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added structure to all functions of library

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arcan1s
2014-01-28 03:11:30 +04:00
parent 38eb392e32
commit d88f3b317f
44 changed files with 945 additions and 819 deletions
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28
mathmech/mm/include/mathmech/read_puma.h
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@ -5,11 +5,33 @@
#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
* rw_puma (input, step, output, num_types, num_mol, num_atoms, ch_atom_types,
* atom_types, coords);
* @endcode
*
* @param input input file name
* @param step number of trajectory steps
* @param output mask of output files
* @param num_types number of molecule types
* @param num_mol massive of number of molecule of selected type
* @param num_atoms massive of number of atoms of selected molecule
* @param ch_atom_types massive of char atom types
* @param atom_types massive of atom types
* @param coords massive of coordinates
*
* @return 1 - file does not exist
* @return 0 - exit without errors
*/
int rw_puma (const char *, const int, const char *, const int, const int *,
const int *, const char *, const int *, float *);
#endif /* READ_PUMA_H */
#endif /* READ_PUMA_H */