/usr/include/gromacs/xtcio.h is in gromacs-dev 4.6.5-1build1.
This file is owned by root:root, with mode 0o644.
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* This file is part of the GROMACS molecular simulation package.
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#ifndef _xtcio_h
#define _xtcio_h
#include "visibility.h"
#include "typedefs.h"
#include "gmxfio.h"
#include "xdrf.h"
#ifdef __cplusplus
extern "C" {
#endif
/* All functions return 1 if successful, 0 otherwise
* bOK tells if a frame is not corrupted
*/
GMX_LIBGMX_EXPORT
t_fileio *open_xtc(const char *filename, const char *mode);
/* Open a file for xdr I/O */
GMX_LIBGMX_EXPORT
void close_xtc(t_fileio *fio);
/* Close the file for xdr I/O */
GMX_LIBGMX_EXPORT
int read_first_xtc(t_fileio *fio,
int *natoms, int *step, real *time,
matrix box, rvec **x, real *prec, gmx_bool *bOK);
/* Open xtc file, read xtc file first time, allocate memory for x */
GMX_LIBGMX_EXPORT
int read_next_xtc(t_fileio *fio,
int natoms, int *step, real *time,
matrix box, rvec *x, real *prec, gmx_bool *bOK);
/* Read subsequent frames */
GMX_LIBGMX_EXPORT
int write_xtc(t_fileio *fio,
int natoms, int step, real time,
matrix box, rvec *x, real prec);
/* Write a frame to xtc file */
int xtc_check(const char *str, gmx_bool bResult, const char *file, int line);
#define XTC_CHECK(s, b) xtc_check(s, b, __FILE__, __LINE__)
void xtc_check_fat_err(const char *str, gmx_bool bResult, const char *file, int line);
#define XTC_CHECK_FAT_ERR(s, b) xtc_check_fat_err(s, b, __FILE__, __LINE__)
#ifdef __cplusplus
}
#endif
#endif
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