save_mol.c File Reference

Functions to save molecules information in the atomes project file format. More...

#include "global.h"
#include "project.h"

Include dependency graph for save_mol.c:

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Functions
int	save_atom_m (FILE *fp, project *this_proj, int s, int a)
	save atom data to file
int	save_this_mol (FILE *fp, project *this_proj, molecule *tmp)
	save this molecule data to file
int	save_mol (FILE *fp, project *this_proj)
	save molecule information to file

Detailed Description

Functions to save molecules information in the atomes project file format.

Author

Sébastien Le Roux sebas.nosp@m.tien.nosp@m..lero.nosp@m.ux@i.nosp@m.pcms..nosp@m.unis.nosp@m.tra.f.nosp@m.r

Definition in file save_mol.c.

Function Documentation

save_atom_m()

int save_atom_m	(	FILE *	fp,
		project *	this_proj,
		int	s,
		int	a )

save atom data to file

Parameters

fp	the file pointer
this_proj	the target project
s	the MD step
a	the atom number

Definition at line 70 of file save_mol.c.

save_mol()

int save_mol	(	FILE *	fp,
		project *	this_proj )

save molecule information to file

Parameters

fp	the file pointer
this_proj	the target project

Definition at line 106 of file save_mol.c.

save_this_mol()

int save_this_mol	(	FILE *	fp,
		project *	this_proj,
		molecule *	tmp )

save this molecule data to file

Parameters

fp	the file pointer
this_proj	the target project
tmp	the molecule that contains the data

Definition at line 86 of file save_mol.c.