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Added CMakeLists.txt

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This commit is contained in:
arcan1s
2013-08-23 22:08:37 +04:00
parent 94a30b0e09
commit d3ecedbd6b
13 changed files with 1080 additions and 44 deletions
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54
mathmech/Makefile
View File

@ -1,9 +1,9 @@
#############################################################################
# Makefile for building: mathmech
# Generated by qmake (2.01a) (Qt 4.8.5) on: ?? ??? 10 04:06:18 2013
# Generated by qmake (2.01a) (Qt 4.8.5) on: ?? ??? 23 22:01:14 2013
# Project: mathmech.pro
# Template: app
# Command: /usr/lib/qt4/bin/qmake -o Makefile mathmech.pro
# Command: /usr/bin/qmake-qt4 -o Makefile mathmech.pro
#############################################################################
####### Compiler, tools and options
@ -19,7 +19,7 @@ LFLAGS = -Wl,-O1,--sort-common,--as-needed,-z,relro -Wl,-O1 -lrt
LIBS = $(SUBLIBS) -L/usr/lib -L/usr/lib -lqwt -lQtSvg -lQtGui -lQtCore -lpthread
AR = ar cqs
RANLIB =
QMAKE = /usr/lib/qt4/bin/qmake
QMAKE = /usr/bin/qmake-qt4
TAR = tar -cf
COMPRESS = gzip -9f
COPY = cp -f
@ -323,15 +323,17 @@ compiler_clean: compiler_moc_header_clean compiler_uic_clean
main.o: main.cpp mainwindow.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o main.o main.cpp
mainwindow.o: mainwindow.cpp mainwindow.h \
ui_mainwindow.h \
aboutwindow.h \
mainwindow.o: mainwindow.cpp aboutwindow.h \
agglwindow.h \
aglallwindow.h \
atomtypeswindow.h \
settingswindow.h \
clear_items.h \
start_events.h \
update_fields.h
statgengraphwindow.h \
update_fields.h \
mainwindow.h \
ui_mainwindow.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o mainwindow.o mainwindow.cpp
errorwindow.o: errorwindow.cpp errorwindow.h \
@ -343,29 +345,25 @@ clear_items.o: clear_items.cpp clear_items.h \
ui_mainwindow.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o clear_items.o clear_items.cpp
start_events.o: start_events.cpp start_events.h \
mainwindow.h \
start_events.o: start_events.cpp mainwindow.h \
ui_mainwindow.h \
errorwindow.h \
ui_errorwindow.h \
statgengraphwindow.h
start_events.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o start_events.o start_events.cpp
update_fields.o: update_fields.cpp update_fields.h \
mainwindow.h \
ui_mainwindow.h
update_fields.o: update_fields.cpp mainwindow.h \
ui_mainwindow.h \
update_fields.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o update_fields.o update_fields.cpp
atomtypeswindow.o: atomtypeswindow.cpp atomtypeswindow.h \
ui_atomtypeswindow.h \
errorwindow.h \
ui_errorwindow.h
atomtypeswindow.o: atomtypeswindow.cpp errorwindow.h \
atomtypeswindow.h \
ui_atomtypeswindow.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o atomtypeswindow.o atomtypeswindow.cpp
agglwindow.o: agglwindow.cpp agglwindow.h \
ui_agglwindow.h \
errorwindow.h \
ui_errorwindow.h
agglwindow.o: agglwindow.cpp errorwindow.h \
agglwindow.h \
ui_agglwindow.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o agglwindow.o agglwindow.cpp
aboutwindow.o: aboutwindow.cpp aboutwindow.h \
@ -376,15 +374,15 @@ statgengraphwindow.o: statgengraphwindow.cpp statgengraphwindow.h \
ui_statgengraphwindow.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o statgengraphwindow.o statgengraphwindow.cpp
settingswindow.o: settingswindow.cpp settingswindow.h \
ui_settingswindow.h \
errorwindow.h \
ui_errorwindow.h \
settingswindow.o: settingswindow.cpp errorwindow.h \
mainwindow.h \
ui_mainwindow.h
ui_mainwindow.h \
settingswindow.h \
ui_settingswindow.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o settingswindow.o settingswindow.cpp
aglallwindow.o: aglallwindow.cpp aglallwindow.h \
aglallwindow.o: aglallwindow.cpp errorwindow.h \
aglallwindow.h \
ui_aglallwindow.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o aglallwindow.o aglallwindow.cpp

121
mathmech/build/CMakeLists.txt Normal file
View File

@ -0,0 +1,121 @@
cmake_minimum_required (VERSION 2.6)
set (PROJECT mathmech)
# additional options
OPTION (WITH_DEBUG_MODE "Build with debug mode" OFF)
OPTION (ADD_INCLUDE "Add include files" OFF)
# executable path
set (EXECUTABLE_OUTPUT_PATH ${${PROJECT}_BINARY_DIR})
# verbose
set (CMAKE_VERBOSE_MAKEFILE ON)
# flags
if ( WITH_DEBUG_MODE )
add_definitions ( -DDEBUG_MODE=1 )
endif ()
if ( CMAKE_COMPILER_IS_GNUCXX )
set (ADD_CXX_FLAGS "-Wall")
set (CMAKE_CXX_FLAGS "-O0 ${ADD_CXX_FLAGS}")
set (CMAKE_CXX_FLAGS_DEBUG "-g -O0")
set (CMAKE_CXX_FLAGS_RELEASE "-O3 -DNDEBUG")
elseif ( MSVC )
set (ADD_CXX_FLAGS "/W4")
set (CMAKE_CXX_FLAGS "${ADD_CXX_FLAGS}")
else ()
message ("Unknown compiler")
endif ()
# set directories
set (${PROJECT}_BINARY_DIR ../bin)
set (${PROJECT}_RESOURCE_DIR ../resources)
set (${PROJECT}_TRANSLATION_DIR ${${PROJECT}_RESOURCE_DIR}/translations)
# set files
set (HEADERS
../aboutwindow.h
../aglallwindow.h
../agglwindow.h
../atomtypeswindow.h
../clear_items.h
../errorwindow.h
../mainwindow.h
../settingswindow.h
../start_events.h
../statgengraphwindow.h
../update_fields.h)
set (SOURCES
../aboutwindow.cpp
../aglallwindow.cpp
../agglwindow.cpp
../atomtypeswindow.cpp
../clear_items.cpp
../errorwindow.cpp
../main.cpp
../mainwindow.cpp
../settingswindow.cpp
../start_events.cpp
../statgengraphwindow.cpp
../update_fields.cpp)
set (FORMS
../aboutwindow.ui
../agglwindow.ui
../aglallwindow.ui
../atomtypeswindow.ui
../errorwindow.ui
../mainwindow.ui
../settingswindow.ui
../statgengraphwindow.ui)
# set library
if (CMAKE_COMPILER_IS_GNUCXX)
set (LIBRARIES m)
else ()
set (LIBRARIES)
endif()
set (LANGUAGES
eng
rus)
set (RESOURCES
${${PROJECT}_RESOURCE_DIR}/resources.qrc)
# compile
project (${PROJECT})
include_directories (../
${CMAKE_CURRENT_BINARY_DIR})
find_package (Qt4 REQUIRED)
include (${QT_USE_FILE})
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 (TRANSLATIONS ${TRANSLATIONS} ${TS})
set (TRANSLATIONS_BINARY ${TRANSLATIONS_BINARY} ${QM})
add_custom_command (
OUTPUT ${QM}
COMMAND ${QT_LRELEASE_EXECUTABLE} ${TS}
MAIN_DEPENDENCY ${TS})
endforeach()
add_custom_target (
translations
COMMAND ${QT_LUPDATE_EXECUTABLE} ${HEADERS} ${SOURCES} -ts ${TRANSLATIONS})
add_custom_command (
TARGET translations
COMMAND ${QT_LRELEASE_EXECUTABLE} ${TRANSLATIONS})
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})
# install properties
INSTALL (TARGETS ${PROJECT} DESTINATION bin)

5
mathmech/errorwindow.cpp
View File

@ -55,10 +55,7 @@ void ErrorWindow::set_message(int mess)
message = QApplication::translate("ErrorWindow", "Invalid file type");
break;
case 12:
break;
case 13:
message = QApplication::translate("ErrorWindow", "Interaction step is not set");
break;
default:
message = QApplication::translate("ErrorWindow", "Unknown error");

40
mathmech/mainwindow.cpp
View File

@ -663,6 +663,9 @@ void MainWindow::start_events_statgen()
depth.setNum(ui->statgen_spinBox_depth->value());
else
depth = QString("#");
float int_step;
if (ui->statgen_checkBox_anal->checkState() == 2)
int_step = ui->statgen_doubleSpinBox_anal->value();
QString log;
if (ui->statgen_checkBox_log->checkState() == 2)
log = ui->statgen_lineEdit_log->text();
@ -671,17 +674,32 @@ void MainWindow::start_events_statgen()
ui->statusBar->showMessage(QApplication::translate("MainWindow", "Processing 'statgen'..."));
ui->statusBar->showMessage(QApplication::translate("MainWindow", "Processing 'statgen'..."));
bool check = start_events->start_statgen(mm_statgen_path,
workDir,
mask,
firstStep,
lastStep,
cellX, cellY, cellZ,
atom0, atom1, atom2, atom3,
inter,
output,
depth,
log);
bool check;
if (ui->statgen_checkBox_anal->checkState() == 0)
check = start_events->start_statgen(mm_statgen_path,
workDir,
mask,
firstStep,
lastStep,
cellX, cellY, cellZ,
atom0, atom1, atom2, atom3,
inter,
output,
depth,
log);
else if (ui->statgen_checkBox_anal->checkState() == 2)
check = start_events->start_statgen_analysis(mm_statgen_path,
workDir,
mask,
firstStep,
lastStep,
cellX, cellY, cellZ,
atom0, atom1, atom2, atom3,
inter,
output,
depth,
log,
int_step);
ui->statusBar->showMessage(QApplication::translate("MainWindow", "Done"));
if ((ui->statgen_checkBox_graph->checkState() == 2) && (check == true))

BIN
mathmech/mathmech
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Binary file not shown.

2
mathmech/mathmech.pro.user
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@ -1,6 +1,6 @@
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE QtCreatorProject>
<!-- Written by QtCreator 2.8.0, 2013-08-11T18:31:29. -->
<!-- Written by QtCreator 2.8.0, 2013-08-23T22:01:33. -->
<qtcreator>
<data>
<variable>ProjectExplorer.Project.ActiveTarget</variable>

6
mathmech/resources/resources.qrc Normal file
View File

@ -0,0 +1,6 @@
<!DOCTYPE RCC><RCC version="1.0">
<qresource>
<file>translations/rus.qm</file>
<file>translations/eng.qm</file>
</qresource>
</RCC>

1
mathmech/resources/translations/eng.qm Normal file
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@ -0,0 +1 @@
<<3C>d<18><EFBFBD>!<1C>`<60><><EFBFBD>

378
mathmech/resources/translations/eng.ts Normal file
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@ -0,0 +1,378 @@
<?xml version="1.0" encoding="utf-8"?>
<!DOCTYPE TS>
<TS version="2.0">
<context>
<name>AgglWindow</name>
<message>
<location filename="../../agglwindow.cpp" line="37"/>
<source>Select file</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../agglwindow.cpp" line="39"/>
<source>&apos;statgen&apos; output files (*.dat);;All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../agglwindow.cpp" line="137"/>
<source>Save file as...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../agglwindow.cpp" line="139"/>
<source>Agglomerate files (*.agl);;All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
</context>
<context>
<name>AglAll</name>
<message>
<location filename="../../aglallwindow.cpp" line="82"/>
<location filename="../../aglallwindow.cpp" line="83"/>
<source>Processing &apos;agl&apos;...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../aglallwindow.cpp" line="207"/>
<source>Done</source>
<translation type="unfinished"></translation>
</message>
</context>
<context>
<name>AglAllWindow</name>
<message>
<location filename="../../aglallwindow.cpp" line="44"/>
<source>Select work directory</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../aglallwindow.cpp" line="54"/>
<source>Select trajectory file</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../aglallwindow.cpp" line="56"/>
<source>&apos;statgen&apos; output files (*.dat);;All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../aglallwindow.cpp" line="65"/>
<source>Save file as...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../aglallwindow.cpp" line="67"/>
<source>PDB files (*.pdb);;All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
</context>
<context>
<name>AtomTypesWindow</name>
<message>
<location filename="../../atomtypeswindow.cpp" line="87"/>
<location filename="../../atomtypeswindow.cpp" line="100"/>
<location filename="../../atomtypeswindow.cpp" line="103"/>
<source>Add new molecule</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../atomtypeswindow.cpp" line="42"/>
<source>Save file as...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../atomtypeswindow.cpp" line="44"/>
<source>Atom types files (*.types);;All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
</context>
<context>
<name>ErrorWindow</name>
<message>
<location filename="../../errorwindow.cpp" line="22"/>
<source>Work directory does not exists</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="25"/>
<source>Input file is not set</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="28"/>
<source>Atoms in plane must be different</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="31"/>
<source>Atom types file is not set</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="34"/>
<source>Output file is not set</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="37"/>
<source>Atom type must contain 2 characters</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="40"/>
<source>Log file is not set</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="43"/>
<source>Component is not found</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="46"/>
<source>Atom types is not set</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="49"/>
<source>Something wrong</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="52"/>
<source>Interactions are not set</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="55"/>
<source>Invalid file type</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="58"/>
<source>Interaction step is not set</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="61"/>
<source>Unknown error</source>
<translation type="unfinished"></translation>
</message>
</context>
<context>
<name>MainWindow</name>
<message>
<location filename="../../mainwindow.cpp" line="26"/>
<source>Ready</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="236"/>
<location filename="../../mainwindow.cpp" line="290"/>
<location filename="../../mainwindow.cpp" line="333"/>
<location filename="../../mainwindow.cpp" line="376"/>
<location filename="../../mainwindow.cpp" line="419"/>
<source>Select work directory</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="246"/>
<location filename="../../mainwindow.cpp" line="343"/>
<location filename="../../mainwindow.cpp" line="429"/>
<source>Select trajectory file</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="248"/>
<source>All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="257"/>
<source>Select atom types file</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="259"/>
<source>Atom types files (*.types);;All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="268"/>
<source>Save files as</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="270"/>
<source>Mask of trajectory files</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="279"/>
<location filename="../../mainwindow.cpp" line="322"/>
<location filename="../../mainwindow.cpp" line="365"/>
<location filename="../../mainwindow.cpp" line="408"/>
<location filename="../../mainwindow.cpp" line="462"/>
<source>Save log file as...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="281"/>
<location filename="../../mainwindow.cpp" line="324"/>
<location filename="../../mainwindow.cpp" line="367"/>
<location filename="../../mainwindow.cpp" line="410"/>
<location filename="../../mainwindow.cpp" line="464"/>
<source>Log files (*.log)</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="300"/>
<location filename="../../mainwindow.cpp" line="386"/>
<source>Select trajectory files</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="302"/>
<location filename="../../mainwindow.cpp" line="345"/>
<location filename="../../mainwindow.cpp" line="388"/>
<location filename="../../mainwindow.cpp" line="431"/>
<source>Trajectory files (*.*[0-9])</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="311"/>
<location filename="../../mainwindow.cpp" line="397"/>
<source>Save output file as...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="313"/>
<location filename="../../mainwindow.cpp" line="399"/>
<source>Output files (*.dat)</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="354"/>
<location filename="../../mainwindow.cpp" line="451"/>
<source>Save PDB file as...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="356"/>
<location filename="../../mainwindow.cpp" line="453"/>
<source>PDB files (*.pdb)</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="440"/>
<source>Select agglomerate file</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="442"/>
<source>Agglomerate files (*.agl);;All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="611"/>
<location filename="../../mainwindow.cpp" line="612"/>
<source>Processing &apos;trj&apos;...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="622"/>
<location filename="../../mainwindow.cpp" line="703"/>
<location filename="../../mainwindow.cpp" line="751"/>
<location filename="../../mainwindow.cpp" line="821"/>
<location filename="../../mainwindow.cpp" line="889"/>
<source>Done</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="675"/>
<location filename="../../mainwindow.cpp" line="676"/>
<source>Processing &apos;statgen&apos;...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="741"/>
<location filename="../../mainwindow.cpp" line="742"/>
<source>Processing &apos;envir&apos;...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="807"/>
<location filename="../../mainwindow.cpp" line="808"/>
<source>Processing &apos;radf&apos;...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="864"/>
<location filename="../../mainwindow.cpp" line="865"/>
<source>Processing &apos;agl&apos;...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="869"/>
<location filename="../../mainwindow.cpp" line="870"/>
<source>Processing &apos;trj2pdb&apos;...</source>
<translation type="unfinished"></translation>
</message>
</context>
<context>
<name>SettingsWindow</name>
<message>
<location filename="../../settingswindow.cpp" line="185"/>
<location filename="../../settingswindow.cpp" line="196"/>
<location filename="../../settingswindow.cpp" line="207"/>
<location filename="../../settingswindow.cpp" line="218"/>
<location filename="../../settingswindow.cpp" line="229"/>
<location filename="../../settingswindow.cpp" line="240"/>
<source>Select component</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../settingswindow.cpp" line="187"/>
<location filename="../../settingswindow.cpp" line="198"/>
<location filename="../../settingswindow.cpp" line="209"/>
<location filename="../../settingswindow.cpp" line="220"/>
<location filename="../../settingswindow.cpp" line="231"/>
<location filename="../../settingswindow.cpp" line="242"/>
<source>All files (*)</source>
<translation type="unfinished"></translation>
</message>
</context>
<context>
<name>StatgenGraphWindow</name>
<message>
<location filename="../../statgengraphwindow.cpp" line="54"/>
<source>N</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../statgengraphwindow.cpp" line="55"/>
<source>p</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../statgengraphwindow.cpp" line="72"/>
<source>r</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../statgengraphwindow.cpp" line="73"/>
<source>g</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../statgengraphwindow.cpp" line="147"/>
<source>Save image as...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../statgengraphwindow.cpp" line="149"/>
<source>JPEG file (*.jpeg);;Portable Network Graphics file (*.png);;Bitmap file (*.bmp)</source>
<translation type="unfinished"></translation>
</message>
</context>
</TS>

1
mathmech/resources/translations/rus.qm Normal file
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@ -0,0 +1 @@
<<3C>d<18><EFBFBD>!<1C>`<60><><EFBFBD>

378
mathmech/resources/translations/rus.ts Normal file
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@ -0,0 +1,378 @@
<?xml version="1.0" encoding="utf-8"?>
<!DOCTYPE TS>
<TS version="2.0">
<context>
<name>AgglWindow</name>
<message>
<location filename="../../agglwindow.cpp" line="37"/>
<source>Select file</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../agglwindow.cpp" line="39"/>
<source>&apos;statgen&apos; output files (*.dat);;All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../agglwindow.cpp" line="137"/>
<source>Save file as...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../agglwindow.cpp" line="139"/>
<source>Agglomerate files (*.agl);;All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
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<context>
<name>AglAll</name>
<message>
<location filename="../../aglallwindow.cpp" line="82"/>
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<source>Processing &apos;agl&apos;...</source>
<translation type="unfinished"></translation>
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<message>
<location filename="../../aglallwindow.cpp" line="207"/>
<source>Done</source>
<translation type="unfinished"></translation>
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<context>
<name>AglAllWindow</name>
<message>
<location filename="../../aglallwindow.cpp" line="44"/>
<source>Select work directory</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../aglallwindow.cpp" line="54"/>
<source>Select trajectory file</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../aglallwindow.cpp" line="56"/>
<source>&apos;statgen&apos; output files (*.dat);;All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../aglallwindow.cpp" line="65"/>
<source>Save file as...</source>
<translation type="unfinished"></translation>
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<message>
<location filename="../../aglallwindow.cpp" line="67"/>
<source>PDB files (*.pdb);;All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
</context>
<context>
<name>AtomTypesWindow</name>
<message>
<location filename="../../atomtypeswindow.cpp" line="87"/>
<location filename="../../atomtypeswindow.cpp" line="100"/>
<location filename="../../atomtypeswindow.cpp" line="103"/>
<source>Add new molecule</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../atomtypeswindow.cpp" line="42"/>
<source>Save file as...</source>
<translation type="unfinished"></translation>
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<message>
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<source>Atom types files (*.types);;All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
</context>
<context>
<name>ErrorWindow</name>
<message>
<location filename="../../errorwindow.cpp" line="22"/>
<source>Work directory does not exists</source>
<translation type="unfinished"></translation>
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<message>
<location filename="../../errorwindow.cpp" line="25"/>
<source>Input file is not set</source>
<translation type="unfinished"></translation>
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<message>
<location filename="../../errorwindow.cpp" line="28"/>
<source>Atoms in plane must be different</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="31"/>
<source>Atom types file is not set</source>
<translation type="unfinished"></translation>
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<message>
<location filename="../../errorwindow.cpp" line="34"/>
<source>Output file is not set</source>
<translation type="unfinished"></translation>
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<message>
<location filename="../../errorwindow.cpp" line="37"/>
<source>Atom type must contain 2 characters</source>
<translation type="unfinished"></translation>
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<message>
<location filename="../../errorwindow.cpp" line="40"/>
<source>Log file is not set</source>
<translation type="unfinished"></translation>
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<message>
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<source>Component is not found</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="46"/>
<source>Atom types is not set</source>
<translation type="unfinished"></translation>
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<message>
<location filename="../../errorwindow.cpp" line="49"/>
<source>Something wrong</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="52"/>
<source>Interactions are not set</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="55"/>
<source>Invalid file type</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../errorwindow.cpp" line="58"/>
<source>Interaction step is not set</source>
<translation type="unfinished"></translation>
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<message>
<location filename="../../errorwindow.cpp" line="61"/>
<source>Unknown error</source>
<translation type="unfinished"></translation>
</message>
</context>
<context>
<name>MainWindow</name>
<message>
<location filename="../../mainwindow.cpp" line="26"/>
<source>Ready</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="236"/>
<location filename="../../mainwindow.cpp" line="290"/>
<location filename="../../mainwindow.cpp" line="333"/>
<location filename="../../mainwindow.cpp" line="376"/>
<location filename="../../mainwindow.cpp" line="419"/>
<source>Select work directory</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="246"/>
<location filename="../../mainwindow.cpp" line="343"/>
<location filename="../../mainwindow.cpp" line="429"/>
<source>Select trajectory file</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="248"/>
<source>All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="257"/>
<source>Select atom types file</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="259"/>
<source>Atom types files (*.types);;All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="268"/>
<source>Save files as</source>
<translation type="unfinished"></translation>
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<message>
<location filename="../../mainwindow.cpp" line="270"/>
<source>Mask of trajectory files</source>
<translation type="unfinished"></translation>
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<message>
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<location filename="../../mainwindow.cpp" line="322"/>
<location filename="../../mainwindow.cpp" line="365"/>
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<message>
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<translation type="unfinished"></translation>
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<message>
<location filename="../../mainwindow.cpp" line="300"/>
<location filename="../../mainwindow.cpp" line="386"/>
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<translation type="unfinished"></translation>
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<message>
<location filename="../../mainwindow.cpp" line="302"/>
<location filename="../../mainwindow.cpp" line="345"/>
<location filename="../../mainwindow.cpp" line="388"/>
<location filename="../../mainwindow.cpp" line="431"/>
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<translation type="unfinished"></translation>
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<location filename="../../mainwindow.cpp" line="311"/>
<location filename="../../mainwindow.cpp" line="397"/>
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<translation type="unfinished"></translation>
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<location filename="../../mainwindow.cpp" line="313"/>
<location filename="../../mainwindow.cpp" line="399"/>
<source>Output files (*.dat)</source>
<translation type="unfinished"></translation>
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<location filename="../../mainwindow.cpp" line="354"/>
<location filename="../../mainwindow.cpp" line="451"/>
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<translation type="unfinished"></translation>
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<message>
<location filename="../../mainwindow.cpp" line="356"/>
<location filename="../../mainwindow.cpp" line="453"/>
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<translation type="unfinished"></translation>
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<location filename="../../mainwindow.cpp" line="440"/>
<source>Select agglomerate file</source>
<translation type="unfinished"></translation>
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<location filename="../../mainwindow.cpp" line="442"/>
<source>Agglomerate files (*.agl);;All files (*.*)</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="611"/>
<location filename="../../mainwindow.cpp" line="612"/>
<source>Processing &apos;trj&apos;...</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="622"/>
<location filename="../../mainwindow.cpp" line="703"/>
<location filename="../../mainwindow.cpp" line="751"/>
<location filename="../../mainwindow.cpp" line="821"/>
<location filename="../../mainwindow.cpp" line="889"/>
<source>Done</source>
<translation type="unfinished"></translation>
</message>
<message>
<location filename="../../mainwindow.cpp" line="675"/>
<location filename="../../mainwindow.cpp" line="676"/>
<source>Processing &apos;statgen&apos;...</source>
<translation type="unfinished"></translation>
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<message>
<location filename="../../mainwindow.cpp" line="741"/>
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<source>Processing &apos;envir&apos;...</source>
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</message>
<message>
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</context>
<context>
<name>SettingsWindow</name>
<message>
<location filename="../../settingswindow.cpp" line="185"/>
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<location filename="../../settingswindow.cpp" line="187"/>
<location filename="../../settingswindow.cpp" line="198"/>
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<source>All files (*)</source>
<translation type="unfinished"></translation>
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<name>StatgenGraphWindow</name>
<message>
<location filename="../../statgengraphwindow.cpp" line="54"/>
<source>N</source>
<translation type="unfinished"></translation>
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<message>
<location filename="../../statgengraphwindow.cpp" line="55"/>
<source>p</source>
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<location filename="../../statgengraphwindow.cpp" line="72"/>
<source>r</source>
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<source>g</source>
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<source>Save image as...</source>
<translation type="unfinished"></translation>
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<message>
<location filename="../../statgengraphwindow.cpp" line="149"/>
<source>JPEG file (*.jpeg);;Portable Network Graphics file (*.png);;Bitmap file (*.bmp)</source>
<translation type="unfinished"></translation>
</message>
</context>
</TS>

126
mathmech/start_events.cpp
View File

@ -178,6 +178,132 @@ bool Start_events::start_statgen(QString mm_statgen_path,
return true;
}
bool Start_events::start_statgen_analysis(QString mm_statgen_path,
QString workDir,
QString mask,
QString firstStep,
QString lastStep,
QString cellX, QString cellY, QString cellZ,
QString atom0, QString atom1, QString atom2, QString atom3,
QString inter,
QString output,
QString depth,
QString log,
float int_step)
{
// error check
errorwin = new ErrorWindow(parent);
if ((workDir == "") || (!QDir(workDir).exists()))
{
errorwin->set_message(0);
errorwin->show();
return false;
}
if (mask == "")
{
errorwin->set_message(1);
errorwin->show();
return false;
}
if (inter == "")
{
errorwin->set_message(10);
errorwin->show();
return false;
}
if (output == "")
{
errorwin->set_message(4);
errorwin->show();
return false;
}
if ((log != QString("#")) && (log == ""))
{
errorwin->set_message(6);
errorwin->show();
return false;
}
if (int_step == 0.0)
{
errorwin->set_message(12);
errorwin->show();
return false;
}
if (!QFile(mm_statgen_path).exists())
{
errorwin->set_message(7);
errorwin->show();
return false;
}
delete errorwin;
// parsing criteria
int imax = 10;
QStringList inter_list = inter.split(QString(" -r "), QString::SkipEmptyParts);
float *inter_list_one;
inter_list_one = new float[16*inter_list.count()];
for (i=0; i<16*inter_list.count(); i++)
inter_list_one = -1.0;
float item;
int index;
for (int i=0; i<inter_list.count(); i++)
for (int j=0; j<inter_list[i].split(QString(","), QString::SkipEmptyParts).count(); j++)
{
item = inter_list[i].split(QString(","), QString::SkipEmptyParts)[j].
split(QString(":"), QString::SkipEmptyParts)[1].toFloat();
index = inter_list[i].split(QString(","), QString::SkipEmptyParts)[j].
split(QString(":"), QString::SkipEmptyParts)[0].
split(QString("-"), QString::SkipEmptyParts)[0].toInt() +
inter_list[i].split(QString(","), QString::SkipEmptyParts)[j].
split(QString(":"), QString::SkipEmptyParts)[0].
split(QString("-"), QString::SkipEmptyParts)[1].toInt() * 4;
inter_list_one[16*i+index] = item;
}
for (int i=0; i<16*inter_list.count(); i++)
if (inter_list_one > 0.0)
while (imax*int_step > inter_list_one)
imax--;
// exec
for (int i=-imax; i<=imax; i++)
{
QString command;
command.append(mm_statgen_path);
if (mask.contains(QDir::separator()))
command.append(" -i " + QFileInfo(mask).absoluteFilePath());
else
command.append(" -i " + QFileInfo(QDir(workDir), mask).absoluteFilePath());
command.append(" -s " + firstStep + "," + lastStep);
command.append(" -c " + cellX + "," + cellY + "," + cellZ);
command.append(" -a " + atom0);
if (atom1 != QString("#"))
command.append("," + atom1);
if (atom2 != QString("#"))
command.append("," + atom2);
if (atom3 != QString("#"))
command.append("," + atom3);
command.append(inter);
if (output.contains(QDir::separator()))
command.append(" -o " + QFileInfo(output).absoluteFilePath());
else
command.append(" -o " + QFileInfo(QDir(workDir), output).absoluteFilePath());
if (depth != QString("#"))
command.append(" -g " + depth);
if (log != QString("#"))
{
if (log.contains(QDir::separator()))
command.append(" -l " + QFileInfo(log).absoluteFilePath());
else
command.append(" -l " + QFileInfo(QDir(workDir), log).absoluteFilePath());
}
command.append(" -q");
system(command.toStdString().c_str());
}
delete inter_list_one;
return true;
}
bool Start_events::start_envir(QString mm_envir_path,
QString workDir,
QString input,

12
mathmech/start_events.h
View File

@ -31,6 +31,18 @@ public:
QString output,
QString depth,
QString log);
bool start_statgen_analysis(QString mm_statgen_path,
QString workDir,
QString mask,
QString firstStep,
QString lastStep,
QString cellX, QString cellY, QString cellZ,
QString atom0, QString atom1, QString atom2, QString atom3,
QString inter,
QString output,
QString depth,
QString log,
float int_step);
bool start_envir(QString mm_envir_path,
QString workDir,
QString input,