) +set (EXECUTABLE_OUTPUT_PATH ${SUBPROJECT_BINARY_DIR}) # verbose set (CMAKE_VERBOSE_MAKEFILE ON) diff --git a/mathmech/mathmech/resources/translations/eng.ts b/mathmech/mathmech/resources/translations/eng.ts index 342e0e1..49eef1c 100644 --- a/mathmech/mathmech/resources/translations/eng.ts +++ b/mathmech/mathmech/resources/translations/eng.ts @@ -29,7 +29,7 @@ p, li { white-space: pre-wrap; } </style></head><body style=" font-family:'Liberation Serif'; font-size:10pt; font-weight:400; font-style:normal;"> <p align="center" style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Mathematical Molecular Mechanics</span></p> <p style="-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /></p> -<p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Version:</span> 1.1.1</p> +<p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Version:</span> 1.2.0</p> <p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">License:</span> GPL</p> <p style="-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /></p> <p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Author:</span> Evgeniy Alekseev</p> @@ -604,7 +604,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Usage</span><br />mm_statgen -i MASK -s NUMBER,NUMBER -c X,Y,Z -a FORMAT -r FORMAT -o FILE [ -g NUMBER ] [ -l FILE ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Parametrs</span><br />-i MASK – mask of trajectory files<br />-s NUMBER,NUMBER – first and last trajectory steps<br />-c X,Y,Z – cell size, A<br />-a FORMAT – numerical atom types. Maximum number of different atom types is 4. Types are comma separated<br />-r FORMAT – criteria, A. This flag can be used multiple times. Different interactions are comma separated. Type interaction, colon character, criterion. For example &quot;0-0:2.4,0-1:3.0&quot; means set 0-0 interaction as &lt;2.4 А and 0-1 interaction as &lt;3.0 A<br />-o FILE – output file<br />-g NUMBER – chech graph isomorphism. NUMBER is a maximum depth for search cycles (&gt;= 3)<br />-l FILE – print log to specified file<br />-q – do not print messages to STDOUT<br />-h – show this help and exit</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">File formats</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Output file (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;statgen ::: V.1.1.1&quot;. Blank line.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;statgen ::: V.1.2.0&quot;. Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The configuration block &quot;CONFIGURATION ... END&quot;. Print log (LOG=1), do not print messages to STDOUT (QUIET=1), mask of trajectory files (MASK=mask), first (FIRST=1) and last (LAST=1) trajectory steps, sell size (CELL=1.0000,2.0000,3.0000), atom types (ATOMS=1,2,3,4), interactions (INTERACTION=format), maximum depth for check cycle number (DEPTH=0, 0 - do not check graph isomorphism). Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The enumeration of statistics on individual files.<br />File name (FILE=mask.001), the statistic block for file &quot;STATISTIC ... -----------------&quot;. Table layout (2 rows) follows after specifying the block. The table format<br /> 0000001 0000001 <br />Space, agglomerate size (7 characters), space, number of agglomerates of this size in the file (7 characters).<br />The enumeration of agglomerates in the file. Agglomerate title (AGL=2=1.3.4.) (1 – number of molecules in the agglomerate, 1.3.4. – agglomerate class, if verification of isomorphism is specified). The enumeration of molecules in the agglomerate. (0000001=2,3,4,5,) (1 – number of molecule (7 characters), equal sign, the enumeration of connected molecules separated by commas).</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The summary statistic block «SUMMARY STATISTIC … ------------------------------------------------». Table layout (2 rows) follows after specifying the block. The table format<br /> 0000001 0000002 000003.00 004.00000 0005.00000<br />Space, agglomerate size (7 characters), space, total number of agglomerates of this size (7 characters), space, average concentration of agglomerates of this size (9 characters, 2 decimal part), space, probability of finding molecules in agglomerates of this size (9 characters, 5 decimal part), space, probability of finding molecules in agglomerates of this size multiplied by the size (10 characters, 5 decimal part).</li> @@ -633,7 +633,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Usage</span><br />mm_statgen -i MASK -s NUMBER,NUMBER -c X,Y,Z -a FORMAT -r FORMAT -o FILE [ -g NUMBER ] [ -l FILE ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Parametrs</span><br />-i MASK – mask of trajectory files<br />-s NUMBER,NUMBER – first and last trajectory steps<br />-c X,Y,Z – cell size, A<br />-a FORMAT – numerical atom types. Maximum number of different atom types is 4. Types are comma separated<br />-r FORMAT – criteria, A. This flag can be used multiple times. Different interactions are comma separated. Type interaction, colon character, criterion. For example &quot;0-0:2.4,0-1:3.0&quot; means set 0-0 interaction as &lt;2.4 А and 0-1 interaction as &lt;3.0 A<br />-o FILE – output file<br />-g NUMBER – chech graph isomorphism. NUMBER is a maximum depth for search cycles (&gt;= 3)<br />-l FILE – print log to specified file<br />-q – do not print messages to STDOUT<br />-h – show this help and exit</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">File formats</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Output file (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;statgen ::: V.1.1.1&quot;. Blank line.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;statgen ::: V.1.2.0&quot;. Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The configuration block &quot;CONFIGURATION ... END&quot;. Print log (LOG=1), do not print messages to STDOUT (QUIET=1), mask of trajectory files (MASK=mask), first (FIRST=1) and last (LAST=1) trajectory steps, sell size (CELL=1.0000,2.0000,3.0000), atom types (ATOMS=1,2,3,4), interactions (INTERACTION=format), maximum depth for check cycle number (DEPTH=0, 0 - do not check graph isomorphism). Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The enumeration of statistics on individual files.<br />File name (FILE=mask.001), the statistic block for file &quot;STATISTIC ... -----------------&quot;. Table layout (2 rows) follows after specifying the block. The table format<br /> 0000001 0000001 <br />Space, agglomerate size (7 characters), space, number of agglomerates of this size in the file (7 characters).<br />The enumeration of agglomerates in the file. Agglomerate title (AGL=2=1.3.4.) (1 – number of molecules in the agglomerate, 1.3.4. – agglomerate class, if verification of isomorphism is specified). The enumeration of molecules in the agglomerate. (0000001=2,3,4,5,) (1 – number of molecule (7 characters), equal sign, the enumeration of connected molecules separated by commas).</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The summary statistic block «SUMMARY STATISTIC … ------------------------------------------------». Table layout (2 rows) follows after specifying the block. The table format<br /> 0000001 0000002 000003.00 004.00000 0005.00000<br />Space, agglomerate size (7 characters), space, total number of agglomerates of this size (7 characters), space, average concentration of agglomerates of this size (9 characters, 2 decimal part), space, probability of finding molecules in agglomerates of this size (9 characters, 5 decimal part), space, probability of finding molecules in agglomerates of this size multiplied by the size (10 characters, 5 decimal part).</li> @@ -732,7 +732,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Usage</span><br />mm_radf -i MASK -s NUMBER,NUMBER -c X,Y,Z -at FORMAT -o FILE [ -r NUMBER,NUMBER ] [ -rs NUMBER ] [ -a NUMBER,NUMBER ] [ -as NUMBER ] [ -m ] [ -l FILE ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Parametrs</span><br />-i MASK – mask of trajectory files<br />-s NUMBER,NUMBER – first and last trajectory steps<br />-c X,Y,Z – cell size, A<br />-at FORMAT – numerical atom types between which the function is constructed. Format is &quot;1-2&quot; or &quot;1,2,3-4,5,6&quot; (automatically enable calculation of radial distribution function between centers of mass)<br />-o FILE – output file<br />-r NUMBER,NUMBER – radial criteria. Default is 2.0 and 15.0<br />-rs NUMBER – radius change step. Default is 0.2<br />-a NUMBER,NUMBER – angular criteria. Default is 0.0 and 90.0<br />-as NUMBER – angle change step. This option will enable calculation of radial-angles distribution function<br />-as – enable matrix output<br />-l FILE – print log to specified file<br />-q – do not print messages to STDOUT<br />-h – show this help and exit</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">File formats</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Output file (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;radf ::: V.1.1.1&quot;. Blank line.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;radf ::: V.1.2.0&quot;. Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The configuration block &quot;CONFIGURATION ... END&quot;. Print log (LOG=1), do not print messages to STDOUT (QUIET=1), matrix output (MATRIX=1), mask of trajectory files (MASK=mask), first (FIRST=1) and last (LAST=1) trajectory steps, sell size (CELL=1.0000,2.0000,3.0000), mode (MODE=0) (0 – radial distribution function, 1 – radial distribution function between centers of mass, 2 – radial-angles distribution function), radial criteria (R_MIN=0.100) (R_MAX=0.100) (R_STEP=0.100), angular criteria for radial-angles distribution function (ANG_MIN=0.10) (ANG_MAX=0.10) (ANG_STEP=0.10), atom types (ATOM=1-2) or (ATOM=1,2,3-4,5,6). Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The results block «SUMMARY STATISTIC … ------------------------------------------------». Table layout (2 rows) follows after specifying the block if matrix output disables.<br />The table format for radial distribution function (matrix output disables)<br /> 0001.0000 2.0000e-01 000000003 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, sphere volume (10 characters, 4 decimal part), space, number of molecules in this radius (9 characters), space, radial distribution function (9 characters, 6 decimal part).<br />The table format for radial distribution function (matrix output enables)<br /> 0001.0000 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, radial distribution function (9 characters, 6 decimal part).<br />The table format for radial-angles distribution function (matrix output disables)<br /> 0001.0000 000005.00 2.0000e-01 000000003 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, segment angle (9 characters, 2 decimal part), segment volume (10 characters, 4 decimal part), space, number of molecules in this segment (9 characters), space, radial-angles distribution function (9 characters, 6 decimal part).<br />The table format for radial-angles distribution function (matrix output enables). Segment angle (9 characters, 2 decimal part) is shown in the title<br /> 0001.0000 04.000000 ...<br />Space, sphere radius (9 characters, 4 decimal part), space, radial-angles distribution function (9 characters, 6 decimal part) separated by spaces.</li> <li style=" margin-top:0px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">End of the table</li></ul> @@ -759,7 +759,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Usage</span><br />mm_radf -i MASK -s NUMBER,NUMBER -c X,Y,Z -at FORMAT -o FILE [ -r NUMBER,NUMBER ] [ -rs NUMBER ] [ -a NUMBER,NUMBER ] [ -as NUMBER ] [ -m ] [ -l FILE ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Parametrs</span><br />-i MASK – mask of trajectory files<br />-s NUMBER,NUMBER – first and last trajectory steps<br />-c X,Y,Z – cell size, A<br />-at FORMAT – numerical atom types between which the function is constructed. Format is &quot;1-2&quot; or &quot;1,2,3-4,5,6&quot; (automatically enable calculation of radial distribution function between centers of mass)<br />-o FILE – output file<br />-r NUMBER,NUMBER – radial criteria. Default is 2.0 and 15.0<br />-rs NUMBER – radius change step. Default is 0.2<br />-a NUMBER,NUMBER – angular criteria. Default is 0.0 and 90.0<br />-as NUMBER – angle change step. This option will enable calculation of radial-angles distribution function<br />-as – enable matrix output<br />-l FILE – print log to specified file<br />-q – do not print messages to STDOUT<br />-h – show this help and exit</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">File formats</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Output file (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;radf ::: V.1.1.1&quot;. Blank line.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;radf ::: V.1.2.0&quot;. Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The configuration block &quot;CONFIGURATION ... END&quot;. Print log (LOG=1), do not print messages to STDOUT (QUIET=1), matrix output (MATRIX=1), mask of trajectory files (MASK=mask), first (FIRST=1) and last (LAST=1) trajectory steps, sell size (CELL=1.0000,2.0000,3.0000), mode (MODE=0) (0 – radial distribution function, 1 – radial distribution function between centers of mass, 2 – radial-angles distribution function), radial criteria (R_MIN=0.100) (R_MAX=0.100) (R_STEP=0.100), angular criteria for radial-angles distribution function (ANG_MIN=0.10) (ANG_MAX=0.10) (ANG_STEP=0.10), atom types (ATOM=1-2) or (ATOM=1,2,3-4,5,6). Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The results block «SUMMARY STATISTIC … ------------------------------------------------». Table layout (2 rows) follows after specifying the block if matrix output disables.<br />The table format for radial distribution function (matrix output disables)<br /> 0001.0000 2.0000e-01 000000003 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, sphere volume (10 characters, 4 decimal part), space, number of molecules in this radius (9 characters), space, radial distribution function (9 characters, 6 decimal part).<br />The table format for radial distribution function (matrix output enables)<br /> 0001.0000 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, radial distribution function (9 characters, 6 decimal part).<br />The table format for radial-angles distribution function (matrix output disables)<br /> 0001.0000 000005.00 2.0000e-01 000000003 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, segment angle (9 characters, 2 decimal part), segment volume (10 characters, 4 decimal part), space, number of molecules in this segment (9 characters), space, radial-angles distribution function (9 characters, 6 decimal part).<br />The table format for radial-angles distribution function (matrix output enables). Segment angle (9 characters, 2 decimal part) is shown in the title<br /> 0001.0000 04.000000 ...<br />Space, sphere radius (9 characters, 4 decimal part), space, radial-angles distribution function (9 characters, 6 decimal part) separated by spaces.</li> <li style=" margin-top:0px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">End of the table</li></ul> @@ -924,7 +924,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Usage</span><br />mm_statgen -i MASK -s NUMBER,NUMBER -c X,Y,Z -a FORMAT -r FORMAT -o FILE [ -g NUMBER ] [ -l FILE ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Parametrs</span><br />-i MASK – mask of trajectory files<br />-s NUMBER,NUMBER – first and last trajectory steps<br />-c X,Y,Z – cell size, A<br />-a FORMAT – numerical atom types. Maximum number of different atom types is 4. Types are comma separated<br />-r FORMAT – criteria, A. This flag can be used multiple times. Different interactions are comma separated. Type interaction, colon character, criterion. For example &quot;0-0:2.4,0-1:3.0&quot; means set 0-0 interaction as &lt;2.4 А and 0-1 interaction as &lt;3.0 A<br />-o FILE – output file<br />-g NUMBER – chech graph isomorphism. NUMBER is a maximum depth for search cycles (&gt;= 3)<br />-l FILE – print log to specified file<br />-q – do not print messages to STDOUT<br />-h – show this help and exit</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">File formats</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Output file (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;statgen ::: V.1.1.1&quot;. Blank line.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;statgen ::: V.1.2.0&quot;. Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The configuration block &quot;CONFIGURATION ... END&quot;. Print log (LOG=1), do not print messages to STDOUT (QUIET=1), mask of trajectory files (MASK=mask), first (FIRST=1) and last (LAST=1) trajectory steps, sell size (CELL=1.0000,2.0000,3.0000), atom types (ATOMS=1,2,3,4), interactions (INTERACTION=format), maximum depth for check cycle number (DEPTH=0, 0 - do not check graph isomorphism). Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The enumeration of statistics on individual files.<br />File name (FILE=mask.001), the statistic block for file &quot;STATISTIC ... -----------------&quot;. Table layout (2 rows) follows after specifying the block. The table format<br /> 0000001 0000001 <br />Space, agglomerate size (7 characters), space, number of agglomerates of this size in the file (7 characters).<br />The enumeration of agglomerates in the file. Agglomerate title (AGL=2=1.3.4.) (1 – number of molecules in the agglomerate, 1.3.4. – agglomerate class, if verification of isomorphism is specified). The enumeration of molecules in the agglomerate. (0000001=2,3,4,5,) (1 – number of molecule (7 characters), equal sign, the enumeration of connected molecules separated by commas).</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The summary statistic block &quot;SUMMARY STATISTIC … ------------------------------------------------&quot;. Table layout (2 rows) follows after specifying the block. The table format<br /> 0000001 0000002 000003.00 004.00000 0005.00000<br />Space, agglomerate size (7 characters), space, total number of agglomerates of this size (7 characters), space, average concentration of agglomerates of this size (9 characters, 2 decimal part), space, probability of finding molecules in agglomerates of this size (9 characters, 5 decimal part), space, probability of finding molecules in agglomerates of this size multiplied by the size (10 characters, 5 decimal part).</li> @@ -953,7 +953,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Usage</span><br />mm_statgen -i MASK -s NUMBER,NUMBER -c X,Y,Z -a FORMAT -r FORMAT -o FILE [ -g NUMBER ] [ -l FILE ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Parametrs</span><br />-i MASK – mask of trajectory files<br />-s NUMBER,NUMBER – first and last trajectory steps<br />-c X,Y,Z – cell size, A<br />-a FORMAT – numerical atom types. Maximum number of different atom types is 4. Types are comma separated<br />-r FORMAT – criteria, A. This flag can be used multiple times. Different interactions are comma separated. Type interaction, colon character, criterion. For example &quot;0-0:2.4,0-1:3.0&quot; means set 0-0 interaction as &lt;2.4 А and 0-1 interaction as &lt;3.0 A<br />-o FILE – output file<br />-g NUMBER – chech graph isomorphism. NUMBER is a maximum depth for search cycles (&gt;= 3)<br />-l FILE – print log to specified file<br />-q – do not print messages to STDOUT<br />-h – show this help and exit</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">File formats</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Output file (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;statgen ::: V.1.1.1&quot;. Blank line.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;statgen ::: V.1.2.0&quot;. Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The configuration block &quot;CONFIGURATION ... END&quot;. Print log (LOG=1), do not print messages to STDOUT (QUIET=1), mask of trajectory files (MASK=mask), first (FIRST=1) and last (LAST=1) trajectory steps, sell size (CELL=1.0000,2.0000,3.0000), atom types (ATOMS=1,2,3,4), interactions (INTERACTION=format), maximum depth for check cycle number (DEPTH=0, 0 - do not check graph isomorphism). Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The enumeration of statistics on individual files.<br />File name (FILE=mask.001), the statistic block for file &quot;STATISTIC ... -----------------&quot;. Table layout (2 rows) follows after specifying the block. The table format<br /> 0000001 0000001 <br />Space, agglomerate size (7 characters), space, number of agglomerates of this size in the file (7 characters).<br />The enumeration of agglomerates in the file. Agglomerate title (AGL=2=1.3.4.) (1 – number of molecules in the agglomerate, 1.3.4. – agglomerate class, if verification of isomorphism is specified). The enumeration of molecules in the agglomerate. (0000001=2,3,4,5,) (1 – number of molecule (7 characters), equal sign, the enumeration of connected molecules separated by commas).</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The summary statistic block &quot;SUMMARY STATISTIC … ------------------------------------------------&quot;. Table layout (2 rows) follows after specifying the block. The table format<br /> 0000001 0000002 000003.00 004.00000 0005.00000<br />Space, agglomerate size (7 characters), space, total number of agglomerates of this size (7 characters), space, average concentration of agglomerates of this size (9 characters, 2 decimal part), space, probability of finding molecules in agglomerates of this size (9 characters, 5 decimal part), space, probability of finding molecules in agglomerates of this size multiplied by the size (10 characters, 5 decimal part).</li> @@ -1034,7 +1034,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Usage</span><br />mm_radf -i MASK -s NUMBER,NUMBER -c X,Y,Z -at FORMAT -o FILE [ -r NUMBER,NUMBER ] [ -rs NUMBER ] [ -a NUMBER,NUMBER ] [ -as NUMBER ] [ -m ] [ -l FILE ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Parametrs</span><br />-i MASK – mask of trajectory files<br />-s NUMBER,NUMBER – first and last trajectory steps<br />-c X,Y,Z – cell size, A<br />-at FORMAT – numerical atom types between which the function is calculated. Format is &quot;1-2&quot; or &quot;1,2,3-4,5,6&quot; (automatically enable calculation of radial distribution function between centers of mass)<br />-o FILE – output file<br />-r NUMBER,NUMBER – radial criteria, A. Default is 2.0 and 15.0<br />-rs NUMBER – radius change step, A. Default is 0.2<br />-a NUMBER,NUMBER – angular criteria, deg. Default is 0.0 and 90.0<br />-as NUMBER – angle change step, deg. This option will enable calculation of radial-angles distribution function<br />-as – enable matrix output<br />-l FILE – print log to specified file<br />-q – do not print messages to STDOUT<br />-h – show this help and exit</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">File formats</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Output file (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;radf ::: V.1.1.1&quot;. Blank line.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;radf ::: V.1.2.0&quot;. Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The configuration block &quot;CONFIGURATION ... END&quot;. Print log (LOG=1), do not print messages to STDOUT (QUIET=1), matrix output (MATRIX=1), mask of trajectory files (MASK=mask), first (FIRST=1) and last (LAST=1) trajectory steps, sell size (CELL=1.0000,2.0000,3.0000), mode (MODE=0) (0 – radial distribution function, 1 – radial distribution function between centers of mass, 2 – radial-angles distribution function), radial criteria (R_MIN=0.100) (R_MAX=0.100) (R_STEP=0.100), angular criteria for radial-angles distribution function (ANG_MIN=0.10) (ANG_MAX=0.10) (ANG_STEP=0.10), atom types (ATOM=1-2) or (ATOM=1,2,3-4,5,6). Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The results block «SUMMARY STATISTIC … ------------------------------------------------». Table layout (2 rows) follows after specifying the block if matrix output disables.<br />The table format for radial distribution function (matrix output disables)<br /> 0001.0000 2.0000e-01 000000003 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, segment volume (10 characters, 4 decimal part), space, number of molecules in this radius (9 characters), space, radial distribution function (9 characters, 6 decimal part).<br />The table format for radial distribution function (matrix output enables)<br /> 0001.0000 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, radial distribution function (9 characters, 6 decimal part).<br />The table format for radial-angles distribution function (matrix output disables)<br /> 0001.0000 000005.00 2.0000e-01 000000003 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, segment angle (9 characters, 2 decimal part), segment volume (10 characters, 4 decimal part), space, number of molecules in this segment (9 characters), space, radial-angles distribution function (9 characters, 6 decimal part).<br />The table format for radial-angles distribution function (matrix output enables). Segment angle (9 characters, 2 decimal part) is shown in the title<br /> 0001.0000 04.000000 ...<br />Space, sphere radius (9 characters, 4 decimal part), space, radial-angles distribution function (9 characters, 6 decimal part) separated by spaces.</li> <li style=" margin-top:0px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">End of the table</li></ul> @@ -1061,7 +1061,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Usage</span><br />mm_radf -i MASK -s NUMBER,NUMBER -c X,Y,Z -at FORMAT -o FILE [ -r NUMBER,NUMBER ] [ -rs NUMBER ] [ -a NUMBER,NUMBER ] [ -as NUMBER ] [ -m ] [ -l FILE ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Parametrs</span><br />-i MASK – mask of trajectory files<br />-s NUMBER,NUMBER – first and last trajectory steps<br />-c X,Y,Z – cell size, A<br />-at FORMAT – numerical atom types between which the function is calculated. Format is &quot;1-2&quot; or &quot;1,2,3-4,5,6&quot; (automatically enable calculation of radial distribution function between centers of mass)<br />-o FILE – output file<br />-r NUMBER,NUMBER – radial criteria, A. Default is 2.0 and 15.0<br />-rs NUMBER – radius change step, A. Default is 0.2<br />-a NUMBER,NUMBER – angular criteria, deg. Default is 0.0 and 90.0<br />-as NUMBER – angle change step, deg. This option will enable calculation of radial-angles distribution function<br />-as – enable matrix output<br />-l FILE – print log to specified file<br />-q – do not print messages to STDOUT<br />-h – show this help and exit</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">File formats</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Output file (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;radf ::: V.1.1.1&quot;. Blank line.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;radf ::: V.1.2.0&quot;. Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The configuration block &quot;CONFIGURATION ... END&quot;. Print log (LOG=1), do not print messages to STDOUT (QUIET=1), matrix output (MATRIX=1), mask of trajectory files (MASK=mask), first (FIRST=1) and last (LAST=1) trajectory steps, sell size (CELL=1.0000,2.0000,3.0000), mode (MODE=0) (0 – radial distribution function, 1 – radial distribution function between centers of mass, 2 – radial-angles distribution function), radial criteria (R_MIN=0.100) (R_MAX=0.100) (R_STEP=0.100), angular criteria for radial-angles distribution function (ANG_MIN=0.10) (ANG_MAX=0.10) (ANG_STEP=0.10), atom types (ATOM=1-2) or (ATOM=1,2,3-4,5,6). Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The results block «SUMMARY STATISTIC … ------------------------------------------------». Table layout (2 rows) follows after specifying the block if matrix output disables.<br />The table format for radial distribution function (matrix output disables)<br /> 0001.0000 2.0000e-01 000000003 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, segment volume (10 characters, 4 decimal part), space, number of molecules in this radius (9 characters), space, radial distribution function (9 characters, 6 decimal part).<br />The table format for radial distribution function (matrix output enables)<br /> 0001.0000 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, radial distribution function (9 characters, 6 decimal part).<br />The table format for radial-angles distribution function (matrix output disables)<br /> 0001.0000 000005.00 2.0000e-01 000000003 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, segment angle (9 characters, 2 decimal part), segment volume (10 characters, 4 decimal part), space, number of molecules in this segment (9 characters), space, radial-angles distribution function (9 characters, 6 decimal part).<br />The table format for radial-angles distribution function (matrix output enables). Segment angle (9 characters, 2 decimal part) is shown in the title<br /> 0001.0000 04.000000 ...<br />Space, sphere radius (9 characters, 4 decimal part), space, radial-angles distribution function (9 characters, 6 decimal part) separated by spaces.</li> <li style=" margin-top:0px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">End of the table</li></ul> diff --git a/mathmech/mathmech/resources/translations/rus.ts b/mathmech/mathmech/resources/translations/rus.ts index 3e4836f..61760a0 100644 --- a/mathmech/mathmech/resources/translations/rus.ts +++ b/mathmech/mathmech/resources/translations/rus.ts @@ -29,7 +29,7 @@ p, li { white-space: pre-wrap; } </style></head><body style=" font-family:'Liberation Serif'; font-size:10pt; font-weight:400; font-style:normal;"> <p align="center" style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Mathematical Molecular Mechanics</span></p> <p style="-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /></p> -<p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Версия:</span> 1.1.1</p> +<p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Версия:</span> 1.2.0</p> <p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Лицензия:</span> GPL</p> <p style="-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /></p> <p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Автор:</span> Evgeniy Alekseev</p> @@ -604,7 +604,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Usage</span><br />mm_statgen -i MASK -s NUMBER,NUMBER -c X,Y,Z -a FORMAT -r FORMAT -o FILE [ -g NUMBER ] [ -l FILE ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Parametrs</span><br />-i MASK – mask of trajectory files<br />-s NUMBER,NUMBER – first and last trajectory steps<br />-c X,Y,Z – cell size, A<br />-a FORMAT – numerical atom types. Maximum number of different atom types is 4. Types are comma separated<br />-r FORMAT – criteria, A. This flag can be used multiple times. Different interactions are comma separated. Type interaction, colon character, criterion. For example &quot;0-0:2.4,0-1:3.0&quot; means set 0-0 interaction as &lt;2.4 А and 0-1 interaction as &lt;3.0 A<br />-o FILE – output file<br />-g NUMBER – chech graph isomorphism. NUMBER is a maximum depth for search cycles (&gt;= 3)<br />-l FILE – print log to specified file<br />-q – do not print messages to STDOUT<br />-h – show this help and exit</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">File formats</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Output file (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;statgen ::: V.1.1.1&quot;. Blank line.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;statgen ::: V.1.2.0&quot;. Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The configuration block &quot;CONFIGURATION ... END&quot;. Print log (LOG=1), do not print messages to STDOUT (QUIET=1), mask of trajectory files (MASK=mask), first (FIRST=1) and last (LAST=1) trajectory steps, sell size (CELL=1.0000,2.0000,3.0000), atom types (ATOMS=1,2,3,4), interactions (INTERACTION=format), maximum depth for check cycle number (DEPTH=0, 0 - do not check graph isomorphism). Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The enumeration of statistics on individual files.<br />File name (FILE=mask.001), the statistic block for file &quot;STATISTIC ... -----------------&quot;. Table layout (2 rows) follows after specifying the block. The table format<br /> 0000001 0000001 <br />Space, agglomerate size (7 characters), space, number of agglomerates of this size in the file (7 characters).<br />The enumeration of agglomerates in the file. Agglomerate title (AGL=2=1.3.4.) (1 – number of molecules in the agglomerate, 1.3.4. – agglomerate class, if verification of isomorphism is specified). The enumeration of molecules in the agglomerate. (0000001=2,3,4,5,) (1 – number of molecule (7 characters), equal sign, the enumeration of connected molecules separated by commas).</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The summary statistic block «SUMMARY STATISTIC … ------------------------------------------------». Table layout (2 rows) follows after specifying the block. The table format<br /> 0000001 0000002 000003.00 004.00000 0005.00000<br />Space, agglomerate size (7 characters), space, total number of agglomerates of this size (7 characters), space, average concentration of agglomerates of this size (9 characters, 2 decimal part), space, probability of finding molecules in agglomerates of this size (9 characters, 5 decimal part), space, probability of finding molecules in agglomerates of this size multiplied by the size (10 characters, 5 decimal part).</li> @@ -633,7 +633,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Использование</span><br />mm_statgen -i МАСКА -s ЧИСЛО,ЧИСЛО -c X,Y,Z -a ФОРМАТ -r ФОРМАТ -o ФАЙЛ [ -g ЧИСЛО ] [ -l ФАЙЛ ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Параметры</span><br />-i МАСКА – маска снимков траектории<br />-s ЧИСЛО,ЧИСЛО – первый и последний шаги траектории<br />-c X,Y,Z – размер элементарной ячейки, А<br />-a ФОРМАТ – численные типы атомов. Максимальное число различных атомов 4. Типы атомов перечисляются через запятую<br />-r ФОРМАТ – критерии, А. Этот флаг может быть указан несколько раз. Различные взаимодействия перечисляются через запятую. Указывается тип взаимодействия, двоеточие, критерий. Например, &quot;0-0:2.4,0-1:3.0&quot; означает указание 0-0 взаимодействия &lt;2.4 А и 0-1 &lt;3.0 А.<br />-o ФАЙЛ – генерируемый файл<br />-g NUMBER – проверять изоморфизм графов. ЧИСЛО – максимальная глубина для проверки числа циклов (&gt;= 3)<br />-l ФАЙЛ – запись лога в указанный файл<br />-q – не выводить сообщения в STDOUT<br />-h – показать эту справку и выйти</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Форматы файлов</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Генерируемый файл (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">В заголовке указывается название программы и ее версия, например &quot;statgen ::: V.1.1.1&quot;. Пустая строка.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">В заголовке указывается название программы и ее версия, например &quot;statgen ::: V.1.2.0&quot;. Пустая строка.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Блок конфигурации &quot;CONFIGURATION … END&quot;. Печать лога (LOG=1), не выводить сообщения в STDOUT (QUIET=1), маска файлов (MASK=mask), первый (FIRST=1) и последний (LAST=1) шаги траектории, размер ячейки (CELL=1.0000,2.0000,3.0000), типы атомов (ATOMS=1,2,3,4), взаимодействия (INTERACTION=формат), максимальная глубина для проверки числа циклов (DEPTH=0, 0 – не проверять изоморфизм). Пустая строка.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Перечисление статистики по файлам.<br />Имя файла (FILE=mask.001), блок статистики по файлу &quot;STATISTIC … -----------------&quot;. После указания блока следует разметка таблицы (2 строки). Формат таблицы<br /> 0000001 0000001 <br />Пробел, размер агломерата (7 символов), пробел, число агломератов данной стехиометрии в файле (7 символов).<br />Перечисление агломератов, найденных в данном файле. Заголовок агломерата (AGL=2=1.3.4.) (1 – число молекул в агломерате, 1.3.4. – класс агломерата, если указана проверка изоморфизма). Перечисление молекул в агломерате (0000001=2,3,4,5,) (1 – номер молекулы (7 символов), знак равенства, перечисление связанных молекул через запятую).</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Общая статистика &quot;.SUMMARY STATISTIC … ------------------------------------------------&quot;..После указания блока следует разметка таблицы (2 строки). Формат таблицы<br /> 0000001 0000002 000003.00 004.00000 0005.00000<br />Пробел, размер агломерата (7 символов), пробел, общее число агломератов данной стехиометрии (7 символов), пробел, средняя концентрация агломератов данной стехиометрии (9 символов, 2 десятичной части), пробел, вероятность нахождения молекулы в агломерате данной стехиометрии (9 символов, 5 десятичной части), пробел, вероятность нахождения молекулы в агломерате данной стехиометрии, умноженная на число молекул в агломерате (10 символов, 5 десятичной части).</li> @@ -732,7 +732,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Usage</span><br />mm_radf -i MASK -s NUMBER,NUMBER -c X,Y,Z -at FORMAT -o FILE [ -r NUMBER,NUMBER ] [ -rs NUMBER ] [ -a NUMBER,NUMBER ] [ -as NUMBER ] [ -m ] [ -l FILE ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Parametrs</span><br />-i MASK – mask of trajectory files<br />-s NUMBER,NUMBER – first and last trajectory steps<br />-c X,Y,Z – cell size, A<br />-at FORMAT – numerical atom types between which the function is constructed. Format is &quot;1-2&quot; or &quot;1,2,3-4,5,6&quot; (automatically enable calculation of radial distribution function between centers of mass)<br />-o FILE – output file<br />-r NUMBER,NUMBER – radial criteria. Default is 2.0 and 15.0<br />-rs NUMBER – radius change step. Default is 0.2<br />-a NUMBER,NUMBER – angular criteria. Default is 0.0 and 90.0<br />-as NUMBER – angle change step. This option will enable calculation of radial-angles distribution function<br />-as – enable matrix output<br />-l FILE – print log to specified file<br />-q – do not print messages to STDOUT<br />-h – show this help and exit</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">File formats</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Output file (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;radf ::: V.1.1.1&quot;. Blank line.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;radf ::: V.1.2.0&quot;. Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The configuration block &quot;CONFIGURATION ... END&quot;. Print log (LOG=1), do not print messages to STDOUT (QUIET=1), matrix output (MATRIX=1), mask of trajectory files (MASK=mask), first (FIRST=1) and last (LAST=1) trajectory steps, sell size (CELL=1.0000,2.0000,3.0000), mode (MODE=0) (0 – radial distribution function, 1 – radial distribution function between centers of mass, 2 – radial-angles distribution function), radial criteria (R_MIN=0.100) (R_MAX=0.100) (R_STEP=0.100), angular criteria for radial-angles distribution function (ANG_MIN=0.10) (ANG_MAX=0.10) (ANG_STEP=0.10), atom types (ATOM=1-2) or (ATOM=1,2,3-4,5,6). Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The results block «SUMMARY STATISTIC … ------------------------------------------------». Table layout (2 rows) follows after specifying the block if matrix output disables.<br />The table format for radial distribution function (matrix output disables)<br /> 0001.0000 2.0000e-01 000000003 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, sphere volume (10 characters, 4 decimal part), space, number of molecules in this radius (9 characters), space, radial distribution function (9 characters, 6 decimal part).<br />The table format for radial distribution function (matrix output enables)<br /> 0001.0000 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, radial distribution function (9 characters, 6 decimal part).<br />The table format for radial-angles distribution function (matrix output disables)<br /> 0001.0000 000005.00 2.0000e-01 000000003 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, segment angle (9 characters, 2 decimal part), segment volume (10 characters, 4 decimal part), space, number of molecules in this segment (9 characters), space, radial-angles distribution function (9 characters, 6 decimal part).<br />The table format for radial-angles distribution function (matrix output enables). Segment angle (9 characters, 2 decimal part) is shown in the title<br /> 0001.0000 04.000000 ...<br />Space, sphere radius (9 characters, 4 decimal part), space, radial-angles distribution function (9 characters, 6 decimal part) separated by spaces.</li> <li style=" margin-top:0px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">End of the table</li></ul> @@ -759,7 +759,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Использование</span><br />mm_radf -i МАСКА -s ЧИСЛО,ЧИСЛО -c X,Y,Z -at ФОРМАТ -o ФАЙЛ [ -r ЧИСЛО,ЧИСЛО ] [ -rs ЧИСЛО ] [ -a ЧИСЛО,ЧИСЛО ] [ -as ЧИСЛО ] [ -m ] [ -l ФАЙЛ ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Параметры</span><br />-i МАСКА – маска снимков траектории<br />-s ЧИСЛО,ЧИСЛО – первый и последний шаги траектории<br />-c X,Y,Z – размер элементарной ячейки, А<br />-at ФОРМАТ – численные типы атомов между которыми строится функция. Формат &quot;1-2&quot; или &quot;1,2,3,-4,5,6&quot; (автоматически включит расчет функции радиального распределения между центрами масс).<br />-o ФАЙЛ – генерируемый файл<br />-r ЧИСЛО,ЧИСЛО – минимальный и максимальный радиус, А. По умолчанию 2.0 и 15.0<br />-rs ЧИСЛО – шаг изменения радиуса, А. По умолчанию 0.2<br />-a ЧИСЛО,ЧИСЛО – минимальный и максимальный угол, град. По умолчанию 0.0 и 90.0<br />-as ЧИСЛО – шаг изменения угла, град. Эта опция включит расчет функции радиально-углового распределения<br />-m – печать в виде матрицы<br />-l ФАЙЛ – запись лога в указанный файл<br />-q – не выводить сообщения в STDOUT<br />-h – показать эту справку и выйти</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Форматы файлов</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Генерируемый файл (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">В заголовке указывается название программы и ее версия, например &quot;radf ::: V.1.1.1&quot;. Пустая строка.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">В заголовке указывается название программы и ее версия, например &quot;radf ::: V.1.2.0&quot;. Пустая строка.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Блок конфигурации &quot;CONFIGURATION … END&quot;. Печать лога (LOG=1), не выводить сообщения в STDOUT (QUIET=1), матричный вывод (MATRIX=1), файлов (MASK=mask), первый (FIRST=1) и последний (LAST=1) шаги траектории, размер ячейки (CELL=1.0000,2.0000,3.0000), тип расчета (MODE=0) (0 – для функции радиального распределения, 1 – для функции радиального распределения для центров масс, 2 – для функции радиально-углового распределения), радиальные критерии (R_MIN=0.100) (R_MAX=0.100) (R_STEP=0.100), угловые критерии для функции радиально-углового распределения (ANG_MIN=0.10) (ANG_MAX=0.10) (ANG_STEP=0.10), типы атомов (ATOM=1-2) или (ATOM=1,2,3-4,5,6). Пустая строка.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Блок результатов &quot;SUMMARY STATISTIC … ------------------------------------------------&quot;. После указания блока, если отключен матричный вывод, следует разметка таблицы (2 строки).<br />Формат таблицы для функций радиального распределения (матричный вывод отключен)<br /> 0001.0000 2.0000e-01 000000003 04.000000<br />Пробел, радиус сферы (9 символов, 4 десятичной части), пробел, объем сферы (10 символов, 4 десятичной части), пробел, число молекул в данной сфере (9 символов), функция радиального распределения (9 символов, 6 десятичной части).<br />Формат таблицы для функций радиального распределения (матричный вывод включен)<br /> 0001.0000 04.000000<br />Пробел, радиус сферы (9 символов, 4 десятичной части), пробел, функция радиального распределения (9 символов, 6 десятичной части).<br />Формат таблицы для функций радиально-углового распределения (матричный вывод отключен)<br /> 0001.0000 000005.00 2.0000e-01 000000003 04.000000<br />Пробел, радиус сферы (9 символов, 4 десятичной части), пробел, угол (9 символов, 2 десятичной части), пробел, объем сегмента (10 символов, 4 десятичной части), пробел, число молекул в данном сегменте (9 символов), функция радиально-углового распределения (9 символов, 6 десятичной части).<br />Формат таблицы для функций радиально-углового распределения (матричный вывод включен). В заголовке указывается угол (9 символов, 2 десятичной части)<br /> 0001.0000 04.000000 …<br />Пробел, радиус сферы (9 символов, 4 десятичной части), пробел, функция радиально-углового распределения (9 символов, 6 десятичной части) через пробелы, соответствующие данному углу.</li> <li style=" margin-top:0px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Конец таблицы.</li></ul> @@ -924,7 +924,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Usage</span><br />mm_statgen -i MASK -s NUMBER,NUMBER -c X,Y,Z -a FORMAT -r FORMAT -o FILE [ -g NUMBER ] [ -l FILE ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Parametrs</span><br />-i MASK – mask of trajectory files<br />-s NUMBER,NUMBER – first and last trajectory steps<br />-c X,Y,Z – cell size, A<br />-a FORMAT – numerical atom types. Maximum number of different atom types is 4. Types are comma separated<br />-r FORMAT – criteria, A. This flag can be used multiple times. Different interactions are comma separated. Type interaction, colon character, criterion. For example &quot;0-0:2.4,0-1:3.0&quot; means set 0-0 interaction as &lt;2.4 А and 0-1 interaction as &lt;3.0 A<br />-o FILE – output file<br />-g NUMBER – chech graph isomorphism. NUMBER is a maximum depth for search cycles (&gt;= 3)<br />-l FILE – print log to specified file<br />-q – do not print messages to STDOUT<br />-h – show this help and exit</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">File formats</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Output file (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;statgen ::: V.1.1.1&quot;. Blank line.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;statgen ::: V.1.2.0&quot;. Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The configuration block &quot;CONFIGURATION ... END&quot;. Print log (LOG=1), do not print messages to STDOUT (QUIET=1), mask of trajectory files (MASK=mask), first (FIRST=1) and last (LAST=1) trajectory steps, sell size (CELL=1.0000,2.0000,3.0000), atom types (ATOMS=1,2,3,4), interactions (INTERACTION=format), maximum depth for check cycle number (DEPTH=0, 0 - do not check graph isomorphism). Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The enumeration of statistics on individual files.<br />File name (FILE=mask.001), the statistic block for file &quot;STATISTIC ... -----------------&quot;. Table layout (2 rows) follows after specifying the block. The table format<br /> 0000001 0000001 <br />Space, agglomerate size (7 characters), space, number of agglomerates of this size in the file (7 characters).<br />The enumeration of agglomerates in the file. Agglomerate title (AGL=2=1.3.4.) (1 – number of molecules in the agglomerate, 1.3.4. – agglomerate class, if verification of isomorphism is specified). The enumeration of molecules in the agglomerate. (0000001=2,3,4,5,) (1 – number of molecule (7 characters), equal sign, the enumeration of connected molecules separated by commas).</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The summary statistic block &quot;SUMMARY STATISTIC … ------------------------------------------------&quot;. Table layout (2 rows) follows after specifying the block. The table format<br /> 0000001 0000002 000003.00 004.00000 0005.00000<br />Space, agglomerate size (7 characters), space, total number of agglomerates of this size (7 characters), space, average concentration of agglomerates of this size (9 characters, 2 decimal part), space, probability of finding molecules in agglomerates of this size (9 characters, 5 decimal part), space, probability of finding molecules in agglomerates of this size multiplied by the size (10 characters, 5 decimal part).</li> @@ -953,7 +953,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Использование</span><br />mm_statgen -i МАСКА -s ЧИСЛО,ЧИСЛО -c X,Y,Z -a ФОРМАТ -r ФОРМАТ -o ФАЙЛ [ -g ЧИСЛО ] [ -l ФАЙЛ ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Параметры</span><br />-i МАСКА – маска снимков траектории<br />-s ЧИСЛО,ЧИСЛО – первый и последний шаги траектории<br />-c X,Y,Z – размер элементарной ячейки, А<br />-a ФОРМАТ – численные типы атомов. Максимальное число различных атомов 4. Типы атомов перечисляются через запятую<br />-r ФОРМАТ – критерии, А. Этот флаг может быть указан несколько раз. Различные взаимодействия перечисляются через запятую. Указывается тип взаимодействия, двоеточие, критерий. Например, &quot;0-0:2.4,0-1:3.0&quot; означает указание 0-0 взаимодействия &lt;2.4 А и 0-1 &lt;3.0 А.<br />-o ФАЙЛ – генерируемый файл<br />-g NUMBER – проверять изоморфизм графов. ЧИСЛО – максимальная глубина для проверки числа циклов (&gt;= 3)<br />-l ФАЙЛ – запись лога в указанный файл<br />-q – не выводить сообщения в STDOUT<br />-h – показать эту справку и выйти</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Форматы файлов</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Генерируемый файл (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">В заголовке указывается название программы и ее версия, например &quot;statgen ::: V.1.1.1&quot;. Пустая строка.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">В заголовке указывается название программы и ее версия, например &quot;statgen ::: V.1.2.0&quot;. Пустая строка.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Блок конфигурации &quot;CONFIGURATION … END&quot;. Печать лога (LOG=1), не выводить сообщения в STDOUT (QUIET=1), маска файлов (MASK=mask), первый (FIRST=1) и последний (LAST=1) шаги траектории, размер ячейки (CELL=1.0000,2.0000,3.0000), типы атомов (ATOMS=1,2,3,4), взаимодействия (INTERACTION=формат), максимальная глубина для проверки числа циклов (DEPTH=0, 0 – не проверять изоморфизм). Пустая строка.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Перечисление статистики по файлам.<br />Имя файла (FILE=mask.001), блок статистики по файлу &quot;STATISTIC … -----------------&quot;. После указания блока следует разметка таблицы (2 строки). Формат таблицы<br /> 0000001 0000001 <br />Пробел, размер агломерата (7 символов), пробел, число агломератов данной стехиометрии в файле (7 символов).<br />Перечисление агломератов, найденных в данном файле. Заголовок агломерата (AGL=2=1.3.4.) (1 – число молекул в агломерате, 1.3.4. – класс агломерата, если указана проверка изоморфизма). Перечисление молекул в агломерате (0000001=2,3,4,5,) (1 – номер молекулы (7 символов), знак равенства, перечисление связанных молекул через запятую).</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Общая статистика &quot;.SUMMARY STATISTIC … ------------------------------------------------&quot;..После указания блока следует разметка таблицы (2 строки). Формат таблицы<br /> 0000001 0000002 000003.00 004.00000 0005.00000<br />Пробел, размер агломерата (7 символов), пробел, общее число агломератов данной стехиометрии (7 символов), пробел, средняя концентрация агломератов данной стехиометрии (9 символов, 2 десятичной части), пробел, вероятность нахождения молекулы в агломерате данной стехиометрии (9 символов, 5 десятичной части), пробел, вероятность нахождения молекулы в агломерате данной стехиометрии, умноженная на число молекул в агломерате (10 символов, 5 десятичной части).</li> @@ -1034,7 +1034,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Usage</span><br />mm_radf -i MASK -s NUMBER,NUMBER -c X,Y,Z -at FORMAT -o FILE [ -r NUMBER,NUMBER ] [ -rs NUMBER ] [ -a NUMBER,NUMBER ] [ -as NUMBER ] [ -m ] [ -l FILE ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Parametrs</span><br />-i MASK – mask of trajectory files<br />-s NUMBER,NUMBER – first and last trajectory steps<br />-c X,Y,Z – cell size, A<br />-at FORMAT – numerical atom types between which the function is calculated. Format is &quot;1-2&quot; or &quot;1,2,3-4,5,6&quot; (automatically enable calculation of radial distribution function between centers of mass)<br />-o FILE – output file<br />-r NUMBER,NUMBER – radial criteria, A. Default is 2.0 and 15.0<br />-rs NUMBER – radius change step, A. Default is 0.2<br />-a NUMBER,NUMBER – angular criteria, deg. Default is 0.0 and 90.0<br />-as NUMBER – angle change step, deg. This option will enable calculation of radial-angles distribution function<br />-as – enable matrix output<br />-l FILE – print log to specified file<br />-q – do not print messages to STDOUT<br />-h – show this help and exit</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">File formats</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Output file (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;radf ::: V.1.1.1&quot;. Blank line.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Program name and version are shown in the title. For example, &quot;radf ::: V.1.2.0&quot;. Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The configuration block &quot;CONFIGURATION ... END&quot;. Print log (LOG=1), do not print messages to STDOUT (QUIET=1), matrix output (MATRIX=1), mask of trajectory files (MASK=mask), first (FIRST=1) and last (LAST=1) trajectory steps, sell size (CELL=1.0000,2.0000,3.0000), mode (MODE=0) (0 – radial distribution function, 1 – radial distribution function between centers of mass, 2 – radial-angles distribution function), radial criteria (R_MIN=0.100) (R_MAX=0.100) (R_STEP=0.100), angular criteria for radial-angles distribution function (ANG_MIN=0.10) (ANG_MAX=0.10) (ANG_STEP=0.10), atom types (ATOM=1-2) or (ATOM=1,2,3-4,5,6). Blank line.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">The results block «SUMMARY STATISTIC … ------------------------------------------------». Table layout (2 rows) follows after specifying the block if matrix output disables.<br />The table format for radial distribution function (matrix output disables)<br /> 0001.0000 2.0000e-01 000000003 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, segment volume (10 characters, 4 decimal part), space, number of molecules in this radius (9 characters), space, radial distribution function (9 characters, 6 decimal part).<br />The table format for radial distribution function (matrix output enables)<br /> 0001.0000 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, radial distribution function (9 characters, 6 decimal part).<br />The table format for radial-angles distribution function (matrix output disables)<br /> 0001.0000 000005.00 2.0000e-01 000000003 04.000000<br />Space, sphere radius (9 characters, 4 decimal part), space, segment angle (9 characters, 2 decimal part), segment volume (10 characters, 4 decimal part), space, number of molecules in this segment (9 characters), space, radial-angles distribution function (9 characters, 6 decimal part).<br />The table format for radial-angles distribution function (matrix output enables). Segment angle (9 characters, 2 decimal part) is shown in the title<br /> 0001.0000 04.000000 ...<br />Space, sphere radius (9 characters, 4 decimal part), space, radial-angles distribution function (9 characters, 6 decimal part) separated by spaces.</li> <li style=" margin-top:0px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">End of the table</li></ul> @@ -1061,7 +1061,7 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Использование</span><br />mm_radf -i МАСКА -s ЧИСЛО,ЧИСЛО -c X,Y,Z -at ФОРМАТ -o ФАЙЛ [ -r ЧИСЛО,ЧИСЛО ] [ -rs ЧИСЛО ] [ -a ЧИСЛО,ЧИСЛО ] [ -as ЧИСЛО ] [ -m ] [ -l ФАЙЛ ] [ -q ] [ -h ]<br /> <span style=" text-decoration: underline;">Параметры</span><br />-i МАСКА – маска снимков траектории<br />-s ЧИСЛО,ЧИСЛО – первый и последний шаги траектории<br />-c X,Y,Z – размер элементарной ячейки, А<br />-at ФОРМАТ – численные типы атомов между которыми строится функция. Формат &quot;1-2&quot; или &quot;1,2,3,-4,5,6&quot; (автоматически включит расчет функции радиального распределения между центрами масс).<br />-o ФАЙЛ – генерируемый файл<br />-r ЧИСЛО,ЧИСЛО – минимальный и максимальный радиус, А. По умолчанию 2.0 и 15.0<br />-rs ЧИСЛО – шаг изменения радиуса, А. По умолчанию 0.2<br />-a ЧИСЛО,ЧИСЛО – минимальный и максимальный угол, град. По умолчанию 0.0 и 90.0<br />-as ЧИСЛО – шаг изменения угла, град. Эта опция включит расчет функции радиально-углового распределения<br />-m – печать в виде матрицы<br />-l ФАЙЛ – запись лога в указанный файл<br />-q – не выводить сообщения в STDOUT<br />-h – показать эту справку и выйти</p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /> <span style=" text-decoration: underline;">Форматы файлов</span></p> <p align="justify" style=" margin-top:12px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"> <span style=" font-style:italic;">Генерируемый файл (*.dat)</span></p> -<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">В заголовке указывается название программы и ее версия, например &quot;radf ::: V.1.1.1&quot;. Пустая строка.</li> +<ul style="margin-top: 0px; margin-bottom: 0px; margin-left: 0px; margin-right: 0px; -qt-list-indent: 1;"><li align="justify" style=" margin-top:12px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">В заголовке указывается название программы и ее версия, например &quot;radf ::: V.1.2.0&quot;. Пустая строка.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Блок конфигурации &quot;CONFIGURATION … END&quot;. Печать лога (LOG=1), не выводить сообщения в STDOUT (QUIET=1), матричный вывод (MATRIX=1), файлов (MASK=mask), первый (FIRST=1) и последний (LAST=1) шаги траектории, размер ячейки (CELL=1.0000,2.0000,3.0000), тип расчета (MODE=0) (0 – для функции радиального распределения, 1 – для функции радиального распределения для центров масс, 2 – для функции радиально-углового распределения), радиальные критерии (R_MIN=0.100) (R_MAX=0.100) (R_STEP=0.100), угловые критерии для функции радиально-углового распределения (ANG_MIN=0.10) (ANG_MAX=0.10) (ANG_STEP=0.10), типы атомов (ATOM=1-2) или (ATOM=1,2,3-4,5,6). Пустая строка.</li> <li style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Блок результатов &quot;SUMMARY STATISTIC … ------------------------------------------------&quot;. После указания блока, если отключен матричный вывод, следует разметка таблицы (2 строки).<br />Формат таблицы для функций радиального распределения (матричный вывод отключен)<br /> 0001.0000 2.0000e-01 000000003 04.000000<br />Пробел, радиус сферы (9 символов, 4 десятичной части), пробел, объем сегмента (10 символов, 4 десятичной части), пробел, число молекул в данном сегменте (9 символов), функция радиального распределения (9 символов, 6 десятичной части).<br />Формат таблицы для функций радиального распределения (матричный вывод включен)<br /> 0001.0000 04.000000<br />Пробел, радиус сферы (9 символов, 4 десятичной части), пробел, функция радиального распределения (9 символов, 6 десятичной части).<br />Формат таблицы для функций радиально-углового распределения (матричный вывод отключен)<br /> 0001.0000 000005.00 2.0000e-01 000000003 04.000000<br />Пробел, радиус сферы (9 символов, 4 десятичной части), пробел, угол (9 символов, 2 десятичной части), пробел, объем сегмента (10 символов, 4 десятичной части), пробел, число молекул в данном сегменте (9 символов), функция радиально-углового распределения (9 символов, 6 десятичной части).<br />Формат таблицы для функций радиально-углового распределения (матричный вывод включен). В заголовке указывается угол (9 символов, 2 десятичной части)<br /> 0001.0000 04.000000 …<br />Пробел, радиус сферы (9 символов, 4 десятичной части), пробел, функция радиально-углового распределения (9 символов, 6 десятичной части) через пробелы, соответствующие данному углу.</li> <li style=" margin-top:0px; margin-bottom:12px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Конец таблицы.</li></ul> diff --git a/mathmech/mathmech/src/CMakeLists.txt b/mathmech/mathmech/src/CMakeLists.txt index 7e6fc9e..b0675b8 100644 --- a/mathmech/mathmech/src/CMakeLists.txt +++ b/mathmech/mathmech/src/CMakeLists.txt @@ -3,7 +3,7 @@ file (GLOB SOURCES *.cpp) file (GLOB HEADERS *.h) file (GLOB FORMS *.ui) if (CMAKE_SYSTEM_NAME MATCHES Windows) - set (SOURCES ${SOURCES} ${PROJECT_RESOURCE_DIR}/res_icon.rc) + set (SOURCES ${SOURCES} ${SUBPROJECT_RESOURCE_DIR}/res_icon.rc) endif () # set library if (CMAKE_COMPILER_IS_GNUCXX) @@ -14,18 +14,18 @@ endif () set (LANGUAGES eng rus) -set (RESOURCES ${PROJECT_RESOURCE_DIR}/resources.qrc) +set (RESOURCES ${SUBPROJECT_RESOURCE_DIR}/resources.qrc) -message (STATUS "${PROJECT} SOURCES: ${SOURCES}") -message (STATUS "${PROJECT} HEADERS: ${HEADERS}") -message (STATUS "${PROJECT} FORMS: ${FORMS}") +message (STATUS "${SUBPROJECT} SOURCES: ${SOURCES}") +message (STATUS "${SUBPROJECT} HEADERS: ${HEADERS}") +message (STATUS "${SUBPROJECT} FORMS: ${FORMS}") # compile -project (${PROJECT}) +project (${SUBPROJECT}) # include_path link_directories (${QWT_LIBRARY_PATH}) -include_directories (${PROJECT_SOURCE_DIR} +include_directories (${SUBPROJECT_SOURCE_DIR} ${CMAKE_CURRENT_BINARY_DIR} ${QWT_INCLUDE_PATH}) @@ -35,8 +35,8 @@ qt4_add_resources (QRC_SOURCES ${RESOURCES}) qt4_wrap_cpp (MOC_SOURCES ${HEADERS}) qt4_wrap_ui (UI_HEADERS ${FORMS}) foreach (LANGUAGE ${LANGUAGES}) - set (TS ${PROJECT_TRANSLATION_DIR}/${LANGUAGE}.ts) - set (QM ${PROJECT_TRANSLATION_DIR}/${LANGUAGE}.qm) + set (TS ${SUBPROJECT_TRANSLATION_DIR}/${LANGUAGE}.ts) + set (QM ${SUBPROJECT_TRANSLATION_DIR}/${LANGUAGE}.qm) set (TRANSLATIONS ${TRANSLATIONS} ${TS}) set (TRANSLATIONS_BINARY ${TRANSLATIONS_BINARY} ${QM}) add_custom_command ( @@ -50,18 +50,18 @@ add_custom_target ( add_custom_command ( TARGET translations COMMAND ${QT_LRELEASE_EXECUTABLE} ${TRANSLATIONS}) -message (STATUS "${PROJECT} TRANSLATIONS: ${TRANSLATIONS_BINARY}") +message (STATUS "${SUBPROJECT} TRANSLATIONS: ${TRANSLATIONS_BINARY}") source_group ("Header Files" FILES ${HEADERS}) source_group ("Source Files" FILES ${SOURCES}) source_group ("Generated Files" FILES ${MOC_SOURCES}) source_group ("Resource Files" FILES ${QRC_SOURCES}) -add_executable (${PROJECT} WIN32 ${UI_HEADERS} ${HEADERS} ${SOURCES} ${MOC_SOURCES} ${QRC_SOURCES} ${TRANSLATIONS}) -target_link_libraries (${PROJECT} ${LIBRARIES} ${QT_LIBRARIES} ${QT_QTMAIN_LIBRARY}) +add_executable (${SUBPROJECT} WIN32 ${UI_HEADERS} ${HEADERS} ${SOURCES} ${MOC_SOURCES} ${QRC_SOURCES} ${TRANSLATIONS}) +target_link_libraries (${SUBPROJECT} ${LIBRARIES} ${QT_LIBRARIES} ${QT_QTMAIN_LIBRARY}) # install properties -install (TARGETS ${PROJECT} DESTINATION bin) +install (TARGETS ${SUBPROJECT} DESTINATION bin) if (CMAKE_SYSTEM_NAME MATCHES Linux) install (FILES ../mathmech.desktop DESTINATION share/applications/) install (FILES ../mathmech-logo.png DESTINATION share/pixmaps/) diff --git a/mathmech/mm/AUTHORS b/mathmech/mm/AUTHORS deleted file mode 100644 index 2c0d60a..0000000 --- a/mathmech/mm/AUTHORS +++ /dev/null @@ -1,3 +0,0 @@ -Current developers: - -Evgeniy Alekseev aka arcanis diff --git a/mathmech/mm/CMakeLists.txt b/mathmech/mm/CMakeLists.txt index d9feca3..8cf8dc1 100644 --- a/mathmech/mm/CMakeLists.txt +++ b/mathmech/mm/CMakeLists.txt @@ -1,13 +1,10 @@ # set project name -set (PROJECT mm) +set (SUBPROJECT mm) # set additional cmake file -include (${PROJECT}.cmake) -if (ADD_DOCS) - include (doxygen.cmake) -endif () +include (${SUBPROJECT}.cmake) # additional targets set (TARGETS "") set (HEADERS "") -add_subdirectory (${PROJECT_SOURCE_DIR}) \ No newline at end of file +add_subdirectory (${SUBPROJECT_SOURCE_DIR}) \ No newline at end of file diff --git a/mathmech/mm/COPYING b/mathmech/mm/COPYING deleted file mode 100644 index eb47f5d..0000000 --- a/mathmech/mm/COPYING +++ /dev/null @@ -1,341 +0,0 @@ - GNU GENERAL PUBLIC LICENSE - Version 2, June 1991 - - Copyright (C) 1989, 1991 Free Software Foundation, Inc. - 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA - - Everyone is permitted to copy and distribute verbatim copies - of this license document, but changing it is not allowed. - - Preamble - - The licenses for most software are designed to take away your -freedom to share and change it. By contrast, the GNU General Public -License is intended to guarantee your freedom to share and change free -software--to make sure the software is free for all its users. This -General Public License applies to most of the Free Software -Foundation's software and to any other program whose authors commit to -using it. (Some other Free Software Foundation software is covered by -the GNU Library General Public License instead.) You can apply it to -your programs, too. - - When we speak of free software, we are referring to freedom, not -price. Our General Public Licenses are designed to make sure that you -have the freedom to distribute copies of free software (and charge for -this service if you wish), that you receive source code or can get it -if you want it, that you can change the software or use pieces of it -in new free programs; and that you know you can do these things. - - To protect your rights, we need to make restrictions that forbid -anyone to deny you these rights or to ask you to surrender the rights. -These restrictions translate to certain responsibilities for you if you -distribute copies of the software, or if you modify it. - - For example, if you distribute copies of such a program, whether -gratis or for a fee, you must give the recipients all the rights that -you have. You must make sure that they, too, receive or can get the -source code. And you must show them these terms so they know their -rights. - - We protect your rights with two steps: (1) copyright the software, and -(2) offer you this license which gives you legal permission to copy, -distribute and/or modify the software. - - Also, for each author's protection and ours, we want to make certain -that everyone understands that there is no warranty for this free -software. If the software is modified by someone else and passed on, we -want its recipients to know that what they have is not the original, so -that any problems introduced by others will not reflect on the original -authors' reputations. - - Finally, any free program is threatened constantly by software -patents. We wish to avoid the danger that redistributors of a free -program will individually obtain patent licenses, in effect making the -program proprietary. To prevent this, we have made it clear that any -patent must be licensed for everyone's free use or not licensed at all. - - The precise terms and conditions for copying, distribution and -modification follow. - - GNU GENERAL PUBLIC LICENSE - TERMS AND CONDITIONS FOR COPYING, DISTRIBUTION AND MODIFICATION - - 0. This License applies to any program or other work which contains -a notice placed by the copyright holder saying it may be distributed -under the terms of this General Public License. The "Program", below, -refers to any such program or work, and a "work based on the Program" -means either the Program or any derivative work under copyright law: -that is to say, a work containing the Program or a portion of it, -either verbatim or with modifications and/or translated into another -language. (Hereinafter, translation is included without limitation in -the term "modification".) Each licensee is addressed as "you". - -Activities other than copying, distribution and modification are not -covered by this License; they are outside its scope. The act of -running the Program is not restricted, and the output from the Program -is covered only if its contents constitute a work based on the -Program (independent of having been made by running the Program). -Whether that is true depends on what the Program does. - - 1. You may copy and distribute verbatim copies of the Program's -source code as you receive it, in any medium, provided that you -conspicuously and appropriately publish on each copy an appropriate -copyright notice and disclaimer of warranty; keep intact all the -notices that refer to this License and to the absence of any warranty; -and give any other recipients of the Program a copy of this License -along with the Program. - -You may charge a fee for the physical act of transferring a copy, and -you may at your option offer warranty protection in exchange for a fee. - - 2. You may modify your copy or copies of the Program or any portion -of it, thus forming a work based on the Program, and copy and -distribute such modifications or work under the terms of Section 1 -above, provided that you also meet all of these conditions: - - a) You must cause the modified files to carry prominent notices - stating that you changed the files and the date of any change. - - b) You must cause any work that you distribute or publish, that in - whole or in part contains or is derived from the Program or any - part thereof, to be licensed as a whole at no charge to all third - parties under the terms of this License. - - c) If the modified program normally reads commands interactively - when run, you must cause it, when started running for such - interactive use in the most ordinary way, to print or display an - announcement including an appropriate copyright notice and a - notice that there is no warranty (or else, saying that you provide - a warranty) and that users may redistribute the program under - these conditions, and telling the user how to view a copy of this - License. (Exception: if the Program itself is interactive but - does not normally print such an announcement, your work based on - the Program is not required to print an announcement.) - -These requirements apply to the modified work as a whole. If -identifiable sections of that work are not derived from the Program, -and can be reasonably considered independent and separate works in -themselves, then this License, and its terms, do not apply to those -sections when you distribute them as separate works. But when you -distribute the same sections as part of a whole which is a work based -on the Program, the distribution of the whole must be on the terms of -this License, whose permissions for other licensees extend to the -entire whole, and thus to each and every part regardless of who wrote it. - -Thus, it is not the intent of this section to claim rights or contest -your rights to work written entirely by you; rather, the intent is to -exercise the right to control the distribution of derivative or -collective works based on the Program. - -In addition, mere aggregation of another work not based on the Program -with the Program (or with a work based on the Program) on a volume of -a storage or distribution medium does not bring the other work under -the scope of this License. - - 3. You may copy and distribute the Program (or a work based on it, -under Section 2) in object code or executable form under the terms of -Sections 1 and 2 above provided that you also do one of the following: - - a) Accompany it with the complete corresponding machine-readable - source code, which must be distributed under the terms of Sections - 1 and 2 above on a medium customarily used for software interchange; or, - - b) Accompany it with a written offer, valid for at least three - years, to give any third party, for a charge no more than your - cost of physically performing source distribution, a complete - machine-readable copy of the corresponding source code, to be - distributed under the terms of Sections 1 and 2 above on a medium - customarily used for software interchange; or, - - c) Accompany it with the information you received as to the offer - to distribute corresponding source code. (This alternative is - allowed only for noncommercial distribution and only if you - received the program in object code or executable form with such - an offer, in accord with Subsection b above.) - -The source code for a work means the preferred form of the work for -making modifications to it. For an executable work, complete source -code means all the source code for all modules it contains, plus any -associated interface definition files, plus the scripts used to -control compilation and installation of the executable. However, as a -special exception, the source code distributed need not include -anything that is normally distributed (in either source or binary -form) with the major components (compiler, kernel, and so on) of the -operating system on which the executable runs, unless that component -itself accompanies the executable. - -If distribution of executable or object code is made by offering -access to copy from a designated place, then offering equivalent -access to copy the source code from the same place counts as -distribution of the source code, even though third parties are not -compelled to copy the source along with the object code. - - 4. You may not copy, modify, sublicense, or distribute the Program -except as expressly provided under this License. Any attempt -otherwise to copy, modify, sublicense or distribute the Program is -void, and will automatically terminate your rights under this License. -However, parties who have received copies, or rights, from you under -this License will not have their licenses terminated so long as such -parties remain in full compliance. - - 5. You are not required to accept this License, since you have not -signed it. However, nothing else grants you permission to modify or -distribute the Program or its derivative works. These actions are -prohibited by law if you do not accept this License. Therefore, by -modifying or distributing the Program (or any work based on the -Program), you indicate your acceptance of this License to do so, and -all its terms and conditions for copying, distributing or modifying -the Program or works based on it. - - 6. Each time you redistribute the Program (or any work based on the -Program), the recipient automatically receives a license from the -original licensor to copy, distribute or modify the Program subject to -these terms and conditions. You may not impose any further -restrictions on the recipients' exercise of the rights granted herein. -You are not responsible for enforcing compliance by third parties to -this License. - - 7. If, as a consequence of a court judgment or allegation of patent -infringement or for any other reason (not limited to patent issues), -conditions are imposed on you (whether by court order, agreement or -otherwise) that contradict the conditions of this License, they do not -excuse you from the conditions of this License. If you cannot -distribute so as to satisfy simultaneously your obligations under this -License and any other pertinent obligations, then as a consequence you -may not distribute the Program at all. For example, if a patent -license would not permit royalty-free redistribution of the Program by -all those who receive copies directly or indirectly through you, then -the only way you could satisfy both it and this License would be to -refrain entirely from distribution of the Program. - -If any portion of this section is held invalid or unenforceable under -any particular circumstance, the balance of the section is intended to -apply and the section as a whole is intended to apply in other -circumstances. - -It is not the purpose of this section to induce you to infringe any -patents or other property right claims or to contest validity of any -such claims; this section has the sole purpose of protecting the -integrity of the free software distribution system, which is -implemented by public license practices. Many people have made -generous contributions to the wide range of software distributed -through that system in reliance on consistent application of that -system; it is up to the author/donor to decide if he or she is willing -to distribute software through any other system and a licensee cannot -impose that choice. - -This section is intended to make thoroughly clear what is believed to -be a consequence of the rest of this License. - - 8. If the distribution and/or use of the Program is restricted in -certain countries either by patents or by copyrighted interfaces, the -original copyright holder who places the Program under this License -may add an explicit geographical distribution limitation excluding -those countries, so that distribution is permitted only in or among -countries not thus excluded. In such case, this License incorporates -the limitation as if written in the body of this License. - - 9. The Free Software Foundation may publish revised and/or new versions -of the General Public License from time to time. Such new versions will -be similar in spirit to the present version, but may differ in detail to -address new problems or concerns. - -Each version is given a distinguishing version number. If the Program -specifies a version number of this License which applies to it and "any -later version", you have the option of following the terms and conditions -either of that version or of any later version published by the Free -Software Foundation. If the Program does not specify a version number of -this License, you may choose any version ever published by the Free Software -Foundation. - - 10. If you wish to incorporate parts of the Program into other free -programs whose distribution conditions are different, write to the author -to ask for permission. For software which is copyrighted by the Free -Software Foundation, write to the Free Software Foundation; we sometimes -make exceptions for this. Our decision will be guided by the two goals -of preserving the free status of all derivatives of our free software and -of promoting the sharing and reuse of software generally. - - NO WARRANTY - - 11. BECAUSE THE PROGRAM IS LICENSED FREE OF CHARGE, THERE IS NO WARRANTY -FOR THE PROGRAM, TO THE EXTENT PERMITTED BY APPLICABLE LAW. EXCEPT WHEN -OTHERWISE STATED IN WRITING THE COPYRIGHT HOLDERS AND/OR OTHER PARTIES -PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY OF ANY KIND, EITHER EXPRESSED -OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF -MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE. THE ENTIRE RISK AS -TO THE QUALITY AND PERFORMANCE OF THE PROGRAM IS WITH YOU. SHOULD THE -PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF ALL NECESSARY SERVICING, -REPAIR OR CORRECTION. - - 12. IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING -WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MAY MODIFY AND/OR -REDISTRIBUTE THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, -INCLUDING ANY GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING -OUT OF THE USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED -TO LOSS OF DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY -YOU OR THIRD PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER -PROGRAMS), EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE -POSSIBILITY OF SUCH DAMAGES. - - END OF TERMS AND CONDITIONS - - How to Apply These Terms to Your New Programs - - If you develop a new program, and you want it to be of the greatest -possible use to the public, the best way to achieve this is to make it -free software which everyone can redistribute and change under these terms. - - To do so, attach the following notices to the program. It is safest -to attach them to the start of each source file to most effectively -convey the exclusion of warranty; and each file should have at least -the "copyright" line and a pointer to where the full notice is found. - - - Copyright (C) 19yy - - This program is free software; you can redistribute it and/or modify - it under the terms of the GNU General Public License as published by - the Free Software Foundation; either version 2 of the License, or - (at your option) any later version. - - This program is distributed in the hope that it will be useful, - but WITHOUT ANY WARRANTY; without even the implied warranty of - MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the - GNU General Public License for more details. - - You should have received a copy of the GNU General Public License - along with this program; if not, write to the Free Software - Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA - - -Also add information on how to contact you by electronic and paper mail. - -If the program is interactive, make it output a short notice like this -when it starts in an interactive mode: - - Gnomovision version 69, Copyright (C) 19yy name of author - Gnomovision comes with ABSOLUTELY NO WARRANTY; for details type `show w'. - This is free software, and you are welcome to redistribute it - under certain conditions; type `show c' for details. - -The hypothetical commands `show w' and `show c' should show the appropriate -parts of the General Public License. Of course, the commands you use may -be called something other than `show w' and `show c'; they could even be -mouse-clicks or menu items--whatever suits your program. - -You should also get your employer (if you work as a programmer) or your -school, if any, to sign a "copyright disclaimer" for the program, if -necessary. Here is a sample; alter the names: - - Yoyodyne, Inc., hereby disclaims all copyright interest in the program - `Gnomovision' (which makes passes at compilers) written by James Hacker. - - , 1 April 1989 - Ty Coon, President of Vice - -This General Public License does not permit incorporating your program into -proprietary programs. If your program is a subroutine library, you may -consider it more useful to permit linking proprietary applications with the -library. If this is what you want to do, use the GNU Library General -Public License instead of this License. diff --git a/mathmech/mm/INSTALL b/mathmech/mm/INSTALL deleted file mode 100644 index 93ebd11..0000000 --- a/mathmech/mm/INSTALL +++ /dev/null @@ -1,16 +0,0 @@ -CMakeFlags: - -DCMAKE_INSTALL_PREFIX= - install prefix (default is '/usr/local') - -DADD_INCLUDE=1 - install include files (default is disable) - -DADD_DOCS=1 - install documentation (default is disable) - -DWITH_DEBUG_MODE=1 - compile with flag '-g' (default is disable) - -DMM_PREFIX - prefix for mm components (test flag) - -Install for Linux: - mkdir build && cd build - cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=Release ../ - make - make install -Install for Windows: - create project file using 'cmake' - compile project -You may also download compiled executable file for Win_x86. diff --git a/mathmech/mm/README b/mathmech/mm/README index 8a55980..7c46128 100644 --- a/mathmech/mm/README +++ b/mathmech/mm/README @@ -1,13 +1,3 @@ -mm_trj2pdb - program that creates PDB file from trajetory snapshot -Version: 1.1.1 +libmm is a library for "mm" project +Version: 1.2.0 License: GPL - -Usage: - mm_trj2pdb -i FILENAME -o FILEMANE [ -l LOGFILE ] [ -q ] [ -h ] - -Parametrs: - -i - input file name - -o - output file name - -l - log enable - -q - quiet enable - -h - show this help and exit diff --git a/mathmech/mm/doxygen.cmake b/mathmech/mm/doxygen.cmake deleted file mode 100644 index 282d456..0000000 --- a/mathmech/mm/doxygen.cmake +++ /dev/null @@ -1,13 +0,0 @@ -# build docs -find_package (Doxygen) -if (DOXYGEN_FOUND) - set (PROJECT_DOCS_DIR ${CMAKE_CURRENT_SOURCE_DIR}/docs/html) - set (DOXYGEN_INPUT ${CMAKE_CURRENT_SOURCE_DIR}) - configure_file (${CMAKE_CURRENT_SOURCE_DIR}/mm.doxygen ${CMAKE_CURRENT_BINARY_DIR}/doxygen.conf) - add_custom_target (docs COMMAND ${DOXYGEN_EXECUTABLE} ${CMAKE_CURRENT_BINARY_DIR}/doxygen.conf) -else (DOXYGEN_FOUND) - message (STATUS "WARNING: Doxygen not found - Reference manual will not be created") -endif () - -# instal properties -# install (DIRECTORY ${PROJECT_DOCS_DIR} DESTINATION share/doc/${PROJECT_LONG}) diff --git a/mathmech/mm/logo.png b/mathmech/mm/logo.png deleted file mode 100755 index 41adc0c..0000000 Binary files a/mathmech/mm/logo.png and /dev/null differ diff --git a/mathmech/mm/mm.cmake b/mathmech/mm/mm.cmake index 1f3058a..21c545c 100644 --- a/mathmech/mm/mm.cmake +++ b/mathmech/mm/mm.cmake @@ -1,10 +1,10 @@ # set directories -set (PROJECT_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/src) -set (PROJECT_INCLUDE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/include) +set (SUBPROJECT_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/src) +set (SUBPROJECT_INCLUDE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/include) # include_path -include_directories (${PROJECT_INCLUDE_DIR} - ${PROJECT_SOURCE_DIR}) +include_directories (${SUBPROJECT_INCLUDE_DIR} + ${SUBPROJECT_SOURCE_DIR}) # verbose set (CMAKE_VERBOSE_MAKEFILE ON) diff --git a/mathmech/mm/mm.doxygen b/mathmech/mm/mm.doxygen deleted file mode 100644 index a9fb22c..0000000 --- a/mathmech/mm/mm.doxygen +++ /dev/null @@ -1,2314 +0,0 @@ -# Doxyfile 1.8.6 - -# This file describes the settings to be used by the documentation system -# doxygen (www.doxygen.org) for a project. -# -# All text after a double hash (##) is considered a comment and is placed in -# front of the TAG it is preceding. -# -# All text after a single hash (#) is considered a comment and will be ignored. -# The format is: -# TAG = value [value, ...] -# For lists, items can also be appended using: -# TAG += value [value, ...] -# Values that contain spaces should be placed between quotes (\" \"). - -#--------------------------------------------------------------------------- -# Project related configuration options -#--------------------------------------------------------------------------- - -# This tag specifies the encoding used for all characters in the config file -# that follow. The default is UTF-8 which is also the encoding used for all text -# before the first occurrence of this tag. Doxygen uses libiconv (or the iconv -# built into libc) for the transcoding. See http://www.gnu.org/software/libiconv -# for the list of possible encodings. -# The default value is: UTF-8. - -DOXYFILE_ENCODING = UTF-8 - -# The PROJECT_NAME tag is a single word (or a sequence of words surrounded by -# double-quotes, unless you are using Doxywizard) that should identify the -# project for which the documentation is generated. This name is used in the -# title of most generated pages and in a few other places. -# The default value is: My Project. - -PROJECT_NAME = libmm - -# The PROJECT_NUMBER tag can be used to enter a project or revision number. This -# could be handy for archiving the generated documentation or if some version -# control system is used. - -PROJECT_NUMBER = V.1.1.1 - -# Using the PROJECT_BRIEF tag one can provide an optional one line description -# for a project that appears at the top of each page and should give viewer a -# quick idea about the purpose of the project. Keep the description short. - -PROJECT_BRIEF = "Program that creates PDB file from trajectory snapshot" - -# With the PROJECT_LOGO tag one can specify an logo or icon that is included in -# the documentation. The maximum height of the logo should not exceed 55 pixels -# and the maximum width should not exceed 200 pixels. Doxygen will copy the logo -# to the output directory. - -PROJECT_LOGO = ./logo.png - -# The OUTPUT_DIRECTORY tag is used to specify the (relative or absolute) path -# into which the generated documentation will be written. If a relative path is -# entered, it will be relative to the location where doxygen was started. If -# left blank the current directory will be used. - -OUTPUT_DIRECTORY = ./docs - -# If the CREATE_SUBDIRS tag is set to YES, then doxygen will create 4096 sub- -# directories (in 2 levels) under the output directory of each output format and -# will distribute the generated files over these directories. Enabling this -# option can be useful when feeding doxygen a huge amount of source files, where -# putting all generated files in the same directory would otherwise causes -# performance problems for the file system. -# The default value is: NO. - -CREATE_SUBDIRS = NO - -# The OUTPUT_LANGUAGE tag is used to specify the language in which all -# documentation generated by doxygen is written. Doxygen will use this -# information to generate all constant output in the proper language. -# Possible values are: Afrikaans, Arabic, Armenian, Brazilian, Catalan, Chinese, -# Chinese-Traditional, Croatian, Czech, Danish, Dutch, English (United States), -# Esperanto, Farsi (Persian), Finnish, French, German, Greek, Hungarian, -# Indonesian, Italian, Japanese, Japanese-en (Japanese with English messages), -# Korean, Korean-en (Korean with English messages), Latvian, Lithuanian, -# Macedonian, Norwegian, Persian (Farsi), Polish, Portuguese, Romanian, Russian, -# Serbian, Serbian-Cyrillic, Slovak, Slovene, Spanish, Swedish, Turkish, -# Ukrainian and Vietnamese. -# The default value is: English. - -OUTPUT_LANGUAGE = English - -# If the BRIEF_MEMBER_DESC tag is set to YES doxygen will include brief member -# descriptions after the members that are listed in the file and class -# documentation (similar to Javadoc). Set to NO to disable this. -# The default value is: YES. - -BRIEF_MEMBER_DESC = YES - -# If the REPEAT_BRIEF tag is set to YES doxygen will prepend the brief -# description of a member or function before the detailed description -# -# Note: If both HIDE_UNDOC_MEMBERS and BRIEF_MEMBER_DESC are set to NO, the -# brief descriptions will be completely suppressed. -# The default value is: YES. - -REPEAT_BRIEF = YES - -# This tag implements a quasi-intelligent brief description abbreviator that is -# used to form the text in various listings. Each string in this list, if found -# as the leading text of the brief description, will be stripped from the text -# and the result, after processing the whole list, is used as the annotated -# text. Otherwise, the brief description is used as-is. If left blank, the -# following values are used ($name is automatically replaced with the name of -# the entity):The $name class, The $name widget, The $name file, is, provides, -# specifies, contains, represents, a, an and the. - -ABBREVIATE_BRIEF = "The $name class" \ - "The $name widget" \ - "The $name file" \ - is \ - provides \ - specifies \ - contains \ - represents \ - a \ - an \ - the - -# If the ALWAYS_DETAILED_SEC and REPEAT_BRIEF tags are both set to YES then -# doxygen will generate a detailed section even if there is only a brief -# description. -# The default value is: NO. - -ALWAYS_DETAILED_SEC = NO - -# If the INLINE_INHERITED_MEMB tag is set to YES, doxygen will show all -# inherited members of a class in the documentation of that class as if those -# members were ordinary class members. Constructors, destructors and assignment -# operators of the base classes will not be shown. -# The default value is: NO. - -INLINE_INHERITED_MEMB = NO - -# If the FULL_PATH_NAMES tag is set to YES doxygen will prepend the full path -# before files name in the file list and in the header files. If set to NO the -# shortest path that makes the file name unique will be used -# The default value is: YES. - -FULL_PATH_NAMES = YES - -# The STRIP_FROM_PATH tag can be used to strip a user-defined part of the path. -# Stripping is only done if one of the specified strings matches the left-hand -# part of the path. The tag can be used to show relative paths in the file list. -# If left blank the directory from which doxygen is run is used as the path to -# strip. -# -# Note that you can specify absolute paths here, but also relative paths, which -# will be relative from the directory where doxygen is started. -# This tag requires that the tag FULL_PATH_NAMES is set to YES. - -STRIP_FROM_PATH = - -# The STRIP_FROM_INC_PATH tag can be used to strip a user-defined part of the -# path mentioned in the documentation of a class, which tells the reader which -# header file to include in order to use a class. If left blank only the name of -# the header file containing the class definition is used. Otherwise one should -# specify the list of include paths that are normally passed to the compiler -# using the -I flag. - -STRIP_FROM_INC_PATH = - -# If the SHORT_NAMES tag is set to YES, doxygen will generate much shorter (but -# less readable) file names. This can be useful is your file systems doesn't -# support long names like on DOS, Mac, or CD-ROM. -# The default value is: NO. - -SHORT_NAMES = NO - -# If the JAVADOC_AUTOBRIEF tag is set to YES then doxygen will interpret the -# first line (until the first dot) of a Javadoc-style comment as the brief -# description. If set to NO, the Javadoc-style will behave just like regular Qt- -# style comments (thus requiring an explicit @brief command for a brief -# description.) -# The default value is: NO. - -JAVADOC_AUTOBRIEF = NO - -# If the QT_AUTOBRIEF tag is set to YES then doxygen will interpret the first -# line (until the first dot) of a Qt-style comment as the brief description. If -# set to NO, the Qt-style will behave just like regular Qt-style comments (thus -# requiring an explicit \brief command for a brief description.) -# The default value is: NO. - -QT_AUTOBRIEF = NO - -# The MULTILINE_CPP_IS_BRIEF tag can be set to YES to make doxygen treat a -# multi-line C++ special comment block (i.e. a block of //! or /// comments) as -# a brief description. This used to be the default behavior. The new default is -# to treat a multi-line C++ comment block as a detailed description. Set this -# tag to YES if you prefer the old behavior instead. -# -# Note that setting this tag to YES also means that rational rose comments are -# not recognized any more. -# The default value is: NO. - -MULTILINE_CPP_IS_BRIEF = NO - -# If the INHERIT_DOCS tag is set to YES then an undocumented member inherits the -# documentation from any documented member that it re-implements. -# The default value is: YES. - -INHERIT_DOCS = YES - -# If the SEPARATE_MEMBER_PAGES tag is set to YES, then doxygen will produce a -# new page for each member. If set to NO, the documentation of a member will be -# part of the file/class/namespace that contains it. -# The default value is: NO. - -SEPARATE_MEMBER_PAGES = NO - -# The TAB_SIZE tag can be used to set the number of spaces in a tab. Doxygen -# uses this value to replace tabs by spaces in code fragments. -# Minimum value: 1, maximum value: 16, default value: 4. - -TAB_SIZE = 4 - -# This tag can be used to specify a number of aliases that act as commands in -# the documentation. An alias has the form: -# name=value -# For example adding -# "sideeffect=@par Side Effects:\n" -# will allow you to put the command \sideeffect (or @sideeffect) in the -# documentation, which will result in a user-defined paragraph with heading -# "Side Effects:". You can put \n's in the value part of an alias to insert -# newlines. - -ALIASES = - -# This tag can be used to specify a number of word-keyword mappings (TCL only). -# A mapping has the form "name=value". For example adding "class=itcl::class" -# will allow you to use the command class in the itcl::class meaning. - -TCL_SUBST = - -# Set the OPTIMIZE_OUTPUT_FOR_C tag to YES if your project consists of C sources -# only. Doxygen will then generate output that is more tailored for C. For -# instance, some of the names that are used will be different. The list of all -# members will be omitted, etc. -# The default value is: NO. - -OPTIMIZE_OUTPUT_FOR_C = YES - -# Set the OPTIMIZE_OUTPUT_JAVA tag to YES if your project consists of Java or -# Python sources only. Doxygen will then generate output that is more tailored -# for that language. For instance, namespaces will be presented as packages, -# qualified scopes will look different, etc. -# The default value is: NO. - -OPTIMIZE_OUTPUT_JAVA = NO - -# Set the OPTIMIZE_FOR_FORTRAN tag to YES if your project consists of Fortran -# sources. Doxygen will then generate output that is tailored for Fortran. -# The default value is: NO. - -OPTIMIZE_FOR_FORTRAN = NO - -# Set the OPTIMIZE_OUTPUT_VHDL tag to YES if your project consists of VHDL -# sources. Doxygen will then generate output that is tailored for VHDL. -# The default value is: NO. - -OPTIMIZE_OUTPUT_VHDL = NO - -# Doxygen selects the parser to use depending on the extension of the files it -# parses. With this tag you can assign which parser to use for a given -# extension. Doxygen has a built-in mapping, but you can override or extend it -# using this tag. The format is ext=language, where ext is a file extension, and -# language is one of the parsers supported by doxygen: IDL, Java, Javascript, -# C#, C, C++, D, PHP, Objective-C, Python, Fortran, VHDL. For instance to make -# doxygen treat .inc files as Fortran files (default is PHP), and .f files as C -# (default is Fortran), use: inc=Fortran f=C. -# -# Note For files without extension you can use no_extension as a placeholder. -# -# Note that for custom extensions you also need to set FILE_PATTERNS otherwise -# the files are not read by doxygen. - -EXTENSION_MAPPING = - -# If the MARKDOWN_SUPPORT tag is enabled then doxygen pre-processes all comments -# according to the Markdown format, which allows for more readable -# documentation. See http://daringfireball.net/projects/markdown/ for details. -# The output of markdown processing is further processed by doxygen, so you can -# mix doxygen, HTML, and XML commands with Markdown formatting. Disable only in -# case of backward compatibilities issues. -# The default value is: YES. - -MARKDOWN_SUPPORT = YES - -# When enabled doxygen tries to link words that correspond to documented -# classes, or namespaces to their corresponding documentation. Such a link can -# be prevented in individual cases by by putting a % sign in front of the word -# or globally by setting AUTOLINK_SUPPORT to NO. -# The default value is: YES. - -AUTOLINK_SUPPORT = YES - -# If you use STL classes (i.e. std::string, std::vector, etc.) but do not want -# to include (a tag file for) the STL sources as input, then you should set this -# tag to YES in order to let doxygen match functions declarations and -# definitions whose arguments contain STL classes (e.g. func(std::string); -# versus func(std::string) {}). This also make the inheritance and collaboration -# diagrams that involve STL classes more complete and accurate. -# The default value is: NO. - -BUILTIN_STL_SUPPORT = NO - -# If you use Microsoft's C++/CLI language, you should set this option to YES to -# enable parsing support. -# The default value is: NO. - -CPP_CLI_SUPPORT = NO - -# Set the SIP_SUPPORT tag to YES if your project consists of sip (see: -# http://www.riverbankcomputing.co.uk/software/sip/intro) sources only. Doxygen -# will parse them like normal C++ but will assume all classes use public instead -# of private inheritance when no explicit protection keyword is present. -# The default value is: NO. - -SIP_SUPPORT = NO - -# For Microsoft's IDL there are propget and propput attributes to indicate -# getter and setter methods for a property. Setting this option to YES will make -# doxygen to replace the get and set methods by a property in the documentation. -# This will only work if the methods are indeed getting or setting a simple -# type. If this is not the case, or you want to show the methods anyway, you -# should set this option to NO. -# The default value is: YES. - -IDL_PROPERTY_SUPPORT = YES - -# If member grouping is used in the documentation and the DISTRIBUTE_GROUP_DOC -# tag is set to YES, then doxygen will reuse the documentation of the first -# member in the group (if any) for the other members of the group. By default -# all members of a group must be documented explicitly. -# The default value is: NO. - -DISTRIBUTE_GROUP_DOC = NO - -# Set the SUBGROUPING tag to YES to allow class member groups of the same type -# (for instance a group of public functions) to be put as a subgroup of that -# type (e.g. under the Public Functions section). Set it to NO to prevent -# subgrouping. Alternatively, this can be done per class using the -# \nosubgrouping command. -# The default value is: YES. - -SUBGROUPING = YES - -# When the INLINE_GROUPED_CLASSES tag is set to YES, classes, structs and unions -# are shown inside the group in which they are included (e.g. using \ingroup) -# instead of on a separate page (for HTML and Man pages) or section (for LaTeX -# and RTF). -# -# Note that this feature does not work in combination with -# SEPARATE_MEMBER_PAGES. -# The default value is: NO. - -INLINE_GROUPED_CLASSES = NO - -# When the INLINE_SIMPLE_STRUCTS tag is set to YES, structs, classes, and unions -# with only public data fields or simple typedef fields will be shown inline in -# the documentation of the scope in which they are defined (i.e. file, -# namespace, or group documentation), provided this scope is documented. If set -# to NO, structs, classes, and unions are shown on a separate page (for HTML and -# Man pages) or section (for LaTeX and RTF). -# The default value is: NO. - -INLINE_SIMPLE_STRUCTS = NO - -# When TYPEDEF_HIDES_STRUCT tag is enabled, a typedef of a struct, union, or -# enum is documented as struct, union, or enum with the name of the typedef. So -# typedef struct TypeS {} TypeT, will appear in the documentation as a struct -# with name TypeT. When disabled the typedef will appear as a member of a file, -# namespace, or class. And the struct will be named TypeS. This can typically be -# useful for C code in case the coding convention dictates that all compound -# types are typedef'ed and only the typedef is referenced, never the tag name. -# The default value is: NO. - -TYPEDEF_HIDES_STRUCT = NO - -# The size of the symbol lookup cache can be set using LOOKUP_CACHE_SIZE. This -# cache is used to resolve symbols given their name and scope. Since this can be -# an expensive process and often the same symbol appears multiple times in the -# code, doxygen keeps a cache of pre-resolved symbols. If the cache is too small -# doxygen will become slower. If the cache is too large, memory is wasted. The -# cache size is given by this formula: 2^(16+LOOKUP_CACHE_SIZE). The valid range -# is 0..9, the default is 0, corresponding to a cache size of 2^16=65536 -# symbols. At the end of a run doxygen will report the cache usage and suggest -# the optimal cache size from a speed point of view. -# Minimum value: 0, maximum value: 9, default value: 0. - -LOOKUP_CACHE_SIZE = 0 - -#--------------------------------------------------------------------------- -# Build related configuration options -#--------------------------------------------------------------------------- - -# If the EXTRACT_ALL tag is set to YES doxygen will assume all entities in -# documentation are documented, even if no documentation was available. Private -# class members and static file members will be hidden unless the -# EXTRACT_PRIVATE respectively EXTRACT_STATIC tags are set to YES. -# Note: This will also disable the warnings about undocumented members that are -# normally produced when WARNINGS is set to YES. -# The default value is: NO. - -EXTRACT_ALL = YES - -# If the EXTRACT_PRIVATE tag is set to YES all private members of a class will -# be included in the documentation. -# The default value is: NO. - -EXTRACT_PRIVATE = NO - -# If the EXTRACT_PACKAGE tag is set to YES all members with package or internal -# scope will be included in the documentation. -# The default value is: NO. - -EXTRACT_PACKAGE = NO - -# If the EXTRACT_STATIC tag is set to YES all static members of a file will be -# included in the documentation. -# The default value is: NO. - -EXTRACT_STATIC = NO - -# If the EXTRACT_LOCAL_CLASSES tag is set to YES classes (and structs) defined -# locally in source files will be included in the documentation. If set to NO -# only classes defined in header files are included. Does not have any effect -# for Java sources. -# The default value is: YES. - -EXTRACT_LOCAL_CLASSES = YES - -# This flag is only useful for Objective-C code. When set to YES local methods, -# which are defined in the implementation section but not in the interface are -# included in the documentation. If set to NO only methods in the interface are -# included. -# The default value is: NO. - -EXTRACT_LOCAL_METHODS = NO - -# If this flag is set to YES, the members of anonymous namespaces will be -# extracted and appear in the documentation as a namespace called -# 'anonymous_namespace{file}', where file will be replaced with the base name of -# the file that contains the anonymous namespace. By default anonymous namespace -# are hidden. -# The default value is: NO. - -EXTRACT_ANON_NSPACES = NO - -# If the HIDE_UNDOC_MEMBERS tag is set to YES, doxygen will hide all -# undocumented members inside documented classes or files. If set to NO these -# members will be included in the various overviews, but no documentation -# section is generated. This option has no effect if EXTRACT_ALL is enabled. -# The default value is: NO. - -HIDE_UNDOC_MEMBERS = NO - -# If the HIDE_UNDOC_CLASSES tag is set to YES, doxygen will hide all -# undocumented classes that are normally visible in the class hierarchy. If set -# to NO these classes will be included in the various overviews. This option has -# no effect if EXTRACT_ALL is enabled. -# The default value is: NO. - -HIDE_UNDOC_CLASSES = NO - -# If the HIDE_FRIEND_COMPOUNDS tag is set to YES, doxygen will hide all friend -# (class|struct|union) declarations. If set to NO these declarations will be -# included in the documentation. -# The default value is: NO. - -HIDE_FRIEND_COMPOUNDS = NO - -# If the HIDE_IN_BODY_DOCS tag is set to YES, doxygen will hide any -# documentation blocks found inside the body of a function. If set to NO these -# blocks will be appended to the function's detailed documentation block. -# The default value is: NO. - -HIDE_IN_BODY_DOCS = NO - -# The INTERNAL_DOCS tag determines if documentation that is typed after a -# \internal command is included. If the tag is set to NO then the documentation -# will be excluded. Set it to YES to include the internal documentation. -# The default value is: NO. - -INTERNAL_DOCS = NO - -# If the CASE_SENSE_NAMES tag is set to NO then doxygen will only generate file -# names in lower-case letters. If set to YES upper-case letters are also -# allowed. This is useful if you have classes or files whose names only differ -# in case and if your file system supports case sensitive file names. Windows -# and Mac users are advised to set this option to NO. -# The default value is: system dependent. - -CASE_SENSE_NAMES = NO - -# If the HIDE_SCOPE_NAMES tag is set to NO then doxygen will show members with -# their full class and namespace scopes in the documentation. If set to YES the -# scope will be hidden. -# The default value is: NO. - -HIDE_SCOPE_NAMES = YES - -# If the SHOW_INCLUDE_FILES tag is set to YES then doxygen will put a list of -# the files that are included by a file in the documentation of that file. -# The default value is: YES. - -SHOW_INCLUDE_FILES = YES - -# If the SHOW_GROUPED_MEMB_INC tag is set to YES then Doxygen will add for each -# grouped member an include statement to the documentation, telling the reader -# which file to include in order to use the member. -# The default value is: NO. - -SHOW_GROUPED_MEMB_INC = NO - -# If the FORCE_LOCAL_INCLUDES tag is set to YES then doxygen will list include -# files with double quotes in the documentation rather than with sharp brackets. -# The default value is: NO. - -FORCE_LOCAL_INCLUDES = NO - -# If the INLINE_INFO tag is set to YES then a tag [inline] is inserted in the -# documentation for inline members. -# The default value is: YES. - -INLINE_INFO = YES - -# If the SORT_MEMBER_DOCS tag is set to YES then doxygen will sort the -# (detailed) documentation of file and class members alphabetically by member -# name. If set to NO the members will appear in declaration order. -# The default value is: YES. - -SORT_MEMBER_DOCS = YES - -# If the SORT_BRIEF_DOCS tag is set to YES then doxygen will sort the brief -# descriptions of file, namespace and class members alphabetically by member -# name. If set to NO the members will appear in declaration order. Note that -# this will also influence the order of the classes in the class list. -# The default value is: NO. - -SORT_BRIEF_DOCS = NO - -# If the SORT_MEMBERS_CTORS_1ST tag is set to YES then doxygen will sort the -# (brief and detailed) documentation of class members so that constructors and -# destructors are listed first. If set to NO the constructors will appear in the -# respective orders defined by SORT_BRIEF_DOCS and SORT_MEMBER_DOCS. -# Note: If SORT_BRIEF_DOCS is set to NO this option is ignored for sorting brief -# member documentation. -# Note: If SORT_MEMBER_DOCS is set to NO this option is ignored for sorting -# detailed member documentation. -# The default value is: NO. - -SORT_MEMBERS_CTORS_1ST = NO - -# If the SORT_GROUP_NAMES tag is set to YES then doxygen will sort the hierarchy -# of group names into alphabetical order. If set to NO the group names will -# appear in their defined order. -# The default value is: NO. - -SORT_GROUP_NAMES = NO - -# If the SORT_BY_SCOPE_NAME tag is set to YES, the class list will be sorted by -# fully-qualified names, including namespaces. If set to NO, the class list will -# be sorted only by class name, not including the namespace part. -# Note: This option is not very useful if HIDE_SCOPE_NAMES is set to YES. -# Note: This option applies only to the class list, not to the alphabetical -# list. -# The default value is: NO. - -SORT_BY_SCOPE_NAME = NO - -# If the STRICT_PROTO_MATCHING option is enabled and doxygen fails to do proper -# type resolution of all parameters of a function it will reject a match between -# the prototype and the implementation of a member function even if there is -# only one candidate or it is obvious which candidate to choose by doing a -# simple string match. By disabling STRICT_PROTO_MATCHING doxygen will still -# accept a match between prototype and implementation in such cases. -# The default value is: NO. - -STRICT_PROTO_MATCHING = NO - -# The GENERATE_TODOLIST tag can be used to enable ( YES) or disable ( NO) the -# todo list. This list is created by putting \todo commands in the -# documentation. -# The default value is: YES. - -GENERATE_TODOLIST = YES - -# The GENERATE_TESTLIST tag can be used to enable ( YES) or disable ( NO) the -# test list. This list is created by putting \test commands in the -# documentation. -# The default value is: YES. - -GENERATE_TESTLIST = YES - -# The GENERATE_BUGLIST tag can be used to enable ( YES) or disable ( NO) the bug -# list. This list is created by putting \bug commands in the documentation. -# The default value is: YES. - -GENERATE_BUGLIST = YES - -# The GENERATE_DEPRECATEDLIST tag can be used to enable ( YES) or disable ( NO) -# the deprecated list. This list is created by putting \deprecated commands in -# the documentation. -# The default value is: YES. - -GENERATE_DEPRECATEDLIST= YES - -# The ENABLED_SECTIONS tag can be used to enable conditional documentation -# sections, marked by \if ... \endif and \cond -# ... \endcond blocks. - -ENABLED_SECTIONS = - -# The MAX_INITIALIZER_LINES tag determines the maximum number of lines that the -# initial value of a variable or macro / define can have for it to appear in the -# documentation. If the initializer consists of more lines than specified here -# it will be hidden. Use a value of 0 to hide initializers completely. The -# appearance of the value of individual variables and macros / defines can be -# controlled using \showinitializer or \hideinitializer command in the -# documentation regardless of this setting. -# Minimum value: 0, maximum value: 10000, default value: 30. - -MAX_INITIALIZER_LINES = 30 - -# Set the SHOW_USED_FILES tag to NO to disable the list of files generated at -# the bottom of the documentation of classes and structs. If set to YES the list -# will mention the files that were used to generate the documentation. -# The default value is: YES. - -SHOW_USED_FILES = YES - -# Set the SHOW_FILES tag to NO to disable the generation of the Files page. This -# will remove the Files entry from the Quick Index and from the Folder Tree View -# (if specified). -# The default value is: YES. - -SHOW_FILES = YES - -# Set the SHOW_NAMESPACES tag to NO to disable the generation of the Namespaces -# page. This will remove the Namespaces entry from the Quick Index and from the -# Folder Tree View (if specified). -# The default value is: YES. - -SHOW_NAMESPACES = YES - -# The FILE_VERSION_FILTER tag can be used to specify a program or script that -# doxygen should invoke to get the current version for each file (typically from -# the version control system). Doxygen will invoke the program by executing (via -# popen()) the command command input-file, where command is the value of the -# FILE_VERSION_FILTER tag, and input-file is the name of an input file provided -# by doxygen. Whatever the program writes to standard output is used as the file -# version. For an example see the documentation. - -FILE_VERSION_FILTER = - -# The LAYOUT_FILE tag can be used to specify a layout file which will be parsed -# by doxygen. The layout file controls the global structure of the generated -# output files in an output format independent way. To create the layout file -# that represents doxygen's defaults, run doxygen with the -l option. You can -# optionally specify a file name after the option, if omitted DoxygenLayout.xml -# will be used as the name of the layout file. -# -# Note that if you run doxygen from a directory containing a file called -# DoxygenLayout.xml, doxygen will parse it automatically even if the LAYOUT_FILE -# tag is left empty. - -LAYOUT_FILE = - -# The CITE_BIB_FILES tag can be used to specify one or more bib files containing -# the reference definitions. This must be a list of .bib files. The .bib -# extension is automatically appended if omitted. This requires the bibtex tool -# to be installed. See also http://en.wikipedia.org/wiki/BibTeX for more info. -# For LaTeX the style of the bibliography can be controlled using -# LATEX_BIB_STYLE. To use this feature you need bibtex and perl available in the -# search path. Do not use file names with spaces, bibtex cannot handle them. See -# also \cite for info how to create references. - -CITE_BIB_FILES = - -#--------------------------------------------------------------------------- -# Configuration options related to warning and progress messages -#--------------------------------------------------------------------------- - -# The QUIET tag can be used to turn on/off the messages that are generated to -# standard output by doxygen. If QUIET is set to YES this implies that the -# messages are off. -# The default value is: NO. - -QUIET = NO - -# The WARNINGS tag can be used to turn on/off the warning messages that are -# generated to standard error ( stderr) by doxygen. If WARNINGS is set to YES -# this implies that the warnings are on. -# -# Tip: Turn warnings on while writing the documentation. -# The default value is: YES. - -WARNINGS = YES - -# If the WARN_IF_UNDOCUMENTED tag is set to YES, then doxygen will generate -# warnings for undocumented members. If EXTRACT_ALL is set to YES then this flag -# will automatically be disabled. -# The default value is: YES. - -WARN_IF_UNDOCUMENTED = YES - -# If the WARN_IF_DOC_ERROR tag is set to YES, doxygen will generate warnings for -# potential errors in the documentation, such as not documenting some parameters -# in a documented function, or documenting parameters that don't exist or using -# markup commands wrongly. -# The default value is: YES. - -WARN_IF_DOC_ERROR = YES - -# This WARN_NO_PARAMDOC option can be enabled to get warnings for functions that -# are documented, but have no documentation for their parameters or return -# value. If set to NO doxygen will only warn about wrong or incomplete parameter -# documentation, but not about the absence of documentation. -# The default value is: NO. - -WARN_NO_PARAMDOC = NO - -# The WARN_FORMAT tag determines the format of the warning messages that doxygen -# can produce. The string should contain the $file, $line, and $text tags, which -# will be replaced by the file and line number from which the warning originated -# and the warning text. Optionally the format may contain $version, which will -# be replaced by the version of the file (if it could be obtained via -# FILE_VERSION_FILTER) -# The default value is: $file:$line: $text. - -WARN_FORMAT = "$file:$line: $text" - -# The WARN_LOGFILE tag can be used to specify a file to which warning and error -# messages should be written. If left blank the output is written to standard -# error (stderr). - -WARN_LOGFILE = - -#--------------------------------------------------------------------------- -# Configuration options related to the input files -#--------------------------------------------------------------------------- - -# The INPUT tag is used to specify the files and/or directories that contain -# documented source files. You may enter file names like myfile.cpp or -# directories like /usr/src/myproject. Separate the files or directories with -# spaces. -# Note: If this tag is empty the current directory is searched. - -INPUT = . - -# This tag can be used to specify the character encoding of the source files -# that doxygen parses. Internally doxygen uses the UTF-8 encoding. Doxygen uses -# libiconv (or the iconv built into libc) for the transcoding. See the libiconv -# documentation (see: http://www.gnu.org/software/libiconv) for the list of -# possible encodings. -# The default value is: UTF-8. - -INPUT_ENCODING = UTF-8 - -# If the value of the INPUT tag contains directories, you can use the -# FILE_PATTERNS tag to specify one or more wildcard patterns (like *.cpp and -# *.h) to filter out the source-files in the directories. If left blank the -# following patterns are tested:*.c, *.cc, *.cxx, *.cpp, *.c++, *.java, *.ii, -# *.ixx, *.ipp, *.i++, *.inl, *.idl, *.ddl, *.odl, *.h, *.hh, *.hxx, *.hpp, -# *.h++, *.cs, *.d, *.php, *.php4, *.php5, *.phtml, *.inc, *.m, *.markdown, -# *.md, *.mm, *.dox, *.py, *.f90, *.f, *.for, *.tcl, *.vhd, *.vhdl, *.ucf, -# *.qsf, *.as and *.js. - -FILE_PATTERNS = *.c \ - *.dox - -# The RECURSIVE tag can be used to specify whether or not subdirectories should -# be searched for input files as well. -# The default value is: NO. - -RECURSIVE = YES - -# The EXCLUDE tag can be used to specify files and/or directories that should be -# excluded from the INPUT source files. This way you can easily exclude a -# subdirectory from a directory tree whose root is specified with the INPUT tag. -# -# Note that relative paths are relative to the directory from which doxygen is -# run. - -EXCLUDE = - -# The EXCLUDE_SYMLINKS tag can be used to select whether or not files or -# directories that are symbolic links (a Unix file system feature) are excluded -# from the input. -# The default value is: NO. - -EXCLUDE_SYMLINKS = NO - -# If the value of the INPUT tag contains directories, you can use the -# EXCLUDE_PATTERNS tag to specify one or more wildcard patterns to exclude -# certain files from those directories. -# -# Note that the wildcards are matched against the file with absolute path, so to -# exclude all test directories for example use the pattern */test/* - -EXCLUDE_PATTERNS = - -# The EXCLUDE_SYMBOLS tag can be used to specify one or more symbol names -# (namespaces, classes, functions, etc.) that should be excluded from the -# output. The symbol name can be a fully qualified name, a word, or if the -# wildcard * is used, a substring. Examples: ANamespace, AClass, -# AClass::ANamespace, ANamespace::*Test -# -# Note that the wildcards are matched against the file with absolute path, so to -# exclude all test directories use the pattern */test/* - -EXCLUDE_SYMBOLS = - -# The EXAMPLE_PATH tag can be used to specify one or more files or directories -# that contain example code fragments that are included (see the \include -# command). - -EXAMPLE_PATH = - -# If the value of the EXAMPLE_PATH tag contains directories, you can use the -# EXAMPLE_PATTERNS tag to specify one or more wildcard pattern (like *.cpp and -# *.h) to filter out the source-files in the directories. If left blank all -# files are included. - -EXAMPLE_PATTERNS = * - -# If the EXAMPLE_RECURSIVE tag is set to YES then subdirectories will be -# searched for input files to be used with the \include or \dontinclude commands -# irrespective of the value of the RECURSIVE tag. -# The default value is: NO. - -EXAMPLE_RECURSIVE = NO - -# The IMAGE_PATH tag can be used to specify one or more files or directories -# that contain images that are to be included in the documentation (see the -# \image command). - -IMAGE_PATH = - -# The INPUT_FILTER tag can be used to specify a program that doxygen should -# invoke to filter for each input file. Doxygen will invoke the filter program -# by executing (via popen()) the command: -# -# -# -# where is the value of the INPUT_FILTER tag, and is the -# name of an input file. Doxygen will then use the output that the filter -# program writes to standard output. If FILTER_PATTERNS is specified, this tag -# will be ignored. -# -# Note that the filter must not add or remove lines; it is applied before the -# code is scanned, but not when the output code is generated. If lines are added -# or removed, the anchors will not be placed correctly. - -INPUT_FILTER = - -# The FILTER_PATTERNS tag can be used to specify filters on a per file pattern -# basis. Doxygen will compare the file name with each pattern and apply the -# filter if there is a match. The filters are a list of the form: pattern=filter -# (like *.cpp=my_cpp_filter). See INPUT_FILTER for further information on how -# filters are used. If the FILTER_PATTERNS tag is empty or if none of the -# patterns match the file name, INPUT_FILTER is applied. - -FILTER_PATTERNS = - -# If the FILTER_SOURCE_FILES tag is set to YES, the input filter (if set using -# INPUT_FILTER ) will also be used to filter the input files that are used for -# producing the source files to browse (i.e. when SOURCE_BROWSER is set to YES). -# The default value is: NO. - -FILTER_SOURCE_FILES = NO - -# The FILTER_SOURCE_PATTERNS tag can be used to specify source filters per file -# pattern. A pattern will override the setting for FILTER_PATTERN (if any) and -# it is also possible to disable source filtering for a specific pattern using -# *.ext= (so without naming a filter). -# This tag requires that the tag FILTER_SOURCE_FILES is set to YES. - -FILTER_SOURCE_PATTERNS = - -# If the USE_MDFILE_AS_MAINPAGE tag refers to the name of a markdown file that -# is part of the input, its contents will be placed on the main page -# (index.html). This can be useful if you have a project on for instance GitHub -# and want to reuse the introduction page also for the doxygen output. - -USE_MDFILE_AS_MAINPAGE = - -#--------------------------------------------------------------------------- -# Configuration options related to source browsing -#--------------------------------------------------------------------------- - -# If the SOURCE_BROWSER tag is set to YES then a list of source files will be -# generated. Documented entities will be cross-referenced with these sources. -# -# Note: To get rid of all source code in the generated output, make sure that -# also VERBATIM_HEADERS is set to NO. -# The default value is: NO. - -SOURCE_BROWSER = NO - -# Setting the INLINE_SOURCES tag to YES will include the body of functions, -# classes and enums directly into the documentation. -# The default value is: NO. - -INLINE_SOURCES = NO - -# Setting the STRIP_CODE_COMMENTS tag to YES will instruct doxygen to hide any -# special comment blocks from generated source code fragments. Normal C, C++ and -# Fortran comments will always remain visible. -# The default value is: YES. - -STRIP_CODE_COMMENTS = YES - -# If the REFERENCED_BY_RELATION tag is set to YES then for each documented -# function all documented functions referencing it will be listed. -# The default value is: NO. - -REFERENCED_BY_RELATION = NO - -# If the REFERENCES_RELATION tag is set to YES then for each documented function -# all documented entities called/used by that function will be listed. -# The default value is: NO. - -REFERENCES_RELATION = NO - -# If the REFERENCES_LINK_SOURCE tag is set to YES and SOURCE_BROWSER tag is set -# to YES, then the hyperlinks from functions in REFERENCES_RELATION and -# REFERENCED_BY_RELATION lists will link to the source code. Otherwise they will -# link to the documentation. -# The default value is: YES. - -REFERENCES_LINK_SOURCE = YES - -# If SOURCE_TOOLTIPS is enabled (the default) then hovering a hyperlink in the -# source code will show a tooltip with additional information such as prototype, -# brief description and links to the definition and documentation. Since this -# will make the HTML file larger and loading of large files a bit slower, you -# can opt to disable this feature. -# The default value is: YES. -# This tag requires that the tag SOURCE_BROWSER is set to YES. - -SOURCE_TOOLTIPS = YES - -# If the USE_HTAGS tag is set to YES then the references to source code will -# point to the HTML generated by the htags(1) tool instead of doxygen built-in -# source browser. The htags tool is part of GNU's global source tagging system -# (see http://www.gnu.org/software/global/global.html). You will need version -# 4.8.6 or higher. -# -# To use it do the following: -# - Install the latest version of global -# - Enable SOURCE_BROWSER and USE_HTAGS in the config file -# - Make sure the INPUT points to the root of the source tree -# - Run doxygen as normal -# -# Doxygen will invoke htags (and that will in turn invoke gtags), so these -# tools must be available from the command line (i.e. in the search path). -# -# The result: instead of the source browser generated by doxygen, the links to -# source code will now point to the output of htags. -# The default value is: NO. -# This tag requires that the tag SOURCE_BROWSER is set to YES. - -USE_HTAGS = NO - -# If the VERBATIM_HEADERS tag is set the YES then doxygen will generate a -# verbatim copy of the header file for each class for which an include is -# specified. Set to NO to disable this. -# See also: Section \class. -# The default value is: YES. - -VERBATIM_HEADERS = YES - -#--------------------------------------------------------------------------- -# Configuration options related to the alphabetical class index -#--------------------------------------------------------------------------- - -# If the ALPHABETICAL_INDEX tag is set to YES, an alphabetical index of all -# compounds will be generated. Enable this if the project contains a lot of -# classes, structs, unions or interfaces. -# The default value is: YES. - -ALPHABETICAL_INDEX = YES - -# The COLS_IN_ALPHA_INDEX tag can be used to specify the number of columns in -# which the alphabetical index list will be split. -# Minimum value: 1, maximum value: 20, default value: 5. -# This tag requires that the tag ALPHABETICAL_INDEX is set to YES. - -COLS_IN_ALPHA_INDEX = 5 - -# In case all classes in a project start with a common prefix, all classes will -# be put under the same header in the alphabetical index. The IGNORE_PREFIX tag -# can be used to specify a prefix (or a list of prefixes) that should be ignored -# while generating the index headers. -# This tag requires that the tag ALPHABETICAL_INDEX is set to YES. - -IGNORE_PREFIX = - -#--------------------------------------------------------------------------- -# Configuration options related to the HTML output -#--------------------------------------------------------------------------- - -# If the GENERATE_HTML tag is set to YES doxygen will generate HTML output -# The default value is: YES. - -GENERATE_HTML = YES - -# The HTML_OUTPUT tag is used to specify where the HTML docs will be put. If a -# relative path is entered the value of OUTPUT_DIRECTORY will be put in front of -# it. -# The default directory is: html. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_OUTPUT = html - -# The HTML_FILE_EXTENSION tag can be used to specify the file extension for each -# generated HTML page (for example: .htm, .php, .asp). -# The default value is: .html. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_FILE_EXTENSION = .html - -# The HTML_HEADER tag can be used to specify a user-defined HTML header file for -# each generated HTML page. If the tag is left blank doxygen will generate a -# standard header. -# -# To get valid HTML the header file that includes any scripts and style sheets -# that doxygen needs, which is dependent on the configuration options used (e.g. -# the setting GENERATE_TREEVIEW). It is highly recommended to start with a -# default header using -# doxygen -w html new_header.html new_footer.html new_stylesheet.css -# YourConfigFile -# and then modify the file new_header.html. See also section "Doxygen usage" -# for information on how to generate the default header that doxygen normally -# uses. -# Note: The header is subject to change so you typically have to regenerate the -# default header when upgrading to a newer version of doxygen. For a description -# of the possible markers and block names see the documentation. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_HEADER = - -# The HTML_FOOTER tag can be used to specify a user-defined HTML footer for each -# generated HTML page. If the tag is left blank doxygen will generate a standard -# footer. See HTML_HEADER for more information on how to generate a default -# footer and what special commands can be used inside the footer. See also -# section "Doxygen usage" for information on how to generate the default footer -# that doxygen normally uses. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_FOOTER = - -# The HTML_STYLESHEET tag can be used to specify a user-defined cascading style -# sheet that is used by each HTML page. It can be used to fine-tune the look of -# the HTML output. If left blank doxygen will generate a default style sheet. -# See also section "Doxygen usage" for information on how to generate the style -# sheet that doxygen normally uses. -# Note: It is recommended to use HTML_EXTRA_STYLESHEET instead of this tag, as -# it is more robust and this tag (HTML_STYLESHEET) will in the future become -# obsolete. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_STYLESHEET = - -# The HTML_EXTRA_STYLESHEET tag can be used to specify an additional user- -# defined cascading style sheet that is included after the standard style sheets -# created by doxygen. Using this option one can overrule certain style aspects. -# This is preferred over using HTML_STYLESHEET since it does not replace the -# standard style sheet and is therefor more robust against future updates. -# Doxygen will copy the style sheet file to the output directory. For an example -# see the documentation. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_EXTRA_STYLESHEET = - -# The HTML_EXTRA_FILES tag can be used to specify one or more extra images or -# other source files which should be copied to the HTML output directory. Note -# that these files will be copied to the base HTML output directory. Use the -# $relpath^ marker in the HTML_HEADER and/or HTML_FOOTER files to load these -# files. In the HTML_STYLESHEET file, use the file name only. Also note that the -# files will be copied as-is; there are no commands or markers available. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_EXTRA_FILES = - -# The HTML_COLORSTYLE_HUE tag controls the color of the HTML output. Doxygen -# will adjust the colors in the stylesheet and background images according to -# this color. Hue is specified as an angle on a colorwheel, see -# http://en.wikipedia.org/wiki/Hue for more information. For instance the value -# 0 represents red, 60 is yellow, 120 is green, 180 is cyan, 240 is blue, 300 -# purple, and 360 is red again. -# Minimum value: 0, maximum value: 359, default value: 220. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_COLORSTYLE_HUE = 220 - -# The HTML_COLORSTYLE_SAT tag controls the purity (or saturation) of the colors -# in the HTML output. For a value of 0 the output will use grayscales only. A -# value of 255 will produce the most vivid colors. -# Minimum value: 0, maximum value: 255, default value: 100. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_COLORSTYLE_SAT = 100 - -# The HTML_COLORSTYLE_GAMMA tag controls the gamma correction applied to the -# luminance component of the colors in the HTML output. Values below 100 -# gradually make the output lighter, whereas values above 100 make the output -# darker. The value divided by 100 is the actual gamma applied, so 80 represents -# a gamma of 0.8, The value 220 represents a gamma of 2.2, and 100 does not -# change the gamma. -# Minimum value: 40, maximum value: 240, default value: 80. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_COLORSTYLE_GAMMA = 80 - -# If the HTML_TIMESTAMP tag is set to YES then the footer of each generated HTML -# page will contain the date and time when the page was generated. Setting this -# to NO can help when comparing the output of multiple runs. -# The default value is: YES. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_TIMESTAMP = YES - -# If the HTML_DYNAMIC_SECTIONS tag is set to YES then the generated HTML -# documentation will contain sections that can be hidden and shown after the -# page has loaded. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_DYNAMIC_SECTIONS = NO - -# With HTML_INDEX_NUM_ENTRIES one can control the preferred number of entries -# shown in the various tree structured indices initially; the user can expand -# and collapse entries dynamically later on. Doxygen will expand the tree to -# such a level that at most the specified number of entries are visible (unless -# a fully collapsed tree already exceeds this amount). So setting the number of -# entries 1 will produce a full collapsed tree by default. 0 is a special value -# representing an infinite number of entries and will result in a full expanded -# tree by default. -# Minimum value: 0, maximum value: 9999, default value: 100. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_INDEX_NUM_ENTRIES = 100 - -# If the GENERATE_DOCSET tag is set to YES, additional index files will be -# generated that can be used as input for Apple's Xcode 3 integrated development -# environment (see: http://developer.apple.com/tools/xcode/), introduced with -# OSX 10.5 (Leopard). To create a documentation set, doxygen will generate a -# Makefile in the HTML output directory. Running make will produce the docset in -# that directory and running make install will install the docset in -# ~/Library/Developer/Shared/Documentation/DocSets so that Xcode will find it at -# startup. See http://developer.apple.com/tools/creatingdocsetswithdoxygen.html -# for more information. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -GENERATE_DOCSET = NO - -# This tag determines the name of the docset feed. A documentation feed provides -# an umbrella under which multiple documentation sets from a single provider -# (such as a company or product suite) can be grouped. -# The default value is: Doxygen generated docs. -# This tag requires that the tag GENERATE_DOCSET is set to YES. - -DOCSET_FEEDNAME = "Doxygen generated docs" - -# This tag specifies a string that should uniquely identify the documentation -# set bundle. This should be a reverse domain-name style string, e.g. -# com.mycompany.MyDocSet. Doxygen will append .docset to the name. -# The default value is: org.doxygen.Project. -# This tag requires that the tag GENERATE_DOCSET is set to YES. - -DOCSET_BUNDLE_ID = org.doxygen.Project - -# The DOCSET_PUBLISHER_ID tag specifies a string that should uniquely identify -# the documentation publisher. This should be a reverse domain-name style -# string, e.g. com.mycompany.MyDocSet.documentation. -# The default value is: org.doxygen.Publisher. -# This tag requires that the tag GENERATE_DOCSET is set to YES. - -DOCSET_PUBLISHER_ID = org.doxygen.Publisher - -# The DOCSET_PUBLISHER_NAME tag identifies the documentation publisher. -# The default value is: Publisher. -# This tag requires that the tag GENERATE_DOCSET is set to YES. - -DOCSET_PUBLISHER_NAME = Publisher - -# If the GENERATE_HTMLHELP tag is set to YES then doxygen generates three -# additional HTML index files: index.hhp, index.hhc, and index.hhk. The -# index.hhp is a project file that can be read by Microsoft's HTML Help Workshop -# (see: http://www.microsoft.com/en-us/download/details.aspx?id=21138) on -# Windows. -# -# The HTML Help Workshop contains a compiler that can convert all HTML output -# generated by doxygen into a single compiled HTML file (.chm). Compiled HTML -# files are now used as the Windows 98 help format, and will replace the old -# Windows help format (.hlp) on all Windows platforms in the future. Compressed -# HTML files also contain an index, a table of contents, and you can search for -# words in the documentation. The HTML workshop also contains a viewer for -# compressed HTML files. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -GENERATE_HTMLHELP = NO - -# The CHM_FILE tag can be used to specify the file name of the resulting .chm -# file. You can add a path in front of the file if the result should not be -# written to the html output directory. -# This tag requires that the tag GENERATE_HTMLHELP is set to YES. - -CHM_FILE = - -# The HHC_LOCATION tag can be used to specify the location (absolute path -# including file name) of the HTML help compiler ( hhc.exe). If non-empty -# doxygen will try to run the HTML help compiler on the generated index.hhp. -# The file has to be specified with full path. -# This tag requires that the tag GENERATE_HTMLHELP is set to YES. - -HHC_LOCATION = - -# The GENERATE_CHI flag controls if a separate .chi index file is generated ( -# YES) or that it should be included in the master .chm file ( NO). -# The default value is: NO. -# This tag requires that the tag GENERATE_HTMLHELP is set to YES. - -GENERATE_CHI = NO - -# The CHM_INDEX_ENCODING is used to encode HtmlHelp index ( hhk), content ( hhc) -# and project file content. -# This tag requires that the tag GENERATE_HTMLHELP is set to YES. - -CHM_INDEX_ENCODING = - -# The BINARY_TOC flag controls whether a binary table of contents is generated ( -# YES) or a normal table of contents ( NO) in the .chm file. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTMLHELP is set to YES. - -BINARY_TOC = NO - -# The TOC_EXPAND flag can be set to YES to add extra items for group members to -# the table of contents of the HTML help documentation and to the tree view. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTMLHELP is set to YES. - -TOC_EXPAND = NO - -# If the GENERATE_QHP tag is set to YES and both QHP_NAMESPACE and -# QHP_VIRTUAL_FOLDER are set, an additional index file will be generated that -# can be used as input for Qt's qhelpgenerator to generate a Qt Compressed Help -# (.qch) of the generated HTML documentation. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -GENERATE_QHP = NO - -# If the QHG_LOCATION tag is specified, the QCH_FILE tag can be used to specify -# the file name of the resulting .qch file. The path specified is relative to -# the HTML output folder. -# This tag requires that the tag GENERATE_QHP is set to YES. - -QCH_FILE = - -# The QHP_NAMESPACE tag specifies the namespace to use when generating Qt Help -# Project output. For more information please see Qt Help Project / Namespace -# (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#namespace). -# The default value is: org.doxygen.Project. -# This tag requires that the tag GENERATE_QHP is set to YES. - -QHP_NAMESPACE = org.doxygen.Project - -# The QHP_VIRTUAL_FOLDER tag specifies the namespace to use when generating Qt -# Help Project output. For more information please see Qt Help Project / Virtual -# Folders (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#virtual- -# folders). -# The default value is: doc. -# This tag requires that the tag GENERATE_QHP is set to YES. - -QHP_VIRTUAL_FOLDER = doc - -# If the QHP_CUST_FILTER_NAME tag is set, it specifies the name of a custom -# filter to add. For more information please see Qt Help Project / Custom -# Filters (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#custom- -# filters). -# This tag requires that the tag GENERATE_QHP is set to YES. - -QHP_CUST_FILTER_NAME = - -# The QHP_CUST_FILTER_ATTRS tag specifies the list of the attributes of the -# custom filter to add. For more information please see Qt Help Project / Custom -# Filters (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#custom- -# filters). -# This tag requires that the tag GENERATE_QHP is set to YES. - -QHP_CUST_FILTER_ATTRS = - -# The QHP_SECT_FILTER_ATTRS tag specifies the list of the attributes this -# project's filter section matches. Qt Help Project / Filter Attributes (see: -# http://qt-project.org/doc/qt-4.8/qthelpproject.html#filter-attributes). -# This tag requires that the tag GENERATE_QHP is set to YES. - -QHP_SECT_FILTER_ATTRS = - -# The QHG_LOCATION tag can be used to specify the location of Qt's -# qhelpgenerator. If non-empty doxygen will try to run qhelpgenerator on the -# generated .qhp file. -# This tag requires that the tag GENERATE_QHP is set to YES. - -QHG_LOCATION = - -# If the GENERATE_ECLIPSEHELP tag is set to YES, additional index files will be -# generated, together with the HTML files, they form an Eclipse help plugin. To -# install this plugin and make it available under the help contents menu in -# Eclipse, the contents of the directory containing the HTML and XML files needs -# to be copied into the plugins directory of eclipse. The name of the directory -# within the plugins directory should be the same as the ECLIPSE_DOC_ID value. -# After copying Eclipse needs to be restarted before the help appears. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -GENERATE_ECLIPSEHELP = NO - -# A unique identifier for the Eclipse help plugin. When installing the plugin -# the directory name containing the HTML and XML files should also have this -# name. Each documentation set should have its own identifier. -# The default value is: org.doxygen.Project. -# This tag requires that the tag GENERATE_ECLIPSEHELP is set to YES. - -ECLIPSE_DOC_ID = org.doxygen.Project - -# If you want full control over the layout of the generated HTML pages it might -# be necessary to disable the index and replace it with your own. The -# DISABLE_INDEX tag can be used to turn on/off the condensed index (tabs) at top -# of each HTML page. A value of NO enables the index and the value YES disables -# it. Since the tabs in the index contain the same information as the navigation -# tree, you can set this option to YES if you also set GENERATE_TREEVIEW to YES. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -DISABLE_INDEX = NO - -# The GENERATE_TREEVIEW tag is used to specify whether a tree-like index -# structure should be generated to display hierarchical information. If the tag -# value is set to YES, a side panel will be generated containing a tree-like -# index structure (just like the one that is generated for HTML Help). For this -# to work a browser that supports JavaScript, DHTML, CSS and frames is required -# (i.e. any modern browser). Windows users are probably better off using the -# HTML help feature. Via custom stylesheets (see HTML_EXTRA_STYLESHEET) one can -# further fine-tune the look of the index. As an example, the default style -# sheet generated by doxygen has an example that shows how to put an image at -# the root of the tree instead of the PROJECT_NAME. Since the tree basically has -# the same information as the tab index, you could consider setting -# DISABLE_INDEX to YES when enabling this option. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -GENERATE_TREEVIEW = NO - -# The ENUM_VALUES_PER_LINE tag can be used to set the number of enum values that -# doxygen will group on one line in the generated HTML documentation. -# -# Note that a value of 0 will completely suppress the enum values from appearing -# in the overview section. -# Minimum value: 0, maximum value: 20, default value: 4. -# This tag requires that the tag GENERATE_HTML is set to YES. - -ENUM_VALUES_PER_LINE = 4 - -# If the treeview is enabled (see GENERATE_TREEVIEW) then this tag can be used -# to set the initial width (in pixels) of the frame in which the tree is shown. -# Minimum value: 0, maximum value: 1500, default value: 250. -# This tag requires that the tag GENERATE_HTML is set to YES. - -TREEVIEW_WIDTH = 250 - -# When the EXT_LINKS_IN_WINDOW option is set to YES doxygen will open links to -# external symbols imported via tag files in a separate window. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -EXT_LINKS_IN_WINDOW = NO - -# Use this tag to change the font size of LaTeX formulas included as images in -# the HTML documentation. When you change the font size after a successful -# doxygen run you need to manually remove any form_*.png images from the HTML -# output directory to force them to be regenerated. -# Minimum value: 8, maximum value: 50, default value: 10. -# This tag requires that the tag GENERATE_HTML is set to YES. - -FORMULA_FONTSIZE = 10 - -# Use the FORMULA_TRANPARENT tag to determine whether or not the images -# generated for formulas are transparent PNGs. Transparent PNGs are not -# supported properly for IE 6.0, but are supported on all modern browsers. -# -# Note that when changing this option you need to delete any form_*.png files in -# the HTML output directory before the changes have effect. -# The default value is: YES. -# This tag requires that the tag GENERATE_HTML is set to YES. - -FORMULA_TRANSPARENT = YES - -# Enable the USE_MATHJAX option to render LaTeX formulas using MathJax (see -# http://www.mathjax.org) which uses client side Javascript for the rendering -# instead of using prerendered bitmaps. Use this if you do not have LaTeX -# installed or if you want to formulas look prettier in the HTML output. When -# enabled you may also need to install MathJax separately and configure the path -# to it using the MATHJAX_RELPATH option. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -USE_MATHJAX = NO - -# When MathJax is enabled you can set the default output format to be used for -# the MathJax output. See the MathJax site (see: -# http://docs.mathjax.org/en/latest/output.html) for more details. -# Possible values are: HTML-CSS (which is slower, but has the best -# compatibility), NativeMML (i.e. MathML) and SVG. -# The default value is: HTML-CSS. -# This tag requires that the tag USE_MATHJAX is set to YES. - -MATHJAX_FORMAT = HTML-CSS - -# When MathJax is enabled you need to specify the location relative to the HTML -# output directory using the MATHJAX_RELPATH option. The destination directory -# should contain the MathJax.js script. For instance, if the mathjax directory -# is located at the same level as the HTML output directory, then -# MATHJAX_RELPATH should be ../mathjax. The default value points to the MathJax -# Content Delivery Network so you can quickly see the result without installing -# MathJax. However, it is strongly recommended to install a local copy of -# MathJax from http://www.mathjax.org before deployment. -# The default value is: http://cdn.mathjax.org/mathjax/latest. -# This tag requires that the tag USE_MATHJAX is set to YES. - -MATHJAX_RELPATH = http://cdn.mathjax.org/mathjax/latest - -# The MATHJAX_EXTENSIONS tag can be used to specify one or more MathJax -# extension names that should be enabled during MathJax rendering. For example -# MATHJAX_EXTENSIONS = TeX/AMSmath TeX/AMSsymbols -# This tag requires that the tag USE_MATHJAX is set to YES. - -MATHJAX_EXTENSIONS = - -# The MATHJAX_CODEFILE tag can be used to specify a file with javascript pieces -# of code that will be used on startup of the MathJax code. See the MathJax site -# (see: http://docs.mathjax.org/en/latest/output.html) for more details. For an -# example see the documentation. -# This tag requires that the tag USE_MATHJAX is set to YES. - -MATHJAX_CODEFILE = - -# When the SEARCHENGINE tag is enabled doxygen will generate a search box for -# the HTML output. The underlying search engine uses javascript and DHTML and -# should work on any modern browser. Note that when using HTML help -# (GENERATE_HTMLHELP), Qt help (GENERATE_QHP), or docsets (GENERATE_DOCSET) -# there is already a search function so this one should typically be disabled. -# For large projects the javascript based search engine can be slow, then -# enabling SERVER_BASED_SEARCH may provide a better solution. It is possible to -# search using the keyboard; to jump to the search box use + S -# (what the is depends on the OS and browser, but it is typically -# , /