diff --git a/mathmech/CMakeLists.txt b/mathmech/CMakeLists.txt index 4db8f88..ec40a43 100644 --- a/mathmech/CMakeLists.txt +++ b/mathmech/CMakeLists.txt @@ -1,3 +1,10 @@ +set ("PROJECT_VERSION_MAJOR" 1) +set ("PROJECT_VERSION_MINOR" 0) +set ("PROJECT_VERSION_PATCH" 2) +set ("PROJECT_VERSION" ${PROJECT_VERSION_MAJOR}.${PROJECT_VERSION_MINOR}.${PROJECT_VERSION_PATCH}) + +message (STATUS "Version ${PROJECT_VERSION}") + set (COMPS mathmech mm_agl mm_envir diff --git a/mathmech/PKGBUILD b/mathmech/PKGBUILD index d9db907..886617a 100644 --- a/mathmech/PKGBUILD +++ b/mathmech/PKGBUILD @@ -2,7 +2,7 @@ # Maintainer: Evgeniy "arcanis" Alexeev pkgname=mathmech -pkgver=1.0.1 +pkgver=1.0.2 pkgrel=1 pkgdesc="Software package for analysis of molecular dynamics trajectories" arch=(any) @@ -10,8 +10,8 @@ url="https://github.com/arcan1s/moldyn/mathmech" license=('GPL') depends=('qt4' 'qwt') makedepends=('unzip' 'cmake' 'automoc4') -source=(https://github.com/arcan1s/moldyn/releases/download/mm-1.0.1/${pkgname}-${pkgver}.zip) -md5sums=('393d4ec5beb06a1ed1c62df67446ee3c') +source=(https://github.com/arcan1s/moldyn/releases/download/mm-1.0.2/${pkgname}-${pkgver}-src.zip) +md5sums=('7c80789a74255108581583830258fe1c') _cmakekeys="-DCMAKE_INSTALL_PREFIX=/usr -DQWT_INCLUDE_PATH=/usr/include/qwt -DMM_PREFIX=mm_ @@ -21,7 +21,7 @@ build () { unzip -o -q ${srcdir}/${pkgname}-${pkgver}.zip -d ${srcdir}/${pkgname} if [ -d ${srcdir}/${pkgname}/build ]; then - rm -rf build + rm -rf ${srcdir}/${pkgname}/build fi mkdir ${srcdir}/${pkgname}/build && cd ${srcdir}/${pkgname}/build cmake ${_cmakekeys} ../ diff --git a/mathmech/mathmech-1.0.1.zip b/mathmech/mathmech-1.0.1.zip deleted file mode 100644 index 813a463..0000000 Binary files a/mathmech/mathmech-1.0.1.zip and /dev/null differ diff --git a/mathmech/mathmech-1.0.2-src.zip b/mathmech/mathmech-1.0.2-src.zip new file mode 100644 index 0000000..579d518 Binary files /dev/null and b/mathmech/mathmech-1.0.2-src.zip differ diff --git a/mathmech/mathmech-1.0.2-win32.zip b/mathmech/mathmech-1.0.2-win32.zip new file mode 100755 index 0000000..7d7a010 Binary files /dev/null and b/mathmech/mathmech-1.0.2-win32.zip differ diff --git a/mathmech/mathmech/README b/mathmech/mathmech/README index b619715..9de3ce9 100644 --- a/mathmech/mathmech/README +++ b/mathmech/mathmech/README @@ -1 +1,3 @@ Mathematical Molecular Mechanics is GUI for "mm" program pack +Version: 1.0.2 +License: GPL diff --git a/mathmech/mathmech/resources/translations/eng.ts b/mathmech/mathmech/resources/translations/eng.ts index e44e3ae..75fe131 100644 --- a/mathmech/mathmech/resources/translations/eng.ts +++ b/mathmech/mathmech/resources/translations/eng.ts @@ -38,7 +38,12 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Graphical user interface for &quot;mathmech&quot; program pack.</p></body></html> - + + Close window + Close window + + + Close Close @@ -67,6 +72,7 @@ p, li { white-space: pre-wrap; } + Agglomerate Agglomerate @@ -76,33 +82,73 @@ p, li { white-space: pre-wrap; } Input file - + + Path to input file + Path to input file + + + Browse Browse - + + Read selected file + Read selected file + + + Select Select - + + File name + File name + + + + List of agglomerates + List of agglomerates + + + Output file Output file - + + Path to output file + Path to output file + + + + Clear window + Clear window + + + Clear Clear - + + Create file + Create file + + + Create Create - + + Close window + Close window + + + Close Close @@ -159,44 +205,80 @@ p, li { white-space: pre-wrap; } Work directory - - - + + Path to work directory + Path to work directory + + + + + Browse Browse - + Input file Input file - + + Path to input file + Path to input file + + + + Mask of output files Mask of output files - + File File - + + Number of file. '0' is all files + Number of file. '0' is all files + + + Number of molecules Number of molecules - + + Number of molecules in agglomerates. '0' is all agglomerates + Number of molecules in agglomerates. '0' is all agglomerates + + + + Clear window + Clear window + + + Clear Clear - + + Start analysis + Start analysis + + + Start Start - + + Close window + Close window + + + Close Close @@ -217,7 +299,7 @@ p, li { white-space: pre-wrap; } - + Add new molecule Add new molecule @@ -232,57 +314,112 @@ p, li { white-space: pre-wrap; } Output file - + + Path to output file + Path to output file + + + Browse Browse - + Molecule Molecule - + 1 1 - + + Number of molecule + Number of molecule + + + Number of molecules Number of molecules - + + Number of selected molecules + Number of selected molecules + + + Char atom type Char atom type - + + Character atop type + Character atop type + + + Int atom type Int atom type - + + Numerical atom type + Numerical atom type + + + + Add atom + Add atom + + + Add Add - + + Added atoms + Added atoms + + + + Remove selected atom + Remove selected atom + + + Remove Remove - + + Clear window + Clear window + + + Clear Clear - + + Create file + Create file + + + Create Create - + + Close window + Close window + + + Close Close @@ -598,349 +735,600 @@ p, li { white-space: pre-wrap; } - - - - + + + + Work directory Work directory - - - - - - - - - + + + + + + Path to work directory + Path to work directory + + + + + + + - - - - - - - - - - - - + + + + + + + + + + + + + + + + Browse Browse - - - + + + Input file Input file - + + + + Path to input file + Path to input file + + + Type of trajectory Type of trajectory - + GROMACS text GROMACS text - + PUMA PUMA - + + Input trajectory type + Input trajectory type + + + Number of steps Number of steps - + + Number of steps in trajectory + Number of steps in trajectory + + + Atom type file Atom type file - + + Path to file with atom types + Path to file with atom types + + + + Mask of output files Mask of output files - + Total atom types Total atom types - - - - - + + Maximum number of atom types + Maximum number of atom types + + + + + + + Log Log - - - - - + + + + + + Path to log file + Path to log file + + + + + + + + Clear window + Clear window + + + + + + + Clear Clear - - - - - + + + + + + Start application + Start application + + + + + + + Start Start - + Generate trajectory Generate trajectory - - + + + + Mask of input files Mask of input files - - + + Steps Steps - - + + first first - - + + + First trajectory step + First trajectory step + + + + last last - - - - + + + Last trajectory step + Last trajectory step + + + + + + Cell, A Cell, A - - - - + + + + X X - - - - + + + + + Cell size, X + Cell size, X + + + + + + Y Y - - - - + + + + + Cell size, Y + Cell size, Y + + + + + + Z Z - + + + + + Cell size, Z + Cell size, Z + + + atom 0 atom 0 - - - + + atom0 type + atom0 type + + + + + atom 1 atom 1 - - - + + + + atom1 type + atom1 type + + + + + atom 2 atom 2 - - - + + + + atom2 type + atom2 type + + + + + atom 3 atom 3 - + + + + atom3 type + atom3 type + + + Interaction Interaction - + 0-0 0-0 - + + Type of interaction + Type of interaction + + + + Criterion + Criterion + + + + Save this criterion + Save this criterion + + + Save Save - + + Add this interaction + Add this interaction + + + Add Add - + + Added interactions + Added interactions + + + + Remove selected interaction + Remove selected interaction + + + Remove Remove - - - + + + Output file Output file - + Path to ouput file + Path to ouput file + + + Depth of search Depth of search - + + Search depth of related graphs + Search depth of related graphs + + + Analysis Analysis - - + + Step of analysis + Step of analysis + + + + Number of steps of analysis + Number of steps of analysis + + + + + Show graph + Show graph + + + + Graph Graph - + Agglomeration Agglomeration - + + + + + Path to output file + Path to output file + + + Molecule Molecule - + + Number of selected molecule + Number of selected molecule + + + Radius Radius - + + Radius of environment + Radius of environment + + + Environment Environment - + One atom function One atom function - + Three atom function Three atom function - + + Type of function + Type of function + + + R, A R, A - - + + min min - - + + Minimal radius + Minimal radius + + + + max max - - + + Maximal radius + Maximal radius + + + + step step - + + Radius step + Radius step + + + Angle, deg Angle, deg - + + Minimal angle + Minimal angle + + + + Maximal angle + Maximal angle + + + + Angle step + Angle step + + + + Matrix output + Matrix output + + + Matrix Matrix - + RADF RADF - + From agglomerate - + From trajectory snapshot From trajectory snapshot - + + Input file type + Input file type + + + File with agglomerate File with agglomerate - + + Path to file with agglomerate + Path to file with agglomerate + + + Generate PDB Generate PDB - + Menu Menu - + File &creator File &creator - + &Tools &Tools - + Help Help @@ -978,62 +1366,87 @@ p, li { white-space: pre-wrap; } mm_trj - - - + + + + + + Path to component + Path to component + + + - + + + + Browse Browse - + mm_statgen mm_statgen - + mm_envir mm_envir - + mm_radf mm_radf - + mm_trj2pdb mm_trj2pdb - + mm_agl mm_agl - + English English - + Russian Russian - + + Application language + Application language + + + You need to restart application You need to restart application - + + Save settings + Save settings + + + Save Save - + + Close window + Close window + + + Close Close @@ -1076,12 +1489,22 @@ p, li { white-space: pre-wrap; } Graph - + + Save graph + Save graph + + + Save Save - + + Close window + Close window + + + Close Close diff --git a/mathmech/mathmech/resources/translations/rus.ts b/mathmech/mathmech/resources/translations/rus.ts index 6c47959..4b0a043 100644 --- a/mathmech/mathmech/resources/translations/rus.ts +++ b/mathmech/mathmech/resources/translations/rus.ts @@ -38,7 +38,12 @@ p, li { white-space: pre-wrap; } <p align="justify" style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;">Графический интерфейс для программного пакета &quot;mathmech&quot;.</p></body></html> - + + Close window + Закрыть окно + + + Close Закрыть @@ -67,6 +72,7 @@ p, li { white-space: pre-wrap; } + Agglomerate Агломерат @@ -76,33 +82,73 @@ p, li { white-space: pre-wrap; } Входной файл - + + Path to input file + Путь ко входному файлу + + + Browse Обзор - + + Read selected file + Прочитать выбранный файл + + + Select Выбор - + + File name + Имя файла + + + + List of agglomerates + Список агломератов + + + Output file Выходной файл - + + Path to output file + Путь к выходному файлу + + + + Clear window + Очистить окно + + + Clear Очистить - + + Create file + Создать файл + + + Create Создать - + + Close window + Закрыть окно + + + Close Закрыть @@ -159,44 +205,80 @@ p, li { white-space: pre-wrap; } Рабочая директория - - - + + Path to work directory + Путь к рабочей директории + + + + + Browse Обзор - + Input file Входной файл - + + Path to input file + Путь ко входному файлу + + + + Mask of output files Маска выходных файлов - + File Файл - + + Number of file. '0' is all files + Номер файла. '0' - все файлы + + + Number of molecules Число молекул - + + Number of molecules in agglomerates. '0' is all agglomerates + Число молекул в агломерате. '0' - все агломераты + + + + Clear window + Очистить окно + + + Clear Очистить - + + Start analysis + Старт анализ + + + Start Старт - + + Close window + Закрыть окно + + + Close Закрыть @@ -214,17 +296,22 @@ p, li { white-space: pre-wrap; } Выходной файл - + + Path to output file + Путь к выходному файлу + + + Browse Обзор - + Molecule Молекула - + 1 1 @@ -232,47 +319,97 @@ p, li { white-space: pre-wrap; } - + Add new molecule Добавить новую молекулу - + + Number of molecule + Номер молекулы + + + Number of molecules Число молекул - + + Number of selected molecules + Число выбранных молекул + + + Char atom type Символьный тип - + + Character atop type + Символьный тип атома + + + Int atom type Численный тип - + + Numerical atom type + Численный тип атома + + + + Add atom + Добавить атом + + + Add Добавить - + + Added atoms + Добавленные атомы + + + + Remove selected atom + Удалить выбранный атом + + + Remove Удалить - + + Clear window + Очистить окно + + + Clear Очистить - + + Create file + Создать файл + + + Create Создать - + + Close window + Закрыть окно + + + Close Закрыть @@ -540,122 +677,125 @@ p, li { white-space: pre-wrap; } Mathematical Molecular Mechanics - + Generate trajectory Создать траекторию - - - - + + + + Work directory Рабочая директория - - - - - - - - - + + + + + - - - - - - - - - - - - + + + + + + + + + + + + + + + + Browse Обзор - - - + + + Input file Входной файл - + Type of trajectory Тип траектории - + GROMACS text GROMACS - + PUMA PUMA - + Number of steps Число шагов - + Atom type file Файл типов атомов - + + Mask of output files Маска файлов - + Total atom types Всего типов атомов - - - - - + + + + + Log Лог - - - - - + + + + + Clear Очистить - - - - - + + + + + Start Старт - + Agglomeration Агломерация - - + + + + Mask of input files Маска файлов @@ -664,231 +804,479 @@ p, li { white-space: pre-wrap; } Ctrl+P Ctrl+P + + + + + + + Path to work directory + Путь к рабочей директории + + + + + + Path to input file + Путь ко входному файлу + + + + Input trajectory type + Тип входной траектории + + + + Number of steps in trajectory + Число шагов в траектории + - + Path to file with atom types + Путь к файлу с типами атомов + + + + Maximum number of atom types + Максимальное число типов атомов + + + + + + + + Path to log file + Путь к логу + + + + + + + + Clear window + Очистить окно + + + + + + + + Start application + Запустить приложение + + + + Steps Шаги - - + + first первый - - + + + First trajectory step + Первый шаг траектории + + + + last последний - - - - + + + Last trajectory step + Последний шаг траектории + + + + + + Cell, A Ячейка, А - - - - + + + + X X - - - - + + + + + Cell size, X + Размер ячейки, X + + + + + + Y Y - - - - + + + + + Cell size, Y + Размер ячейки, Y + + + + + + Z Z - + + + + + Cell size, Z + Размер ячейки, Z + + + atom 0 атом 0 - - - + + atom0 type + тип 1го атома + + + + + atom 1 атом 1 - - - + + + + atom1 type + тип 2го атома + + + + + atom 2 атом 2 - - - + + + + atom2 type + тип 3го атома + + + + + atom 3 атом 3 - + + + + atom3 type + тип 4го атома + + + Interaction Взаимодействие - + 0-0 0-0 - + + Type of interaction + Тип взаимодействия + + + + Criterion + Критерий + + + + Save this criterion + Сохранить данный критерий + + + Save Сохранить - + + Add this interaction + Добавить данное взаимодействие + + + Add Добавить - + + Added interactions + Добавленные взаимодействия + + + + Remove selected interaction + Удалить выбранное взаимодействие + + + Remove Удалить - - - + + + Output file Выходной файл - + Path to ouput file + Путь к выходному файлу + + + Depth of search Глубина поиска - + + Search depth of related graphs + Глубина поиска родственных графов + + + Analysis Анализ - - + + Step of analysis + Шаг анализа + + + + Number of steps of analysis + Число шагов в анализе + + + + + Show graph + Показать график + + + + Graph График - + + + + + Path to output file + Путь к выходному файлу + + + + Number of selected molecule + Номер выбранной молекулы + + + + Radius of environment + Радиус окружения + + + Environment Окружение - + Molecule Молекула - + Radius Радиус - + RADF ФРУР - + One atom function Одноатомная функция - + Three atom function Трехатомная функция - + + Type of function + Тип функции + + + R, A R, A - - + + min min - - + + Minimal radius + Минимальный радиус + + + + max max - - + + Maximal radius + Максимальный радиус + + + + step шаг - + + Radius step + Шаг + + + Angle, deg Угол, град - + + Minimal angle + Минимальный угол + + + + Maximal angle + Максимальный угол + + + + Angle step + Шаг + + + + Matrix output + Результат в виде матрицы + + + Matrix Матрица - + + Input file type + Тип входного файла + + + + Path to file with agglomerate + Путь к файлу с агломератом + + + Generate PDB Создать PDB - + From agglomerate Из агломерата - + From trajectory snapshot Из снимка траектории - + File with agglomerate Файл с агломератом - + Menu Меню - + File &creator &Создание файлов - + &Tools &Утилиты - + Help Помощь @@ -978,62 +1366,87 @@ p, li { white-space: pre-wrap; } mm_trj - - - + + + + + + Path to component + Путь к компоненту + + + - + + + + Browse Обзор - + mm_statgen mm_statgen - + mm_envir mm_envir - + mm_radf mm_radf - + mm_trj2pdb mm_trj2pdb - + mm_agl mm_agl - + English English - + Russian Russian - + + Application language + Язык приложения + + + You need to restart application You need to restart application - + + Save settings + Сохранить настройки + + + Save Сохранить - + + Close window + Закрыть окно + + + Close Закрыть @@ -1076,12 +1489,22 @@ p, li { white-space: pre-wrap; } График - + + Save graph + Сохранить график + + + Save Сохранить - + + Close window + Закрыть окно + + + Close Закрыть diff --git a/mathmech/mathmech/src/CMakeLists.txt b/mathmech/mathmech/src/CMakeLists.txt index 7c4c898..c07b2a0 100644 --- a/mathmech/mathmech/src/CMakeLists.txt +++ b/mathmech/mathmech/src/CMakeLists.txt @@ -1,10 +1,3 @@ -set (PROJECT_VERSION_MAJOR 1) -set (PROJECT_VERSION_MINOR 0) -set (PROJECT_VERSION_PATCH 0) -set (PROJECT_VERSION ${PROJECT_VERSION_MAJOR}.${PROJECT_VERSION_MINOR}.${PROJECT_VERSION_PATCH}) - -message (STATUS "${PROJECT}: Version ${PROJECT_VERSION}") - # set files file (GLOB SOURCES *.cpp) file (GLOB HEADERS *.h) diff --git a/mathmech/mathmech/src/aboutwindow.ui b/mathmech/mathmech/src/aboutwindow.ui index 7765dc6..9b59d19 100644 --- a/mathmech/mathmech/src/aboutwindow.ui +++ b/mathmech/mathmech/src/aboutwindow.ui @@ -57,6 +57,9 @@ p, li { white-space: pre-wrap; } 23 + + Close window + Close diff --git a/mathmech/mathmech/src/agglwindow.ui b/mathmech/mathmech/src/agglwindow.ui index d63a4e0..ee5a5e5 100644 --- a/mathmech/mathmech/src/agglwindow.ui +++ b/mathmech/mathmech/src/agglwindow.ui @@ -44,6 +44,9 @@ 16777215 + + Path to input file + @@ -87,6 +90,9 @@ 23 + + Read selected file + Select @@ -98,17 +104,28 @@ - + + + File name + + + + List of agglomerates + QAbstractItemView::NoEditTriggers - + + + Agglomerate + + @@ -139,6 +156,9 @@ 16777215 + + Path to output file + @@ -169,6 +189,9 @@ 23 + + Clear window + Clear @@ -204,6 +227,9 @@ 16777215 + + Create file + Create @@ -220,6 +246,9 @@ 23 + + Close window + Close diff --git a/mathmech/mathmech/src/aglallwindow.ui b/mathmech/mathmech/src/aglallwindow.ui index 2d074b3..236a44b 100644 --- a/mathmech/mathmech/src/aglallwindow.ui +++ b/mathmech/mathmech/src/aglallwindow.ui @@ -38,6 +38,9 @@ 23 + + Path to work directory + @@ -81,6 +84,9 @@ 23 + + Path to input file + @@ -124,6 +130,9 @@ 23 + + Mask of output files + @@ -167,6 +176,9 @@ 23 + + Number of file. '0' is all files + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -209,6 +221,9 @@ 23 + + Number of molecules in agglomerates. '0' is all agglomerates + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -252,6 +267,9 @@ 23 + + Clear window + Clear @@ -287,6 +305,9 @@ 16777215 + + Start analysis + Start @@ -303,6 +324,9 @@ 23 + + Close window + Close diff --git a/mathmech/mathmech/src/atomtypeswindow.ui b/mathmech/mathmech/src/atomtypeswindow.ui index d811c04..e9e1a64 100644 --- a/mathmech/mathmech/src/atomtypeswindow.ui +++ b/mathmech/mathmech/src/atomtypeswindow.ui @@ -44,6 +44,9 @@ 16777215 + + Path to output file + @@ -93,6 +96,9 @@ 23 + + Number of molecule + 1 @@ -126,6 +132,9 @@ 23 + + Number of selected molecules + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -162,6 +171,9 @@ 23 + + Character atop type + @@ -185,6 +197,9 @@ 23 + + Numerical atom type + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -201,6 +216,9 @@ 23 + + Add atom + Add @@ -213,6 +231,9 @@ + + Added atoms + QAbstractItemView::NoEditTriggers @@ -241,6 +262,9 @@ 23 + + Remove selected atom + Remove @@ -261,6 +285,9 @@ 23 + + Clear window + Clear @@ -296,6 +323,9 @@ 16777215 + + Create file + Create @@ -312,6 +342,9 @@ 23 + + Close window + Close diff --git a/mathmech/mathmech/src/mainwindow.ui b/mathmech/mathmech/src/mainwindow.ui index c824175..e2ce8c1 100644 --- a/mathmech/mathmech/src/mainwindow.ui +++ b/mathmech/mathmech/src/mainwindow.ui @@ -48,6 +48,9 @@ 23 + + Path to work directory + @@ -91,6 +94,9 @@ 23 + + Path to input file + @@ -134,6 +140,9 @@ 23 + + Input trajectory type + GROMACS text @@ -180,6 +189,9 @@ 23 + + Number of steps in trajectory + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -229,6 +241,9 @@ 23 + + Path to file with atom types + @@ -272,6 +287,9 @@ 23 + + Mask of output files + @@ -315,6 +333,9 @@ 23 + + Maximum number of atom types + Qt::LeftToRight @@ -353,6 +374,9 @@ 23 + + Path to log file + @@ -396,6 +420,9 @@ 23 + + Clear window + Clear @@ -431,6 +458,9 @@ 16777215 + + Start application + Start @@ -471,6 +501,9 @@ 23 + + Path to work directory + @@ -514,6 +547,9 @@ 23 + + Mask of input files + @@ -570,6 +606,9 @@ 23 + + First trajectory step + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -615,6 +654,9 @@ 23 + + Last trajectory step + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -683,6 +725,9 @@ 23 + + Cell size, X + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -724,6 +769,9 @@ 23 + + Cell size, Y + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -765,6 +813,9 @@ 23 + + Cell size, Z + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -816,6 +867,9 @@ 23 + + atom0 type + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -851,6 +905,9 @@ 23 + + atom1 type + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -889,6 +946,9 @@ 23 + + atom2 type + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -927,6 +987,9 @@ 23 + + atom3 type + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -963,6 +1026,9 @@ 23 + + Type of interaction + 0-0 @@ -984,6 +1050,9 @@ 23 + + Criterion + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -1006,6 +1075,9 @@ 23 + + Save this criterion + Save @@ -1022,6 +1094,9 @@ 23 + + Add this interaction + Add @@ -1040,6 +1115,9 @@ 85 + + Added interactions + QAbstractItemView::NoEditTriggers @@ -1068,6 +1146,9 @@ 23 + + Remove selected interaction + Remove @@ -1101,6 +1182,9 @@ 23 + + Path to output file + @@ -1147,6 +1231,9 @@ 23 + + Search depth of related graphs + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -1185,6 +1272,9 @@ 23 + + Path to log file + @@ -1231,6 +1321,9 @@ 23 + + Step of analysis + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -1256,6 +1349,9 @@ 23 + + Number of steps of analysis + 1 @@ -1285,6 +1381,9 @@ 23 + + Show graph + Graph @@ -1318,6 +1417,9 @@ 23 + + Clear window + Clear @@ -1353,6 +1455,9 @@ 16777215 + + Start application + Start @@ -1393,6 +1498,9 @@ 23 + + Path to work directory + @@ -1436,6 +1544,9 @@ 23 + + Path to input file + @@ -1498,6 +1609,9 @@ 23 + + Cell size, X + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -1539,6 +1653,9 @@ 23 + + Cell size, Y + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -1580,6 +1697,9 @@ 23 + + Cell size, Z + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -1619,6 +1739,9 @@ 23 + + Path to output file + @@ -1662,6 +1785,9 @@ 23 + + Number of selected molecule + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -1707,6 +1833,9 @@ 23 + + Radius of environment + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -1756,6 +1885,9 @@ 23 + + Path to log file + @@ -1799,6 +1931,9 @@ 23 + + Clear window + Clear @@ -1834,6 +1969,9 @@ 16777215 + + Start application + Start @@ -1874,6 +2012,9 @@ 23 + + Path to work directory + @@ -1917,6 +2058,9 @@ 23 + + Mask of input files + @@ -1973,6 +2117,9 @@ 23 + + First trajectory step + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -2018,6 +2165,9 @@ 23 + + Last trajectory step + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -2086,6 +2236,9 @@ 23 + + Cell size, X + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -2127,6 +2280,9 @@ 23 + + Cell size, Y + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -2168,6 +2324,9 @@ 23 + + Cell size, Z + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -2207,6 +2366,9 @@ 23 + + Path to output file + @@ -2237,6 +2399,9 @@ 23 + + Type of function + One atom function @@ -2282,6 +2447,9 @@ 23 + + atom1 type + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -2301,6 +2469,9 @@ 23 + + atom2 type + atom 2 @@ -2342,6 +2513,9 @@ 23 + + atom3 type + atom 3 @@ -2403,6 +2577,9 @@ 23 + + atom1 type + atom 1 @@ -2441,6 +2618,9 @@ 23 + + atom2 type + atom 2 @@ -2482,6 +2662,9 @@ 23 + + atom3 type + atom 3 @@ -2553,6 +2736,9 @@ 23 + + Minimal radius + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -2597,6 +2783,9 @@ 23 + + Maximal radius + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -2641,6 +2830,9 @@ 23 + + Radius step + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -2708,6 +2900,9 @@ 23 + + Minimal angle + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -2758,6 +2953,9 @@ 23 + + Maximal angle + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -2808,6 +3006,9 @@ 23 + + Angle step + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -2840,6 +3041,9 @@ 23 + + Matrix output + Matrix @@ -2869,6 +3073,9 @@ 23 + + Path to log file + @@ -2912,6 +3119,9 @@ 23 + + Clear window + Clear @@ -2941,6 +3151,9 @@ 23 + + Show graph + Graph @@ -2963,6 +3176,9 @@ 16777215 + + Start application + Start @@ -2982,6 +3198,9 @@ + + Input file type + From agglomerate @@ -3017,6 +3236,9 @@ 23 + + Path to work directory + @@ -3060,6 +3282,9 @@ 23 + + Path to input file + @@ -3103,6 +3328,9 @@ 23 + + Path to file with agglomerate + @@ -3165,6 +3393,9 @@ 23 + + Cell size, X + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -3206,6 +3437,9 @@ 23 + + Cell size, Y + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -3247,6 +3481,9 @@ 23 + + Cell size, Z + Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter @@ -3286,6 +3523,9 @@ 23 + + Path to output file + @@ -3332,6 +3572,9 @@ 23 + + Path to log file + @@ -3375,6 +3618,9 @@ 23 + + Clear window + Clear @@ -3410,6 +3656,9 @@ 16777215 + + Start application + Start diff --git a/mathmech/mathmech/src/mathmech.pro.user b/mathmech/mathmech/src/mathmech.pro.user index de41466..c91676d 100644 --- a/mathmech/mathmech/src/mathmech.pro.user +++ b/mathmech/mathmech/src/mathmech.pro.user @@ -1,6 +1,6 @@ - + ProjectExplorer.Project.ActiveTarget diff --git a/mathmech/mathmech/src/settingswindow.ui b/mathmech/mathmech/src/settingswindow.ui index 1e5dec5..bea7876 100644 --- a/mathmech/mathmech/src/settingswindow.ui +++ b/mathmech/mathmech/src/settingswindow.ui @@ -31,7 +31,11 @@ - + + + Path to component + + @@ -67,7 +71,11 @@ - + + + Path to component + + @@ -103,7 +111,11 @@ - + + + Path to component + + @@ -139,7 +151,11 @@ - + + + Path to component + + @@ -175,7 +191,11 @@ - + + + Path to component + + @@ -211,7 +231,11 @@ - + + + Path to component + + @@ -254,6 +278,9 @@ 0 + + Application language + English @@ -336,6 +363,9 @@ 23 + + Save settings + Save @@ -352,6 +382,9 @@ 23 + + Close window + Close diff --git a/mathmech/mathmech/src/start_events.cpp b/mathmech/mathmech/src/start_events.cpp index 2d4af11..f1a5333 100644 --- a/mathmech/mathmech/src/start_events.cpp +++ b/mathmech/mathmech/src/start_events.cpp @@ -263,7 +263,7 @@ bool Start_events::start_statgen_analysis(QString mm_statgen_path, for (int i=0; i<16*inter_list.count(); i++) if (inter_list_one[i] != 0.0) inter_list_index.append(i); - int files = pow(2*imax+1, inter_list_index.count()); + int files = pow((float)2*imax+1, inter_list_index.count()); // exec char file[32]; diff --git a/mathmech/mathmech/src/statgengraphwindow.ui b/mathmech/mathmech/src/statgengraphwindow.ui index a88ba57..52407c2 100644 --- a/mathmech/mathmech/src/statgengraphwindow.ui +++ b/mathmech/mathmech/src/statgengraphwindow.ui @@ -38,6 +38,9 @@ 23 + + Save graph + Save @@ -54,6 +57,9 @@ 23 + + Close window + Close diff --git a/mathmech/mm_agl/CMakeLists.txt b/mathmech/mm_agl/CMakeLists.txt index 141c6bb..ec5c278 100644 --- a/mathmech/mm_agl/CMakeLists.txt +++ b/mathmech/mm_agl/CMakeLists.txt @@ -29,4 +29,4 @@ set (LIBRARIES) set (TARGETS "") set (HEADERS "") -add_subdirectory (${${PROJECT}_SOURCE_DIR}) \ No newline at end of file +add_subdirectory (${PROJECT_SOURCE_DIR}) \ No newline at end of file diff --git a/mathmech/mm_agl/README b/mathmech/mm_agl/README index 37f289b..4fe0ca4 100644 --- a/mathmech/mm_agl/README +++ b/mathmech/mm_agl/README @@ -1,5 +1,5 @@ mm_agl - program that creates PDB file with chosen agglomerate -Version: 1.0.1 +Version: 1.0.2 License: GPL Usage: diff --git a/mathmech/mm_agl/mm_agl.cmake b/mathmech/mm_agl/mm_agl.cmake index 2b4603e..2c0f3e2 100644 --- a/mathmech/mm_agl/mm_agl.cmake +++ b/mathmech/mm_agl/mm_agl.cmake @@ -1,16 +1,16 @@ # set directories -set (${PROJECT}_BINARY_DIR bin) -set (${PROJECT}_SOURCE_DIR src) -set (${PROJECT}_INCLUDE_DIR include) -set (${PROJECT}_LIB_DIR lib) +set (PROJECT_BINARY_DIR bin) +set (PROJECT_SOURCE_DIR src) +set (PROJECT_INCLUDE_DIR include) +set (PROJECT_LIB_DIR lib) # include_path -include_directories (${${PROJECT}_INCLUDE_DIR}/${PROJECT} - ${${PROJECT}_SOURCE_DIR}) +include_directories (${PROJECT_INCLUDE_DIR}/${PROJECT} + ${PROJECT_SOURCE_DIR}) # library path -link_directories (${${PROJECT}_LIB_DIR}) +link_directories (${PROJECT_LIB_DIR}) # executable path -set (EXECUTABLE_OUTPUT_PATH ${${PROJECT}_BINARY_DIR}) +set (EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}) # verbose set (CMAKE_VERBOSE_MAKEFILE ON) diff --git a/mathmech/mm_agl/mm_agl.doxygen b/mathmech/mm_agl/mm_agl.doxygen index ba4d5e6..c8d1f30 100644 --- a/mathmech/mm_agl/mm_agl.doxygen +++ b/mathmech/mm_agl/mm_agl.doxygen @@ -32,7 +32,7 @@ PROJECT_NAME = mm_agl # This could be handy for archiving the generated documentation or # if some version control system is used. -PROJECT_NUMBER = V.1.0.1 +PROJECT_NUMBER = V.1.0.2 # Using the PROJECT_BRIEF tag one can provide an optional one line description # for a project that appears at the top of each page and should give viewer diff --git a/mathmech/mm_agl/mm_agl.pdf b/mathmech/mm_agl/mm_agl.pdf index 9ff83df..ab9c897 100644 Binary files a/mathmech/mm_agl/mm_agl.pdf and b/mathmech/mm_agl/mm_agl.pdf differ diff --git a/mathmech/mm_agl/src/CMakeLists.txt b/mathmech/mm_agl/src/CMakeLists.txt index e3486ad..76803b8 100644 --- a/mathmech/mm_agl/src/CMakeLists.txt +++ b/mathmech/mm_agl/src/CMakeLists.txt @@ -1,10 +1,3 @@ -set ("${PROJECT}_VERSION_MAJOR" 1) -set ("${PROJECT}_VERSION_MINOR" 0) -set ("${PROJECT}_VERSION_PATCH" 1) -set ("${PROJECT}_VERSION" ${${PROJECT}_VERSION_MAJOR}.${${PROJECT}_VERSION_MINOR}.${${PROJECT}_VERSION_PATCH}) - -message (STATUS "${PROJECT}: Version ${${PROJECT}_VERSION}") - # set files aux_source_directory (. SOURCES) diff --git a/mathmech/mm_agl/src/main.c b/mathmech/mm_agl/src/main.c index cdeab48..1a3858f 100644 --- a/mathmech/mm_agl/src/main.c +++ b/mathmech/mm_agl/src/main.c @@ -61,7 +61,7 @@ * You may also download compiled executable file for Win_x86. * * @page Changelog - * V.1.0.1 (2013-07-27) + * V.1.0.2 (2013-07-27) * * initial release */ @@ -128,7 +128,7 @@ 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 : 1.0.1 License : GPL\n", tmp_str); + sprintf (tmp_str, "%sVersion : 1.0.2 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/mm_envir/CMakeLists.txt b/mathmech/mm_envir/CMakeLists.txt index 80477b1..54de975 100644 --- a/mathmech/mm_envir/CMakeLists.txt +++ b/mathmech/mm_envir/CMakeLists.txt @@ -29,4 +29,4 @@ set (LIBRARIES) set (TARGETS "") set (HEADERS "") -add_subdirectory (${${PROJECT}_SOURCE_DIR}) \ No newline at end of file +add_subdirectory (${PROJECT_SOURCE_DIR}) \ No newline at end of file diff --git a/mathmech/mm_envir/README b/mathmech/mm_envir/README index 684edf4..0bc2d2d 100644 --- a/mathmech/mm_envir/README +++ b/mathmech/mm_envir/README @@ -1,5 +1,5 @@ mm_envir - program that searchs environment for chosen molecule by geometric criterion -Version: 1.0.1 +Version: 1.0.2 License: GPL Usage: diff --git a/mathmech/mm_envir/mm_envir.cmake b/mathmech/mm_envir/mm_envir.cmake index 2b4603e..2c0f3e2 100644 --- a/mathmech/mm_envir/mm_envir.cmake +++ b/mathmech/mm_envir/mm_envir.cmake @@ -1,16 +1,16 @@ # set directories -set (${PROJECT}_BINARY_DIR bin) -set (${PROJECT}_SOURCE_DIR src) -set (${PROJECT}_INCLUDE_DIR include) -set (${PROJECT}_LIB_DIR lib) +set (PROJECT_BINARY_DIR bin) +set (PROJECT_SOURCE_DIR src) +set (PROJECT_INCLUDE_DIR include) +set (PROJECT_LIB_DIR lib) # include_path -include_directories (${${PROJECT}_INCLUDE_DIR}/${PROJECT} - ${${PROJECT}_SOURCE_DIR}) +include_directories (${PROJECT_INCLUDE_DIR}/${PROJECT} + ${PROJECT_SOURCE_DIR}) # library path -link_directories (${${PROJECT}_LIB_DIR}) +link_directories (${PROJECT_LIB_DIR}) # executable path -set (EXECUTABLE_OUTPUT_PATH ${${PROJECT}_BINARY_DIR}) +set (EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}) # verbose set (CMAKE_VERBOSE_MAKEFILE ON) diff --git a/mathmech/mm_envir/mm_envir.doxygen b/mathmech/mm_envir/mm_envir.doxygen index 851f989..3e688f0 100644 --- a/mathmech/mm_envir/mm_envir.doxygen +++ b/mathmech/mm_envir/mm_envir.doxygen @@ -32,7 +32,7 @@ PROJECT_NAME = mm_envir # This could be handy for archiving the generated documentation or # if some version control system is used. -PROJECT_NUMBER = V.1.0.1 +PROJECT_NUMBER = V.1.0.2 # Using the PROJECT_BRIEF tag one can provide an optional one line description # for a project that appears at the top of each page and should give viewer diff --git a/mathmech/mm_envir/mm_envir.pdf b/mathmech/mm_envir/mm_envir.pdf index 87e7e2b..6c5bacf 100644 Binary files a/mathmech/mm_envir/mm_envir.pdf and b/mathmech/mm_envir/mm_envir.pdf differ diff --git a/mathmech/mm_envir/src/CMakeLists.txt b/mathmech/mm_envir/src/CMakeLists.txt index e3486ad..76803b8 100644 --- a/mathmech/mm_envir/src/CMakeLists.txt +++ b/mathmech/mm_envir/src/CMakeLists.txt @@ -1,10 +1,3 @@ -set ("${PROJECT}_VERSION_MAJOR" 1) -set ("${PROJECT}_VERSION_MINOR" 0) -set ("${PROJECT}_VERSION_PATCH" 1) -set ("${PROJECT}_VERSION" ${${PROJECT}_VERSION_MAJOR}.${${PROJECT}_VERSION_MINOR}.${${PROJECT}_VERSION_PATCH}) - -message (STATUS "${PROJECT}: Version ${${PROJECT}_VERSION}") - # set files aux_source_directory (. SOURCES) diff --git a/mathmech/mm_envir/src/main.c b/mathmech/mm_envir/src/main.c index 0b39b71..370a0ef 100644 --- a/mathmech/mm_envir/src/main.c +++ b/mathmech/mm_envir/src/main.c @@ -63,7 +63,7 @@ * You may also download compiled executable file for Win_x86. * * @page Changelog - * V.1.0.1 (2013-07-27) + * V.1.0.2 (2013-07-27) * * initial release */ @@ -130,7 +130,7 @@ 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 : 1.0.1 License : GPL\n", tmp_str); + sprintf (tmp_str, "%sVersion : 1.0.2 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/mm_radf/CMakeLists.txt b/mathmech/mm_radf/CMakeLists.txt index 1cfa66b..329e720 100644 --- a/mathmech/mm_radf/CMakeLists.txt +++ b/mathmech/mm_radf/CMakeLists.txt @@ -29,4 +29,4 @@ set (LIBRARIES) set (TARGETS "") set (HEADERS "") -add_subdirectory (${${PROJECT}_SOURCE_DIR}) \ No newline at end of file +add_subdirectory (${PROJECT_SOURCE_DIR}) \ No newline at end of file diff --git a/mathmech/mm_radf/README b/mathmech/mm_radf/README index 3342ac2..0e5e45e 100644 --- a/mathmech/mm_radf/README +++ b/mathmech/mm_radf/README @@ -1,6 +1,6 @@ mm_radf - program that calculates radial distribution function (RDF) or radial-angles distribution function -Version : 1.0.1 +Version : 1.0.2 License : GPL Usage: diff --git a/mathmech/mm_radf/mm_radf.cmake b/mathmech/mm_radf/mm_radf.cmake index 2b4603e..2c0f3e2 100644 --- a/mathmech/mm_radf/mm_radf.cmake +++ b/mathmech/mm_radf/mm_radf.cmake @@ -1,16 +1,16 @@ # set directories -set (${PROJECT}_BINARY_DIR bin) -set (${PROJECT}_SOURCE_DIR src) -set (${PROJECT}_INCLUDE_DIR include) -set (${PROJECT}_LIB_DIR lib) +set (PROJECT_BINARY_DIR bin) +set (PROJECT_SOURCE_DIR src) +set (PROJECT_INCLUDE_DIR include) +set (PROJECT_LIB_DIR lib) # include_path -include_directories (${${PROJECT}_INCLUDE_DIR}/${PROJECT} - ${${PROJECT}_SOURCE_DIR}) +include_directories (${PROJECT_INCLUDE_DIR}/${PROJECT} + ${PROJECT_SOURCE_DIR}) # library path -link_directories (${${PROJECT}_LIB_DIR}) +link_directories (${PROJECT_LIB_DIR}) # executable path -set (EXECUTABLE_OUTPUT_PATH ${${PROJECT}_BINARY_DIR}) +set (EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}) # verbose set (CMAKE_VERBOSE_MAKEFILE ON) diff --git a/mathmech/mm_radf/mm_radf.doxygen b/mathmech/mm_radf/mm_radf.doxygen index 46fdcd6..e3c94d3 100644 --- a/mathmech/mm_radf/mm_radf.doxygen +++ b/mathmech/mm_radf/mm_radf.doxygen @@ -32,7 +32,7 @@ PROJECT_NAME = mm_radf # This could be handy for archiving the generated documentation or # if some version control system is used. -PROJECT_NUMBER = V.1.0.1 +PROJECT_NUMBER = V.1.0.2 # Using the PROJECT_BRIEF tag one can provide an optional one line description # for a project that appears at the top of each page and should give viewer diff --git a/mathmech/mm_radf/mm_radf.pdf b/mathmech/mm_radf/mm_radf.pdf index dd46ce6..bc55dc3 100644 Binary files a/mathmech/mm_radf/mm_radf.pdf and b/mathmech/mm_radf/mm_radf.pdf differ diff --git a/mathmech/mm_radf/src/CMakeLists.txt b/mathmech/mm_radf/src/CMakeLists.txt index e3486ad..76803b8 100644 --- a/mathmech/mm_radf/src/CMakeLists.txt +++ b/mathmech/mm_radf/src/CMakeLists.txt @@ -1,10 +1,3 @@ -set ("${PROJECT}_VERSION_MAJOR" 1) -set ("${PROJECT}_VERSION_MINOR" 0) -set ("${PROJECT}_VERSION_PATCH" 1) -set ("${PROJECT}_VERSION" ${${PROJECT}_VERSION_MAJOR}.${${PROJECT}_VERSION_MINOR}.${${PROJECT}_VERSION_PATCH}) - -message (STATUS "${PROJECT}: Version ${${PROJECT}_VERSION}") - # set files aux_source_directory (. SOURCES) diff --git a/mathmech/mm_radf/src/main.c b/mathmech/mm_radf/src/main.c index 78b181b..b97a242 100644 --- a/mathmech/mm_radf/src/main.c +++ b/mathmech/mm_radf/src/main.c @@ -70,7 +70,7 @@ * You may also download compiled executable file for Win_x86. * * @page Changelog - * V.1.0.1 (2013-07-27) + * V.1.0.2 (2013-07-27) * * initial release */ @@ -147,7 +147,7 @@ int main(int argc, char *argv[]) sprintf (tmp_str, " mm_radf\n"); sprintf (tmp_str, "%sProgram that calculates radial distribution function (RDF) or radial-angles\n", tmp_str); sprintf (tmp_str, "%sdistribution function\n", tmp_str); - sprintf (tmp_str, "%sVersion : 1.0.1 License : GPL\n", tmp_str); + sprintf (tmp_str, "%sVersion : 1.0.2 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/mm_statgen/CMakeLists.txt b/mathmech/mm_statgen/CMakeLists.txt index 8b3efcb..a9191e9 100644 --- a/mathmech/mm_statgen/CMakeLists.txt +++ b/mathmech/mm_statgen/CMakeLists.txt @@ -29,4 +29,4 @@ set (LIBRARIES) set (TARGETS "") set (HEADERS "") -add_subdirectory (${${PROJECT}_SOURCE_DIR}) \ No newline at end of file +add_subdirectory (${PROJECT_SOURCE_DIR}) \ No newline at end of file diff --git a/mathmech/mm_statgen/README b/mathmech/mm_statgen/README index 5517054..1807ba2 100644 --- a/mathmech/mm_statgen/README +++ b/mathmech/mm_statgen/README @@ -1,5 +1,5 @@ mm_statgen - program that analyzes molecular dynamic trajectories using topological analysis -Version: 1.0.1 +Version: 1.0.2 License: GPL Usage: diff --git a/mathmech/mm_statgen/mm_statgen.cmake b/mathmech/mm_statgen/mm_statgen.cmake index 2b4603e..2c0f3e2 100644 --- a/mathmech/mm_statgen/mm_statgen.cmake +++ b/mathmech/mm_statgen/mm_statgen.cmake @@ -1,16 +1,16 @@ # set directories -set (${PROJECT}_BINARY_DIR bin) -set (${PROJECT}_SOURCE_DIR src) -set (${PROJECT}_INCLUDE_DIR include) -set (${PROJECT}_LIB_DIR lib) +set (PROJECT_BINARY_DIR bin) +set (PROJECT_SOURCE_DIR src) +set (PROJECT_INCLUDE_DIR include) +set (PROJECT_LIB_DIR lib) # include_path -include_directories (${${PROJECT}_INCLUDE_DIR}/${PROJECT} - ${${PROJECT}_SOURCE_DIR}) +include_directories (${PROJECT_INCLUDE_DIR}/${PROJECT} + ${PROJECT_SOURCE_DIR}) # library path -link_directories (${${PROJECT}_LIB_DIR}) +link_directories (${PROJECT_LIB_DIR}) # executable path -set (EXECUTABLE_OUTPUT_PATH ${${PROJECT}_BINARY_DIR}) +set (EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}) # verbose set (CMAKE_VERBOSE_MAKEFILE ON) diff --git a/mathmech/mm_statgen/mm_statgen.doxygen b/mathmech/mm_statgen/mm_statgen.doxygen index a79a1f8..afee005 100644 --- a/mathmech/mm_statgen/mm_statgen.doxygen +++ b/mathmech/mm_statgen/mm_statgen.doxygen @@ -32,7 +32,7 @@ PROJECT_NAME = mm_statgen # This could be handy for archiving the generated documentation or # if some version control system is used. -PROJECT_NUMBER = V.1.0.1 +PROJECT_NUMBER = V.1.0.2 # Using the PROJECT_BRIEF tag one can provide an optional one line description # for a project that appears at the top of each page and should give viewer diff --git a/mathmech/mm_statgen/mm_statgen.pdf b/mathmech/mm_statgen/mm_statgen.pdf index ddd19c1..d187794 100644 Binary files a/mathmech/mm_statgen/mm_statgen.pdf and b/mathmech/mm_statgen/mm_statgen.pdf differ diff --git a/mathmech/mm_statgen/src/CMakeLists.txt b/mathmech/mm_statgen/src/CMakeLists.txt index e3486ad..76803b8 100644 --- a/mathmech/mm_statgen/src/CMakeLists.txt +++ b/mathmech/mm_statgen/src/CMakeLists.txt @@ -1,10 +1,3 @@ -set ("${PROJECT}_VERSION_MAJOR" 1) -set ("${PROJECT}_VERSION_MINOR" 0) -set ("${PROJECT}_VERSION_PATCH" 1) -set ("${PROJECT}_VERSION" ${${PROJECT}_VERSION_MAJOR}.${${PROJECT}_VERSION_MINOR}.${${PROJECT}_VERSION_PATCH}) - -message (STATUS "${PROJECT}: Version ${${PROJECT}_VERSION}") - # set files aux_source_directory (. SOURCES) diff --git a/mathmech/mm_statgen/src/main.c b/mathmech/mm_statgen/src/main.c index e8b1270..b0ea24e 100644 --- a/mathmech/mm_statgen/src/main.c +++ b/mathmech/mm_statgen/src/main.c @@ -66,7 +66,7 @@ * You may also download compiled executable file for Win_x86. * * @page Changelog - * V.1.0.1 (2013-07-27) + * V.1.0.2 (2013-07-27) * * initial release */ @@ -162,7 +162,7 @@ int main (int argc, char *argv[]) { sprintf (tmp_str, " mm_statgen\n"); sprintf (tmp_str, "%sProgram for analyze molecular dynamic trajectories\n", tmp_str); - sprintf (tmp_str, "%sVersion : 1.0.1 License : GPL\n", tmp_str); + sprintf (tmp_str, "%sVersion : 1.0.2 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/mm_trj/CMakeLists.txt b/mathmech/mm_trj/CMakeLists.txt index 3f45411..eb7df44 100644 --- a/mathmech/mm_trj/CMakeLists.txt +++ b/mathmech/mm_trj/CMakeLists.txt @@ -29,4 +29,4 @@ set (LIBRARIES) set (TARGETS "") set (HEADERS "") -add_subdirectory (${${PROJECT}_SOURCE_DIR}) \ No newline at end of file +add_subdirectory (${PROJECT_SOURCE_DIR}) \ No newline at end of file diff --git a/mathmech/mm_trj/README b/mathmech/mm_trj/README index d4fdab8..fffe251 100644 --- a/mathmech/mm_trj/README +++ b/mathmech/mm_trj/README @@ -1,5 +1,5 @@ mm_trj - program that generates trajectory files -Version : 1.0.1 +Version : 1.0.2 License : GPL Usage: diff --git a/mathmech/mm_trj/mm_trj.cmake b/mathmech/mm_trj/mm_trj.cmake index 2b4603e..2c0f3e2 100644 --- a/mathmech/mm_trj/mm_trj.cmake +++ b/mathmech/mm_trj/mm_trj.cmake @@ -1,16 +1,16 @@ # set directories -set (${PROJECT}_BINARY_DIR bin) -set (${PROJECT}_SOURCE_DIR src) -set (${PROJECT}_INCLUDE_DIR include) -set (${PROJECT}_LIB_DIR lib) +set (PROJECT_BINARY_DIR bin) +set (PROJECT_SOURCE_DIR src) +set (PROJECT_INCLUDE_DIR include) +set (PROJECT_LIB_DIR lib) # include_path -include_directories (${${PROJECT}_INCLUDE_DIR}/${PROJECT} - ${${PROJECT}_SOURCE_DIR}) +include_directories (${PROJECT_INCLUDE_DIR}/${PROJECT} + ${PROJECT_SOURCE_DIR}) # library path -link_directories (${${PROJECT}_LIB_DIR}) +link_directories (${PROJECT_LIB_DIR}) # executable path -set (EXECUTABLE_OUTPUT_PATH ${${PROJECT}_BINARY_DIR}) +set (EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}) # verbose set (CMAKE_VERBOSE_MAKEFILE ON) diff --git a/mathmech/mm_trj/mm_trj.doxygen b/mathmech/mm_trj/mm_trj.doxygen index 223048a..d3263ea 100644 --- a/mathmech/mm_trj/mm_trj.doxygen +++ b/mathmech/mm_trj/mm_trj.doxygen @@ -32,7 +32,7 @@ PROJECT_NAME = mm_trj # This could be handy for archiving the generated documentation or # if some version control system is used. -PROJECT_NUMBER = V.1.0.1 +PROJECT_NUMBER = V.1.0.2 # Using the PROJECT_BRIEF tag one can provide an optional one line description # for a project that appears at the top of each page and should give viewer diff --git a/mathmech/mm_trj/mm_trj.pdf b/mathmech/mm_trj/mm_trj.pdf index 4d6f138..e0abb32 100644 Binary files a/mathmech/mm_trj/mm_trj.pdf and b/mathmech/mm_trj/mm_trj.pdf differ diff --git a/mathmech/mm_trj/src/CMakeLists.txt b/mathmech/mm_trj/src/CMakeLists.txt index e3486ad..76803b8 100644 --- a/mathmech/mm_trj/src/CMakeLists.txt +++ b/mathmech/mm_trj/src/CMakeLists.txt @@ -1,10 +1,3 @@ -set ("${PROJECT}_VERSION_MAJOR" 1) -set ("${PROJECT}_VERSION_MINOR" 0) -set ("${PROJECT}_VERSION_PATCH" 1) -set ("${PROJECT}_VERSION" ${${PROJECT}_VERSION_MAJOR}.${${PROJECT}_VERSION_MINOR}.${${PROJECT}_VERSION_PATCH}) - -message (STATUS "${PROJECT}: Version ${${PROJECT}_VERSION}") - # set files aux_source_directory (. SOURCES) diff --git a/mathmech/mm_trj/src/main.c b/mathmech/mm_trj/src/main.c index 3e3642d..85c53d0 100644 --- a/mathmech/mm_trj/src/main.c +++ b/mathmech/mm_trj/src/main.c @@ -63,7 +63,7 @@ * You may also download compiled executable file for Win_x86. * * @page Changelog - * V.1.0.1 (2013-07-27) + * V.1.0.2 (2013-07-27) * * initial release */ @@ -127,7 +127,7 @@ int main(int argc, char *argv[]) { sprintf (tmp_str, " mm_trj\n"); sprintf (tmp_str, "%sProgram that generates trajectory files\n", tmp_str); - sprintf (tmp_str, "%sVersion : 1.0.1 License : GPL\n", tmp_str); + sprintf (tmp_str, "%sVersion : 1.0.2 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/mm_trj2pdb/CMakeLists.txt b/mathmech/mm_trj2pdb/CMakeLists.txt index ee9316a..81cad11 100644 --- a/mathmech/mm_trj2pdb/CMakeLists.txt +++ b/mathmech/mm_trj2pdb/CMakeLists.txt @@ -29,4 +29,4 @@ set (LIBRARIES) set (TARGETS "") set (HEADERS "") -add_subdirectory (${${PROJECT}_SOURCE_DIR}) \ No newline at end of file +add_subdirectory (${PROJECT_SOURCE_DIR}) \ No newline at end of file diff --git a/mathmech/mm_trj2pdb/README b/mathmech/mm_trj2pdb/README index ddc7504..7019ca5 100644 --- a/mathmech/mm_trj2pdb/README +++ b/mathmech/mm_trj2pdb/README @@ -1,5 +1,5 @@ mm_trj2pdb - program that creates PDB file from trajetory snapshot -Version: 1.0.1 +Version: 1.0.2 License: GPL Usage: diff --git a/mathmech/mm_trj2pdb/mm_trj2pdb.cmake b/mathmech/mm_trj2pdb/mm_trj2pdb.cmake index 2b4603e..2c0f3e2 100644 --- a/mathmech/mm_trj2pdb/mm_trj2pdb.cmake +++ b/mathmech/mm_trj2pdb/mm_trj2pdb.cmake @@ -1,16 +1,16 @@ # set directories -set (${PROJECT}_BINARY_DIR bin) -set (${PROJECT}_SOURCE_DIR src) -set (${PROJECT}_INCLUDE_DIR include) -set (${PROJECT}_LIB_DIR lib) +set (PROJECT_BINARY_DIR bin) +set (PROJECT_SOURCE_DIR src) +set (PROJECT_INCLUDE_DIR include) +set (PROJECT_LIB_DIR lib) # include_path -include_directories (${${PROJECT}_INCLUDE_DIR}/${PROJECT} - ${${PROJECT}_SOURCE_DIR}) +include_directories (${PROJECT_INCLUDE_DIR}/${PROJECT} + ${PROJECT_SOURCE_DIR}) # library path -link_directories (${${PROJECT}_LIB_DIR}) +link_directories (${PROJECT_LIB_DIR}) # executable path -set (EXECUTABLE_OUTPUT_PATH ${${PROJECT}_BINARY_DIR}) +set (EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}) # verbose set (CMAKE_VERBOSE_MAKEFILE ON) diff --git a/mathmech/mm_trj2pdb/mm_trj2pdb.doxygen b/mathmech/mm_trj2pdb/mm_trj2pdb.doxygen index 4c95052..f2facf9 100644 --- a/mathmech/mm_trj2pdb/mm_trj2pdb.doxygen +++ b/mathmech/mm_trj2pdb/mm_trj2pdb.doxygen @@ -32,7 +32,7 @@ PROJECT_NAME = mm_trj2pdb # This could be handy for archiving the generated documentation or # if some version control system is used. -PROJECT_NUMBER = V.1.0.1 +PROJECT_NUMBER = V.1.0.2 # Using the PROJECT_BRIEF tag one can provide an optional one line description # for a project that appears at the top of each page and should give viewer diff --git a/mathmech/mm_trj2pdb/mm_trj2pdb.pdf b/mathmech/mm_trj2pdb/mm_trj2pdb.pdf index 173406a..088294f 100644 Binary files a/mathmech/mm_trj2pdb/mm_trj2pdb.pdf and b/mathmech/mm_trj2pdb/mm_trj2pdb.pdf differ diff --git a/mathmech/mm_trj2pdb/src/CMakeLists.txt b/mathmech/mm_trj2pdb/src/CMakeLists.txt index e3486ad..76803b8 100644 --- a/mathmech/mm_trj2pdb/src/CMakeLists.txt +++ b/mathmech/mm_trj2pdb/src/CMakeLists.txt @@ -1,10 +1,3 @@ -set ("${PROJECT}_VERSION_MAJOR" 1) -set ("${PROJECT}_VERSION_MINOR" 0) -set ("${PROJECT}_VERSION_PATCH" 1) -set ("${PROJECT}_VERSION" ${${PROJECT}_VERSION_MAJOR}.${${PROJECT}_VERSION_MINOR}.${${PROJECT}_VERSION_PATCH}) - -message (STATUS "${PROJECT}: Version ${${PROJECT}_VERSION}") - # set files aux_source_directory (. SOURCES) diff --git a/mathmech/mm_trj2pdb/src/main.c b/mathmech/mm_trj2pdb/src/main.c index d144661..685dd66 100644 --- a/mathmech/mm_trj2pdb/src/main.c +++ b/mathmech/mm_trj2pdb/src/main.c @@ -59,7 +59,7 @@ * You may also download compiled executable file for Win_x86. * * @page Changelog - * V.1.0.1 (2013-07-27) + * V.1.0.2 (2013-07-27) * * initial release */ @@ -119,7 +119,7 @@ int main(int argc, char *argv[]) { sprintf (tmp_str, " mm_trj2pdb\n"); sprintf (tmp_str, "%sProgram for create PDB file from trajectory snapshot\n", tmp_str); - sprintf (tmp_str, "%sVersion : 1.0.1 License : GPL\n", tmp_str); + sprintf (tmp_str, "%sVersion : 1.0.2 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);