mirror of
https://github.com/arcan1s/moldyn.git
synced 2025-07-10 04:15:53 +00:00
42 lines
1.3 KiB
C
42 lines
1.3 KiB
C
/*
|
|
* ----------------------------------------------------------------------------
|
|
* "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 print_struct.h
|
|
* Header of mathmech library
|
|
* @author Evgeniy Alekseev (arcanis)
|
|
* @copyright Beerware
|
|
* @bug No known bugs
|
|
*/
|
|
|
|
#ifndef PRINT_STRUCT_H
|
|
#define PRINT_STRUCT_H
|
|
|
|
#include <mathmech/var_types.h>
|
|
|
|
|
|
/**
|
|
* @brief function that prints structure to pdb file
|
|
* @code
|
|
* print_structure (output, num_needed_mol, needed_mol, _system_info, _atom_info);
|
|
* @endcode
|
|
*
|
|
* @param output output file name
|
|
* @param num_needed_mol number of needed molecules
|
|
* @param needed_mol massive of number of needed molecules
|
|
* @param _system_info system information structure
|
|
* @param _atom_info atom information structure
|
|
*
|
|
* @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 */
|