/usr/include/gromacs/fileio/xtcio.h is in libgromacs-dev 5.1.2-1ubuntu1.
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* This file is part of the GROMACS molecular simulation package.
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#ifndef GMX_FILEIO_XTCIO_H
#define GMX_FILEIO_XTCIO_H
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.h"
#ifdef __cplusplus
extern "C" {
#endif
/* All functions return 1 if successful, 0 otherwise
* bOK tells if a frame is not corrupted
*/
t_fileio *open_xtc(const char *filename, const char *mode);
/* Open a file for xdr I/O */
void close_xtc(t_fileio *fio);
/* Close the file for xdr I/O */
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 */
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 */
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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