diff --git a/mathmech/PKGBUILD b/mathmech/PKGBUILD index 7221187..0d2475b 100644 --- a/mathmech/PKGBUILD +++ b/mathmech/PKGBUILD @@ -11,7 +11,7 @@ license=('Beerware') depends=('qt4' 'qwt') makedepends=('cmake' 'automoc4') source=(https://github.com/arcan1s/moldyn/releases/download/mm-${pkgver}/${pkgname}-${pkgver}-src.zip) -md5sums=('e7d983f602fcfd3f390e72ef684fe5e2') +md5sums=('7b52d5d3cf576f1b6ae88d0e5ab8a2c2') _cmakekeys="-DCMAKE_INSTALL_PREFIX=/usr -DQWT_INCLUDE_PATH=/usr/include/qwt -DQWT_LIBRARY_PATH=/usr/lib diff --git a/mathmech/agl/src/add_main.c b/mathmech/agl/src/add_main.c index 9a67b4e..6b0f8bf 100644 --- a/mathmech/agl/src/add_main.c +++ b/mathmech/agl/src/add_main.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file add_main.c + * Source code of agl + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/agl/src/add_main.h b/mathmech/agl/src/add_main.h index e73134d..09e7080 100644 --- a/mathmech/agl/src/add_main.h +++ b/mathmech/agl/src/add_main.h @@ -7,28 +7,22 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file add_main.h + * Header of agl + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef ADD_MAIN_H #define ADD_MAIN_H - -/** - * @file - */ - #include #include #include -/** - * @fn error_checking - */ -int error_checking (const char *aglinp, const system_info _system_info, - const char *input, const char *output); /** * @brief function that checks errors in input variables * @code @@ -46,13 +40,10 @@ int error_checking (const char *aglinp, const system_info _system_info, * @return 14 - error in 'aglinp' * @return 0 - exit without errors */ +int error_checking (const char *aglinp, const system_info _system_info, + const char *input, const char *output); -/** - * @fn print_message - */ -int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, - const int mode, const char *str); /** * @brief function that prints message in log and stdout * @code @@ -68,13 +59,10 @@ int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log * * @return 0 - exit without errors */ +int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, + const int mode, const char *str); -/** - * @fn set_defaults - */ -int set_defaults (char *aglinp, system_info *_system_info, char *input, int *log, char *output, - int *quiet); /** * @brief function that sets default values of variables * @code @@ -90,6 +78,8 @@ int set_defaults (char *aglinp, system_info *_system_info, char *input, int *log * * @return 0 - exit without errors */ +int set_defaults (char *aglinp, system_info *_system_info, char *input, int *log, char *output, + int *quiet); #endif /* ADD_MAIN_H */ diff --git a/mathmech/agl/src/main.c b/mathmech/agl/src/main.c index 890858e..2423b7e 100644 --- a/mathmech/agl/src/main.c +++ b/mathmech/agl/src/main.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file main.c + * Source code of agl + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/envir/src/add_main.c b/mathmech/envir/src/add_main.c index d3109b3..74d56c3 100644 --- a/mathmech/envir/src/add_main.c +++ b/mathmech/envir/src/add_main.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file add_main.c + * Source code of envir + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/envir/src/add_main.h b/mathmech/envir/src/add_main.h index a5900ef..78cb66f 100644 --- a/mathmech/envir/src/add_main.h +++ b/mathmech/envir/src/add_main.h @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file add_main.h + * Header of envir + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef ADD_MAIN_H @@ -16,11 +20,6 @@ #include -/** - * @fn error_checking - */ -int error_checking (const system_info _system_info, const char *input, - const char *output); /** * @brief function that checks errors in input variables * @code @@ -36,13 +35,10 @@ int error_checking (const system_info _system_info, const char *input, * @return 13 - error in 'output' * @return 0 - exit without errors */ +int error_checking (const system_info _system_info, const char *input, + const char *output); -/** - * @fn print_message - */ -int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, - const int mode, const char *str); /** * @brief function that prints message in log and stdout * @code @@ -58,13 +54,10 @@ int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log * * @return 0 - exit without errors */ +int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, + const int mode, const char *str); -/** - * @fn set_defaults - */ -int set_defaults (system_info *_system_info, char *input, int *log, int *num_of_mol, - char *output, int *quiet, float *rad); /** * @brief function that sets default values of variables * @code @@ -82,6 +75,8 @@ int set_defaults (system_info *_system_info, char *input, int *log, int *num_of_ * * @return 0 - exit without errors */ +int set_defaults (system_info *_system_info, char *input, int *log, int *num_of_mol, + char *output, int *quiet, float *rad); #endif /* ADD_MAIN_H */ diff --git a/mathmech/envir/src/main.c b/mathmech/envir/src/main.c index 7efa980..7d239cd 100644 --- a/mathmech/envir/src/main.c +++ b/mathmech/envir/src/main.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file main.c + * Source code of envir + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mathmech/src/aboutwindow.cpp b/mathmech/mathmech/src/aboutwindow.cpp index 78755e2..380c566 100644 --- a/mathmech/mathmech/src/aboutwindow.cpp +++ b/mathmech/mathmech/src/aboutwindow.cpp @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file aboutwindow.cpp + * Source code of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #include #include "aboutwindow.h" diff --git a/mathmech/mathmech/src/aboutwindow.h b/mathmech/mathmech/src/aboutwindow.h index 9cb565e..0bda13c 100644 --- a/mathmech/mathmech/src/aboutwindow.h +++ b/mathmech/mathmech/src/aboutwindow.h @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file aboutwindow.h + * Header of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #ifndef ABOUTWINDOW_H #define ABOUTWINDOW_H diff --git a/mathmech/mathmech/src/agglwindow.cpp b/mathmech/mathmech/src/agglwindow.cpp index 16628c4..06c32a1 100644 --- a/mathmech/mathmech/src/agglwindow.cpp +++ b/mathmech/mathmech/src/agglwindow.cpp @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file agglwindow.cpp + * Source code of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #include #include #include diff --git a/mathmech/mathmech/src/agglwindow.h b/mathmech/mathmech/src/agglwindow.h index 38c8e41..ee8da4e 100644 --- a/mathmech/mathmech/src/agglwindow.h +++ b/mathmech/mathmech/src/agglwindow.h @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file agglwindow.h + * Header of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #ifndef AGGLWINDOW_H #define AGGLWINDOW_H diff --git a/mathmech/mathmech/src/aglallwindow.cpp b/mathmech/mathmech/src/aglallwindow.cpp index 7be9cc2..d4e34f6 100644 --- a/mathmech/mathmech/src/aglallwindow.cpp +++ b/mathmech/mathmech/src/aglallwindow.cpp @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file aglallwindow.cpp + * Source code of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #include #include #include diff --git a/mathmech/mathmech/src/aglallwindow.h b/mathmech/mathmech/src/aglallwindow.h index 226f89b..53e7fdc 100644 --- a/mathmech/mathmech/src/aglallwindow.h +++ b/mathmech/mathmech/src/aglallwindow.h @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file aglallwindow.h + * Header of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #ifndef AGLALLWINDOW_H #define AGLALLWINDOW_H diff --git a/mathmech/mathmech/src/atomtypeswindow.cpp b/mathmech/mathmech/src/atomtypeswindow.cpp index d772f49..5eb898e 100644 --- a/mathmech/mathmech/src/atomtypeswindow.cpp +++ b/mathmech/mathmech/src/atomtypeswindow.cpp @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file atomtypeswindow.cpp + * Source code of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #include #include #include diff --git a/mathmech/mathmech/src/atomtypeswindow.h b/mathmech/mathmech/src/atomtypeswindow.h index b4574e1..4382a42 100644 --- a/mathmech/mathmech/src/atomtypeswindow.h +++ b/mathmech/mathmech/src/atomtypeswindow.h @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file atomtypeswindow.h + * Header of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #ifndef ATOMTYPESWINDOW_H #define ATOMTYPESWINDOW_H diff --git a/mathmech/mathmech/src/clear_items.cpp b/mathmech/mathmech/src/clear_items.cpp index abb9bf5..3cbf739 100644 --- a/mathmech/mathmech/src/clear_items.cpp +++ b/mathmech/mathmech/src/clear_items.cpp @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file clear_items.cpp + * Source code of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #include "clear_items.h" #include "mainwindow.h" diff --git a/mathmech/mathmech/src/clear_items.h b/mathmech/mathmech/src/clear_items.h index 4b9a789..ffb753d 100644 --- a/mathmech/mathmech/src/clear_items.h +++ b/mathmech/mathmech/src/clear_items.h @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file clear_items.h + * Header of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #ifndef CLEAR_ITEMS_H #define CLEAR_ITEMS_H diff --git a/mathmech/mathmech/src/errorwindow.cpp b/mathmech/mathmech/src/errorwindow.cpp index 74fe6b4..61216bc 100644 --- a/mathmech/mathmech/src/errorwindow.cpp +++ b/mathmech/mathmech/src/errorwindow.cpp @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file errorwindow.cpp + * Source code of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #include "errorwindow.h" #include "ui_errorwindow.h" diff --git a/mathmech/mathmech/src/errorwindow.h b/mathmech/mathmech/src/errorwindow.h index 2f0d114..7b1e610 100644 --- a/mathmech/mathmech/src/errorwindow.h +++ b/mathmech/mathmech/src/errorwindow.h @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file errorwindow.h + * Header of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #ifndef ERRORWINDOW_H #define ERRORWINDOW_H diff --git a/mathmech/mathmech/src/helpwindow.cpp b/mathmech/mathmech/src/helpwindow.cpp index 463a793..c1bf91c 100644 --- a/mathmech/mathmech/src/helpwindow.cpp +++ b/mathmech/mathmech/src/helpwindow.cpp @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file helpwindow.cpp + * Source code of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #include #include #include diff --git a/mathmech/mathmech/src/helpwindow.h b/mathmech/mathmech/src/helpwindow.h index 20e1428..c5eaf9d 100644 --- a/mathmech/mathmech/src/helpwindow.h +++ b/mathmech/mathmech/src/helpwindow.h @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file helpwindow.h + * Header of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #ifndef HELPWINDOW_H #define HELPWINDOW_H diff --git a/mathmech/mathmech/src/main.cpp b/mathmech/mathmech/src/main.cpp index deac4b3..32910b6 100644 --- a/mathmech/mathmech/src/main.cpp +++ b/mathmech/mathmech/src/main.cpp @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file main.cpp + * Source code of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #include "mainwindow.h" #include #include diff --git a/mathmech/mathmech/src/mainwindow.cpp b/mathmech/mathmech/src/mainwindow.cpp index f5c498d..01c57f2 100644 --- a/mathmech/mathmech/src/mainwindow.cpp +++ b/mathmech/mathmech/src/mainwindow.cpp @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file mainwindow.cpp + * Source code of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #include #include diff --git a/mathmech/mathmech/src/mainwindow.h b/mathmech/mathmech/src/mainwindow.h index ca7deb6..b518657 100644 --- a/mathmech/mathmech/src/mainwindow.h +++ b/mathmech/mathmech/src/mainwindow.h @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file mainwindow.h + * Header of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #ifndef MAINWINDOW_H #define MAINWINDOW_H diff --git a/mathmech/mathmech/src/settingswindow.cpp b/mathmech/mathmech/src/settingswindow.cpp index fbd3190..a2cffac 100644 --- a/mathmech/mathmech/src/settingswindow.cpp +++ b/mathmech/mathmech/src/settingswindow.cpp @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file settingswindow.cpp + * Source code of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #include #include #include diff --git a/mathmech/mathmech/src/settingswindow.h b/mathmech/mathmech/src/settingswindow.h index 7f8f2dd..8b9431f 100644 --- a/mathmech/mathmech/src/settingswindow.h +++ b/mathmech/mathmech/src/settingswindow.h @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file settingswindow.h + * Header of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #ifndef SETTINGSWINDOW_H #define SETTINGSWINDOW_H diff --git a/mathmech/mathmech/src/start_events.cpp b/mathmech/mathmech/src/start_events.cpp index 28e59ab..c0029c8 100644 --- a/mathmech/mathmech/src/start_events.cpp +++ b/mathmech/mathmech/src/start_events.cpp @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file start_events.cpp + * Source code of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #include #include diff --git a/mathmech/mathmech/src/start_events.h b/mathmech/mathmech/src/start_events.h index 460b0a2..1e6d4d8 100644 --- a/mathmech/mathmech/src/start_events.h +++ b/mathmech/mathmech/src/start_events.h @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file start_events.h + * Header of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #ifndef START_EVENTS_H #define START_EVENTS_H diff --git a/mathmech/mathmech/src/statgengraphwindow.cpp b/mathmech/mathmech/src/statgengraphwindow.cpp index f841454..d49f72a 100644 --- a/mathmech/mathmech/src/statgengraphwindow.cpp +++ b/mathmech/mathmech/src/statgengraphwindow.cpp @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file statgengraphwindow.cpp + * Source code of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #include #include #include diff --git a/mathmech/mathmech/src/statgengraphwindow.h b/mathmech/mathmech/src/statgengraphwindow.h index c02dfa2..a9a3431 100644 --- a/mathmech/mathmech/src/statgengraphwindow.h +++ b/mathmech/mathmech/src/statgengraphwindow.h @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file statgengraphwindow.h + * Header of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #ifndef STATGENGRAPHWINDOW_H #define STATGENGRAPHWINDOW_H diff --git a/mathmech/mathmech/src/update_fields.cpp b/mathmech/mathmech/src/update_fields.cpp index 18cab3f..74351ce 100644 --- a/mathmech/mathmech/src/update_fields.cpp +++ b/mathmech/mathmech/src/update_fields.cpp @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file update_fields.cpp + * Source code of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #include #include diff --git a/mathmech/mathmech/src/update_fields.h b/mathmech/mathmech/src/update_fields.h index 0e65d74..d6476f2 100644 --- a/mathmech/mathmech/src/update_fields.h +++ b/mathmech/mathmech/src/update_fields.h @@ -6,6 +6,14 @@ * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ +/** + * @file update_fields.h + * Header of mathmech + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs + */ + #ifndef UPDATE_FIELDS_H #define UPDATE_FIELDS_H diff --git a/mathmech/mm/include/mathmech/atom_types.h b/mathmech/mm/include/mathmech/atom_types.h index 3463d5a..6ae214c 100644 --- a/mathmech/mm/include/mathmech/atom_types.h +++ b/mathmech/mm/include/mathmech/atom_types.h @@ -7,18 +7,17 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file atom_types.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef ATOM_TYPES_H #define ATOM_TYPES_H -/** - * @fn reading_atoms - */ -int reading_atoms (const char *input_at, int *num_types, int *num_mol, int *num_atoms, - char *ch_atom_types, int *atom_types, const int total_types); /** * @brief function that reads atom types from input file * @code @@ -39,6 +38,8 @@ int reading_atoms (const char *input_at, int *num_types, int *num_mol, int *num_ * @return 3 - memory error * @return 0 - exit without errors */ +int reading_atoms (const char *input_at, int *num_types, int *num_mol, int *num_atoms, + char *ch_atom_types, int *atom_types, const int total_types); #endif /* ATOM_TYPES_H */ diff --git a/mathmech/mm/include/mathmech/coords.h b/mathmech/mm/include/mathmech/coords.h index 2894fa6..76d63c3 100644 --- a/mathmech/mm/include/mathmech/coords.h +++ b/mathmech/mm/include/mathmech/coords.h @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file coords.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef COORDS_H @@ -16,12 +20,6 @@ #include -/** - * @fn reading_coords - */ -int reading_coords (const int mode, const char *filename, const int type_inter, - const int *label_atom, system_info *_system_info, - int *true_label_mol, atom_info *_atom_info); /** * @brief function that reads coordinates from special file format * @code @@ -45,6 +43,9 @@ int reading_coords (const int mode, const char *filename, const int type_inter, * @return 3 - memory error * @return 0 - exit without errors */ +int reading_coords (const int mode, const char *filename, const int type_inter, + const int *label_atom, system_info *_system_info, + int *true_label_mol, atom_info *_atom_info); #endif /* COORDS_H */ diff --git a/mathmech/mm/include/mathmech/envir_search.h b/mathmech/mm/include/mathmech/envir_search.h index a0c89a3..b7afbae 100644 --- a/mathmech/mm/include/mathmech/envir_search.h +++ b/mathmech/mm/include/mathmech/envir_search.h @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file envir_search.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef ENVIR_SEARCH_H @@ -16,11 +20,6 @@ #include -/** - * @fn search_envir - */ -int search_envir (const int num_of_mol, const system_info _system_info, const float *centr_coords, - const double rad, int *needed_mol, int *num_needed_mol); /** * @brief function that searchs environment * @code @@ -37,6 +36,8 @@ int search_envir (const int num_of_mol, const system_info _system_info, const fl * * @return 0 - exit without errors */ +int search_envir (const int num_of_mol, const system_info _system_info, const float *centr_coords, + const double rad, int *needed_mol, int *num_needed_mol); #endif /* ENVIR_SEARCH_H */ diff --git a/mathmech/mm/include/mathmech/graph.h b/mathmech/mm/include/mathmech/graph.h index cf54601..01698fa 100644 --- a/mathmech/mm/include/mathmech/graph.h +++ b/mathmech/mm/include/mathmech/graph.h @@ -7,17 +7,17 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file graph.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef GRAPH_H #define GRAPH_H -/** - * @fn check_cycle - */ -int check_cycle (const int N, const int *pn); /** * @brief function that calculates number of cycles in graph * @code @@ -29,12 +29,9 @@ int check_cycle (const int N, const int *pn); * * @return number of cycles */ +int check_cycle (const int N, const int *pn); -/** - * @fn check_cycle_size - */ -int check_cycle_size (const int N, const int *matrix, const int depth, int *n_cycle); /** * @brief function that returns number of cycles different size * @code @@ -50,12 +47,9 @@ int check_cycle_size (const int N, const int *matrix, const int depth, int *n_cy * @return 1 - memory error * @return 0 - exit without errors */ +int check_cycle_size (const int N, const int *matrix, const int depth, int *n_cycle); -/** - * @fn check_tail - */ -int check_tail (const int *pn); /** * @brief function that calculates number of tails * @code @@ -66,12 +60,9 @@ int check_tail (const int *pn); * * @return number of tails */ +int check_tail (const int *pn); -/** - * @fn graph_analyze - */ -int graph_analyze (const int N, const int *matrix, const int max_depth, int *iso); /** * @brief function that analyzes graph isomorhic class * @code @@ -86,6 +77,7 @@ int graph_analyze (const int N, const int *matrix, const int max_depth, int *iso * @return 1 - memory error * @return 0 - exit without errors */ +int graph_analyze (const int N, const int *matrix, const int max_depth, int *iso); #endif /* GRAPH_H */ diff --git a/mathmech/mm/include/mathmech/messages.h b/mathmech/mm/include/mathmech/messages.h index 7cda964..19154e9 100644 --- a/mathmech/mm/include/mathmech/messages.h +++ b/mathmech/mm/include/mathmech/messages.h @@ -7,17 +7,17 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file messages.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef MESSAGES_H #define MESSAGES_H -/** - * @fn message - */ -int message (const int log, const int mode, const char *text, FILE *output); /** * @brief function that prints messages to output * @code @@ -32,6 +32,7 @@ int message (const int log, const int mode, const char *text, FILE *output); * @return 1 - unknown mode * @return 0 - exit without errors */ +int message (const int log, const int mode, const char *text, FILE *output); #endif /* MESSAGES_H */ diff --git a/mathmech/mm/include/mathmech/print_struct.h b/mathmech/mm/include/mathmech/print_struct.h index 335c4b5..c443f74 100644 --- a/mathmech/mm/include/mathmech/print_struct.h +++ b/mathmech/mm/include/mathmech/print_struct.h @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file print_struct.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef PRINT_STRUCT_H @@ -16,11 +20,6 @@ #include -/** - * @fn print_structure - */ -int print_structure (const char *output, const int num_needed_mol, const int *needed_mol, - const system_info _system_info, const atom_info *_atom_info); /** * @brief function that prints structure to pdb file * @code @@ -35,6 +34,8 @@ int print_structure (const char *output, const int num_needed_mol, const int *ne * * @return 0 - exit without errors */ +int print_structure (const char *output, const int num_needed_mol, const int *needed_mol, + const system_info _system_info, const atom_info *_atom_info); #endif /* PRINT_STRUCT_H */ diff --git a/mathmech/mm/include/mathmech/print_trj.h b/mathmech/mm/include/mathmech/print_trj.h index 73773ac..8d02727 100644 --- a/mathmech/mm/include/mathmech/print_trj.h +++ b/mathmech/mm/include/mathmech/print_trj.h @@ -7,19 +7,17 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file print_trj.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef PRINT_TRJ_H #define PRINT_TRJ_H -/** - * @fn printing_trj - */ -int printing_trj (const char *filename, const int atoms, const int num_types, const int *num_mol, - const int *num_atoms, const char *ch_atom_types, const int *atom_types, - const float *coords); /** * @brief function that prints trajectory snapshots * @code @@ -38,6 +36,9 @@ int printing_trj (const char *filename, const int atoms, const int num_types, co * * @return 0 - exit without errors */ +int printing_trj (const char *filename, const int atoms, const int num_types, const int *num_mol, + const int *num_atoms, const char *ch_atom_types, const int *atom_types, + const float *coords); #endif /* PRINT_TRJ_H */ diff --git a/mathmech/mm/include/mathmech/radf.h b/mathmech/mm/include/mathmech/radf.h index 8b0354e..453f701 100644 --- a/mathmech/mm/include/mathmech/radf.h +++ b/mathmech/mm/include/mathmech/radf.h @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file radf.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef RADF_H @@ -16,11 +20,6 @@ #include -/** - * @fn search_rdf - */ -int search_rdf (const system_info _system_info, const atom_info *_atom_info, - const radf_info _radf_info, int *radf); /** * @brief function that searchs molecule for rdf massive * @code @@ -34,13 +33,10 @@ int search_rdf (const system_info _system_info, const atom_info *_atom_info, * * @return 0 - exit without errors */ +int search_rdf (const system_info _system_info, const atom_info *_atom_info, + const radf_info _radf_info, int *radf); -/** - * @fn search_rdf_centr - */ -int search_rdf_centr (const system_info _system_info, const atom_info *_atom_info, - const radf_info _radf_info, int *radf); /** * @brief function that searchs molecule for rdf massive by centered coordinates * @code @@ -55,13 +51,10 @@ int search_rdf_centr (const system_info _system_info, const atom_info *_atom_inf * @return 0 - exit without errors * @return 1 - error in set center (missing atoms) */ +int search_rdf_centr (const system_info _system_info, const atom_info *_atom_info, + const radf_info _radf_info, int *radf); -/** - * @fn search_radf - */ -int search_radf (const system_info _system_info, const atom_info *_atom_info, - const radf_info _radf_info, int *radf); /** * @brief function that searchs molecule for radf massive * @code @@ -76,6 +69,8 @@ int search_radf (const system_info _system_info, const atom_info *_atom_info, * @return 0 - exit without errors * @return 1 - error in set center (missing atoms) */ +int search_radf (const system_info _system_info, const atom_info *_atom_info, + const radf_info _radf_info, int *radf); #endif /* RADF_H */ diff --git a/mathmech/mm/include/mathmech/radf_proc.h b/mathmech/mm/include/mathmech/radf_proc.h index 6e9d532..497bbef 100644 --- a/mathmech/mm/include/mathmech/radf_proc.h +++ b/mathmech/mm/include/mathmech/radf_proc.h @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file radf_proc.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef RADF_PROC_H @@ -16,12 +20,6 @@ #include -/** - * @fn print_result - */ -int print_result (const char *output, const int matrix, const int mode, - const system_info _system_info, const radf_info _radf_info, - const int *radf); /** * @brief function that print result to output file * @code @@ -37,6 +35,9 @@ int print_result (const char *output, const int matrix, const int mode, * * @return 0 - exit without errors */ +int print_result (const char *output, const int matrix, const int mode, + const system_info _system_info, const radf_info _radf_info, + const int *radf); #endif /* RADF_PROC_H */ diff --git a/mathmech/mm/include/mathmech/read_agl.h b/mathmech/mm/include/mathmech/read_agl.h index 91e1fe1..f03dd82 100644 --- a/mathmech/mm/include/mathmech/read_agl.h +++ b/mathmech/mm/include/mathmech/read_agl.h @@ -7,17 +7,17 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file read_agl.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef READ_AGL_H #define READ_AGL_H -/** - * @fn reading_agl - */ -int reading_agl (const char *aglinp, int *num_needed_mol, char *agl_class, int *needed_mol); /** * @brief function that reads agglomerate from statgen-formated file * @code @@ -31,6 +31,7 @@ int reading_agl (const char *aglinp, int *num_needed_mol, char *agl_class, int * * * @return 0 - exit without errors */ +int reading_agl (const char *aglinp, int *num_needed_mol, char *agl_class, int *needed_mol); #endif /* READ_AGL_H */ diff --git a/mathmech/mm/include/mathmech/read_gmx.h b/mathmech/mm/include/mathmech/read_gmx.h index 56962ab..48495cf 100644 --- a/mathmech/mm/include/mathmech/read_gmx.h +++ b/mathmech/mm/include/mathmech/read_gmx.h @@ -7,17 +7,17 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file read_gmx.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef READ_GMX_H #define READ_GMX_H -/** - * @fn translate_coords - */ -int translate_coords (const float coords, const float cell, float *trans); /** * @brief funtion that translates coordinate * @code @@ -30,14 +30,9 @@ int translate_coords (const float coords, const float cell, float *trans); * * @return 0 - exit without errors */ +int translate_coords (const float coords, const float cell, float *trans); -/** - * @fn rw_gmx - */ -int rw_gmx (const char *input, const int step, const char *output, const int num_types, - const int *num_mol, const int *num_atoms, const char *ch_atom_types, - const int *atom_types, float *coords); /** * @brief function that read GROMACS trajectory file and write to output * @code @@ -58,6 +53,9 @@ int rw_gmx (const char *input, const int step, const char *output, const int num * @return 1 - file does not exist * @return 0 - exit without errors */ +int rw_gmx (const char *input, const int step, const char *output, const int num_types, + const int *num_mol, const int *num_atoms, const char *ch_atom_types, + const int *atom_types, float *coords); #endif /* READ_GMX_H */ diff --git a/mathmech/mm/include/mathmech/read_puma.h b/mathmech/mm/include/mathmech/read_puma.h index 1cd4eb4..9b59fe0 100644 --- a/mathmech/mm/include/mathmech/read_puma.h +++ b/mathmech/mm/include/mathmech/read_puma.h @@ -7,19 +7,17 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file read_puma.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef READ_PUMA_H #define READ_PUMA_H -/** - * @fn rw_puma - */ -int rw_puma (const char *input, const int step, const char *output, const int num_types, - const int *num_mol, const int *num_atoms, const char *ch_atom_types, - const int *atom_types, float *coords); /** * @brief function that read PUMA trajectory file and write to output * @code @@ -40,6 +38,9 @@ int rw_puma (const char *input, const int step, const char *output, const int nu * @return 1 - file does not exist * @return 0 - exit without errors */ +int rw_puma (const char *input, const int step, const char *output, const int num_types, + const int *num_mol, const int *num_atoms, const char *ch_atom_types, + const int *atom_types, float *coords); #endif /* READ_PUMA_H */ diff --git a/mathmech/mm/include/mathmech/select_mol.h b/mathmech/mm/include/mathmech/select_mol.h index 4bcc4ca..3bd3c16 100644 --- a/mathmech/mm/include/mathmech/select_mol.h +++ b/mathmech/mm/include/mathmech/select_mol.h @@ -7,17 +7,17 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file select_mol.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef SELECT_MOL_H #define SELECT_MOL_H -/** - * @fn select_molecule - */ -int select_molecule (const float *centr_coords, const int num_needed_mol, int *needed_mol); /** * @brief function that selects molecules from array of translated molecules * @code @@ -30,6 +30,7 @@ int select_molecule (const float *centr_coords, const int num_needed_mol, int *n * * @return 0 - exit without errors */ +int select_molecule (const float *centr_coords, const int num_needed_mol, int *needed_mol); #endif /* SELECT_MOL_H */ diff --git a/mathmech/mm/include/mathmech/set_center.h b/mathmech/mm/include/mathmech/set_center.h index fc08134..be3cdd1 100644 --- a/mathmech/mm/include/mathmech/set_center.h +++ b/mathmech/mm/include/mathmech/set_center.h @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file set_center.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef SET_CENTER_H @@ -16,11 +20,6 @@ #include -/** - * @fn set_center - */ -int set_center (const system_info _system_info, const atom_info *_atom_info, - float *centr_coords); /** * @brief function that searchs center mass of molecules * @code @@ -33,6 +32,8 @@ int set_center (const system_info _system_info, const atom_info *_atom_info, * * @return 0 - exit without errors */ +int set_center (const system_info _system_info, const atom_info *_atom_info, + float *centr_coords); #endif /* SET_CENTER_H */ diff --git a/mathmech/mm/include/mathmech/stat_print.h b/mathmech/mm/include/mathmech/stat_print.h index 0ef35be..0d9610c 100644 --- a/mathmech/mm/include/mathmech/stat_print.h +++ b/mathmech/mm/include/mathmech/stat_print.h @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file stat_print.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef STAT_PRINT_H @@ -16,13 +20,6 @@ #include -/** - * @fn printing_agl - */ -int printing_agl (const char *input, const char *output, const int *connect, - const system_info _system_info, const int *true_label_mol, - const int *num_mol_agl, const int *agl, const int *stat, - const int max_depth, int *type_agl); /** * @brief function that prints agglomerates to output file * @code @@ -44,6 +41,10 @@ int printing_agl (const char *input, const char *output, const int *connect, * @return 1 - memory error * @return 0 - exit without errors */ +int printing_agl (const char *input, const char *output, const int *connect, + const system_info _system_info, const int *true_label_mol, + const int *num_mol_agl, const int *agl, const int *stat, + const int max_depth, int *type_agl); #endif /* STAT_PRINT_H */ diff --git a/mathmech/mm/include/mathmech/stat_select.h b/mathmech/mm/include/mathmech/stat_select.h index 25adab4..3fcabac 100644 --- a/mathmech/mm/include/mathmech/stat_select.h +++ b/mathmech/mm/include/mathmech/stat_select.h @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file stat_select.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef STAT_SELECT_H @@ -16,11 +20,6 @@ #include -/** - * @fn create_matrix - */ -int create_matrix (const system_info _system_info, const atom_info *_atom_info, - const int num_of_inter, const float *crit, int *connect); /** * @brief function that creates connectivity matrix * @code @@ -36,6 +35,8 @@ int create_matrix (const system_info _system_info, const atom_info *_atom_info, * @return 1 - memory error * @return 0 - exit without errors */ +int create_matrix (const system_info _system_info, const atom_info *_atom_info, + const int num_of_inter, const float *crit, int *connect); #endif /* STAT_SELECT_H */ diff --git a/mathmech/mm/include/mathmech/stat_sort.h b/mathmech/mm/include/mathmech/stat_sort.h index cc2329a..9e97054 100644 --- a/mathmech/mm/include/mathmech/stat_sort.h +++ b/mathmech/mm/include/mathmech/stat_sort.h @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file stat_sort.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef STAT_SORT_H @@ -16,11 +20,6 @@ #include -/** - * @fn proc_matrix - */ -int proc_matrix (const system_info _system_info, const int *connect, int *num_mol_agl, - int *agl, int *stat, int *stat_all); /** * @brief function that processes connectivity matrix * @code @@ -38,6 +37,8 @@ int proc_matrix (const system_info _system_info, const int *connect, int *num_mo * @return 1 - memory error * @return 0 - exit without errors */ +int proc_matrix (const system_info _system_info, const int *connect, int *num_mol_agl, + int *agl, int *stat, int *stat_all); #endif /* STAT_SORT_H */ diff --git a/mathmech/mm/include/mathmech/summary_stat.h b/mathmech/mm/include/mathmech/summary_stat.h index 18e9b62..1bfeb70 100644 --- a/mathmech/mm/include/mathmech/summary_stat.h +++ b/mathmech/mm/include/mathmech/summary_stat.h @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file summary_stat.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef SUMMARY_STAT_H @@ -16,11 +20,6 @@ #include -/** - * @fn summary_statistic - */ -int summary_statistic (const char *filename, const system_info _system_info, - const int max_depth, const int *type_agl, const int *stat_all); /** * @brief function that prints summary statistic * @code @@ -36,6 +35,8 @@ int summary_statistic (const char *filename, const system_info _system_info, * * @return 0 - exit without errors */ +int summary_statistic (const char *filename, const system_info _system_info, + const int max_depth, const int *type_agl, const int *stat_all); #endif /* SUMMARY_STAT_H */ diff --git a/mathmech/mm/include/mathmech/var_types.h b/mathmech/mm/include/mathmech/var_types.h index c7da137..c3410f3 100644 --- a/mathmech/mm/include/mathmech/var_types.h +++ b/mathmech/mm/include/mathmech/var_types.h @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file var_types.h + * Header of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef VAR_TYPES_H @@ -16,6 +20,15 @@ /** * @struct atom_info + * @brief atom information structure + * @var atom_info::label_mol + * massive of numbers of molecule for atoms + * @var atom_info::type_atoms + * massive of atom types + * @var atom_info::coords + * massive of coordinates + * @var atom_info::ch_type_atoms + * massive of char atom types */ typedef struct { @@ -24,17 +37,23 @@ typedef struct char ch_type_atoms[2]; float coords[3]; } atom_info; -/** - * @brief atom information structure - * @var label_mol massive of numbers of molecule for atoms - * @var type_atoms massive of atom types - * @var coords massive of coordinates - * @var ch_type_atoms massive of char atom types - */ /** * @struct radf_info + * @brief radf information structure + * @var radf_info::r_min + * minimal radius + * @var radf_info::r_max + * maximal radius + * @var radf_info::r_step + * radius step + * @var radf_info::ang_min + * minimal angle + * @var radf_info::ang_max + * minimal angle + * @var radf_info::ang_step + * angle step */ typedef struct { @@ -45,19 +64,21 @@ typedef struct float ang_max; float ang_step; } radf_info; -/** - * @brief radf information structure - * @var r_min minimal radius - * @var r_max maximal radius - * @var r_step radius step - * @var ang_min minimal angle - * @var ang_max minimal angle - * @var ang_step angle step - */ /** * @struct system_info + * @brief system information structure + * @var system_info::from + * last trajectory step + * @var system_info::to + * first trajectory step + * @var system_info::cell + * cell size + * @var system_info::num_atoms + * number of atoms + * @var system_info::num_mol + * number of molecules */ typedef struct { @@ -67,14 +88,6 @@ typedef struct int num_atoms; int num_mol; } system_info; -/** - * @brief system information structure - * @var from last trajectory step - * @var to first trajectory step - * @var cell cell size - * @var num_atoms number of atoms - * @var num_mol number of molecules - */ #endif /* VAR_TYPES_H */ diff --git a/mathmech/mm/src/atom_types.c b/mathmech/mm/src/atom_types.c index 87fe016..53631be 100644 --- a/mathmech/mm/src/atom_types.c +++ b/mathmech/mm/src/atom_types.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file atom_types.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/coords.c b/mathmech/mm/src/coords.c index 359cffa..ac37758 100644 --- a/mathmech/mm/src/coords.c +++ b/mathmech/mm/src/coords.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file coords.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/envir_search.c b/mathmech/mm/src/envir_search.c index 6ef0510..f6d54ec 100644 --- a/mathmech/mm/src/envir_search.c +++ b/mathmech/mm/src/envir_search.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file envir_search.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/graph.c b/mathmech/mm/src/graph.c index 6f44803..cfb5da3 100644 --- a/mathmech/mm/src/graph.c +++ b/mathmech/mm/src/graph.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file graph.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/main.c b/mathmech/mm/src/main.c index cfd71e1..0514603 100644 --- a/mathmech/mm/src/main.c +++ b/mathmech/mm/src/main.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file main.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/messages.c b/mathmech/mm/src/messages.c index e90530b..4458639 100644 --- a/mathmech/mm/src/messages.c +++ b/mathmech/mm/src/messages.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file messages.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/print_struct.c b/mathmech/mm/src/print_struct.c index 8ae9bbd..a0b33b7 100644 --- a/mathmech/mm/src/print_struct.c +++ b/mathmech/mm/src/print_struct.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file print_struct.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/print_trj.c b/mathmech/mm/src/print_trj.c index e980b0e..ecf8cb7 100644 --- a/mathmech/mm/src/print_trj.c +++ b/mathmech/mm/src/print_trj.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file print_trj.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/radf.c b/mathmech/mm/src/radf.c index b5454e7..22db8db 100644 --- a/mathmech/mm/src/radf.c +++ b/mathmech/mm/src/radf.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file radf.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/radf_proc.c b/mathmech/mm/src/radf_proc.c index ed48acf..f016c15 100644 --- a/mathmech/mm/src/radf_proc.c +++ b/mathmech/mm/src/radf_proc.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file radf_proc.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/read_agl.c b/mathmech/mm/src/read_agl.c index 9d83459..9be5cf6 100644 --- a/mathmech/mm/src/read_agl.c +++ b/mathmech/mm/src/read_agl.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file read_agl.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/read_gmx.c b/mathmech/mm/src/read_gmx.c index 1274abb..4e9d4fa 100644 --- a/mathmech/mm/src/read_gmx.c +++ b/mathmech/mm/src/read_gmx.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file read_gmx.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/read_puma.c b/mathmech/mm/src/read_puma.c index 12757ba..b8c2634 100644 --- a/mathmech/mm/src/read_puma.c +++ b/mathmech/mm/src/read_puma.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file read_puma.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/select_mol.c b/mathmech/mm/src/select_mol.c index a1a624c..27fea64 100644 --- a/mathmech/mm/src/select_mol.c +++ b/mathmech/mm/src/select_mol.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file select_mol.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/set_center.c b/mathmech/mm/src/set_center.c index ff8393f..7a4a05c 100644 --- a/mathmech/mm/src/set_center.c +++ b/mathmech/mm/src/set_center.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file set_center.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/stat_print.c b/mathmech/mm/src/stat_print.c index 3490d51..a3fba65 100644 --- a/mathmech/mm/src/stat_print.c +++ b/mathmech/mm/src/stat_print.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file stat_print.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/stat_select.c b/mathmech/mm/src/stat_select.c index 8c7d195..8aa6caa 100644 --- a/mathmech/mm/src/stat_select.c +++ b/mathmech/mm/src/stat_select.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file stat_select.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/stat_sort.c b/mathmech/mm/src/stat_sort.c index 7bcf0da..db7bd46 100644 --- a/mathmech/mm/src/stat_sort.c +++ b/mathmech/mm/src/stat_sort.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file stat_sort.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/mm/src/summary_stat.c b/mathmech/mm/src/summary_stat.c index 2051779..150a146 100644 --- a/mathmech/mm/src/summary_stat.c +++ b/mathmech/mm/src/summary_stat.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file summary_stat.c + * Source code of mathmech library + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/radf/src/add_main.c b/mathmech/radf/src/add_main.c index 9b6697c..7bb66c0 100644 --- a/mathmech/radf/src/add_main.c +++ b/mathmech/radf/src/add_main.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file add_main.c + * Source code of radf + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/radf/src/add_main.h b/mathmech/radf/src/add_main.h index 66b61c1..c2fcb62 100644 --- a/mathmech/radf/src/add_main.h +++ b/mathmech/radf/src/add_main.h @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file add_main.h + * Header of radf + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef ADD_MAIN_H @@ -16,11 +20,6 @@ #include -/** - * @fn error_checking - */ -int error_checking (const char *input, const int num_needed_at, const int *needed_at, - const char *output, const system_info _system_info); /** * @brief function that checks errors in input variables * @code @@ -41,13 +40,10 @@ int error_checking (const char *input, const int num_needed_at, const int *neede * @return 16 - error in 'needed_at' * @return 0 - exit without errors */ +int error_checking (const char *input, const int num_needed_at, const int *needed_at, + const char *output, const system_info _system_info); -/** - * @fn print_message - */ -int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, - const int mode, const char *str); /** * @brief function that prints message in log and stdout * @code @@ -63,14 +59,10 @@ int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log * * @return 0 - exit without errors */ +int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, + const int mode, const char *str); -/** - * @fn printing_head - */ -int printing_head (const char *output, const int log, const int quiet, const int matrix, - const char *input, const system_info _system_info, const int mode, - const radf_info _radf_info, const int *needed_at); /** * @brief function that prints header in output file * @code @@ -90,13 +82,11 @@ int printing_head (const char *output, const int log, const int quiet, const int * * @return 0 - exit without errors */ +int printing_head (const char *output, const int log, const int quiet, const int matrix, + const char *input, const system_info _system_info, const int mode, + const radf_info _radf_info, const int *needed_at); -/** - * @fn set_defaults - */ -int set_defaults (system_info *_system_info, radf_info *_radf_info, char *input, - int *log, int *matrix, char *output, int *quiet); /** * @brief function that sets default values of variables * @code @@ -112,6 +102,8 @@ int set_defaults (system_info *_system_info, radf_info *_radf_info, char *input, * * @return 0 - exit without errors */ +int set_defaults (system_info *_system_info, radf_info *_radf_info, char *input, + int *log, int *matrix, char *output, int *quiet); #endif /* ADD_MAIN_H */ diff --git a/mathmech/radf/src/main.c b/mathmech/radf/src/main.c index 12410d8..129cb7d 100644 --- a/mathmech/radf/src/main.c +++ b/mathmech/radf/src/main.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file main.c + * Source code of radf + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/statgen/src/add_main.c b/mathmech/statgen/src/add_main.c index 3270d0b..62c6799 100644 --- a/mathmech/statgen/src/add_main.c +++ b/mathmech/statgen/src/add_main.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file add_main.c + * Source code of statgen + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/statgen/src/add_main.h b/mathmech/statgen/src/add_main.h index 5387318..a7947a8 100644 --- a/mathmech/statgen/src/add_main.h +++ b/mathmech/statgen/src/add_main.h @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file add_main.h + * Header of statgen + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef ADD_MAIN_H @@ -16,11 +20,6 @@ #include -/** - * @fn error_checking - */ -int error_checking (const system_info _system_info, const char *input, const int max_depth, - const int num_of_inter, const char *output, const int type_inter); /** * @brief function that checks errors in input variables * @code @@ -43,15 +42,10 @@ int error_checking (const system_info _system_info, const char *input, const int * @return 19 - error in 'max_depth' * @return 0 - exit without errors */ +int error_checking (const system_info _system_info, const char *input, const int max_depth, + const int num_of_inter, const char *output, const int type_inter); -/** - * @fn printing_head - */ -int printing_head (const char *output, const int log, const int quiet, - const char *input, const system_info _system_info, - const int type_inter, const int *label_atom, - const int num_of_inter, const float *crit, const int max_depth); /** * @brief function that prints header in output file * @code @@ -72,13 +66,12 @@ int printing_head (const char *output, const int log, const int quiet, * * @return 0 - exit without errors */ +int printing_head (const char *output, const int log, const int quiet, + const char *input, const system_info _system_info, + const int type_inter, const int *label_atom, + const int num_of_inter, const float *crit, const int max_depth); -/** - * @fn print_message - */ -int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, - const int mode, const char *str); /** * @brief function that prints message in log and stdout * @code @@ -94,13 +87,10 @@ int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log * * @return 0 - exit without errors */ +int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, + const int mode, const char *str); -/** - * @fn set_defaults - */ -int set_defaults (system_info *_system_info, char *input, int *log, int *max_depth, - int *num_of_inter, char *output, int *type_inter, int *quiet); /** * @brief function that sets default values of variables * @code @@ -119,6 +109,8 @@ int set_defaults (system_info *_system_info, char *input, int *log, int *max_dep * * @return 0 - exit without errors */ +int set_defaults (system_info *_system_info, char *input, int *log, int *max_depth, + int *num_of_inter, char *output, int *type_inter, int *quiet); #endif /* ADD_MAIN_H */ diff --git a/mathmech/statgen/src/main.c b/mathmech/statgen/src/main.c index d419521..7543724 100644 --- a/mathmech/statgen/src/main.c +++ b/mathmech/statgen/src/main.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file main.c + * Source code of statgen + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/trj/src/add_main.c b/mathmech/trj/src/add_main.c index 3ef24db..16ebb23 100644 --- a/mathmech/trj/src/add_main.c +++ b/mathmech/trj/src/add_main.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file add_main.c + * Source code of trj + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/trj/src/add_main.h b/mathmech/trj/src/add_main.h index 9197d98..21abaed 100644 --- a/mathmech/trj/src/add_main.h +++ b/mathmech/trj/src/add_main.h @@ -7,18 +7,17 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file add_main.c + * Header of trj + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef ADD_MAIN_H #define ADD_MAIN_H -/** - * @fn error_checking - */ -int error_checking (const char *input, const char *input_at, const char *output, - const int step, const int type); /** * @brief function that checks errors in input variables * @code @@ -38,13 +37,10 @@ int error_checking (const char *input, const char *input_at, const char *output, * @return 15 - error in 'type' * @return 0 - exit without errors */ +int error_checking (const char *input, const char *input_at, const char *output, + const int step, const int type); -/** - * @fn print_message - */ -int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, - const int mode, const char *str); /** * @brief function that prints message in log and stdout * @code @@ -60,13 +56,10 @@ int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log * * @return 0 - exit without errors */ +int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, + const int mode, const char *str); -/** - * @fn set_defaults - */ -int set_defaults (char *input, char *input_at, int *log, char *output, int *step, - int *total_types, int *type, int *quiet); /** * @brief function that sets default values of variables * @code @@ -84,6 +77,8 @@ int set_defaults (char *input, char *input_at, int *log, char *output, int *step * * @return 0 - exit without errors */ +int set_defaults (char *input, char *input_at, int *log, char *output, int *step, + int *total_types, int *type, int *quiet); #endif /* ADD_MAIN_H */ diff --git a/mathmech/trj/src/main.c b/mathmech/trj/src/main.c index 93672aa..2731d2d 100644 --- a/mathmech/trj/src/main.c +++ b/mathmech/trj/src/main.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file main.c + * Source code of trj + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/trj2pdb/src/add_main.c b/mathmech/trj2pdb/src/add_main.c index 7422206..9fe71a6 100644 --- a/mathmech/trj2pdb/src/add_main.c +++ b/mathmech/trj2pdb/src/add_main.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file add_main.c + * Source code of trj2pdb + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include diff --git a/mathmech/trj2pdb/src/add_main.h b/mathmech/trj2pdb/src/add_main.h index 6c36331..26275ca 100644 --- a/mathmech/trj2pdb/src/add_main.h +++ b/mathmech/trj2pdb/src/add_main.h @@ -7,17 +7,17 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file add_main.h + * Header of trj2pdb + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #ifndef ADD_MAIN_H #define ADD_MAIN_H -/** - * @fn error_checking - */ -int error_checking (const const char *input, const char *output); /** * @brief function that checks errors in input variables * @code @@ -33,13 +33,9 @@ int error_checking (const const char *input, const char *output); * @return 12 - error in 'output' * @return 0 - exit without errors */ +int error_checking (const const char *input, const char *output); -/** - * @fn print_message - */ -int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, - const int mode, const char *str); /** * @brief function that prints message in log and stdout * @code @@ -55,12 +51,10 @@ int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log * * @return 0 - exit without errors */ +int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, + const int mode, const char *str); -/** - * @fn set_defaults - */ -int set_defaults (char *input, int *log, char *output, int *quiet); /** * @brief function that sets default values of variables * @code @@ -74,6 +68,7 @@ int set_defaults (char *input, int *log, char *output, int *quiet); * * @return 0 - exit without errors */ +int set_defaults (char *input, int *log, char *output, int *quiet); #endif /* ADD_MAIN_H */ diff --git a/mathmech/trj2pdb/src/main.c b/mathmech/trj2pdb/src/main.c index 0451d95..e4cabf8 100644 --- a/mathmech/trj2pdb/src/main.c +++ b/mathmech/trj2pdb/src/main.c @@ -7,7 +7,11 @@ * ---------------------------------------------------------------------------- */ /** - * @file + * @file main.c + * Source code of trj2pdb + * @author Evgeniy Alekseev (arcanis) + * @copyright Beerware + * @bug No known bugs */ #include