/* * ---------------------------------------------------------------------------- * "THE BEER-WARE LICENSE" (Revision 42): * Evgeniy Alekseev wrote this file. As long as you retain this notice you * can do whatever you want with this stuff. If we meet some day, and you think * this stuff is worth it, you can buy me a beer in return * ---------------------------------------------------------------------------- */ /** * @file add_main.c * Source code of statgen * @author Evgeniy Alekseev (arcanis) * @copyright Beerware * @bug No known bugs */ #include #include "add_main.h" #include #include #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) { if ((type_inter == 0) || (type_inter > 4)) return 11; if ((_system_info.cell[0] == 0.0) || (_system_info.cell[1] == 0.0) || (_system_info.cell[2] == 0.0)) return 12; if ((_system_info.to == -1) || (_system_info.from == -1)) return 13; if (num_of_inter == 0) return 14; if (input[0] == '#') return 15; if (output[0] == '#') return 16; if ((max_depth < 3) && (max_depth != 0)) return 19; return 0; } /** * @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) { int i, j; FILE *f_out; f_out = fopen (output, "w"); fprintf (f_out, "statgen ::: V.%s\n\n", PROJ_VERSION); fprintf (f_out, "CONFIGURATION\n"); fprintf (f_out, "LOG=%i\nQUIET=%i\n", log, quiet); fprintf (f_out, "MASK=%s\nFIRST=%i\nLAST=%i\n", input, _system_info.from, _system_info.to); fprintf (f_out, "CELL=%.4f,%.4f,%.4f\n", _system_info.cell[0], _system_info.cell[1], _system_info.cell[2]); fprintf (f_out, "ATOMS=%i", label_atom[0]); for (i=1; i