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38 #ifndef GMX_FILEIO_XTCIO_H
39 #define GMX_FILEIO_XTCIO_H
41 #include "../math/vectypes.h"
42 #include "../utility/basedefinitions.h"
43 #include "../utility/real.h"
50 /* All functions return 1 if successful, 0 otherwise
51 * bOK tells if a frame is not corrupted
54 t_fileio *open_xtc(const char *filename, const char *mode);
55 /* Open a file for xdr I/O */
57 void close_xtc(t_fileio *fio);
58 /* Close the file for xdr I/O */
60 int read_first_xtc(t_fileio *fio,
61 int *natoms, int *step, real *time,
62 matrix box, rvec **x, real *prec, gmx_bool *bOK);
63 /* Open xtc file, read xtc file first time, allocate memory for x */
65 int read_next_xtc(t_fileio *fio,
66 int natoms, int *step, real *time,
67 matrix box, rvec *x, real *prec, gmx_bool *bOK);
68 /* Read subsequent frames */
70 int write_xtc(t_fileio *fio,
71 int natoms, int step, real time,
72 matrix box, rvec *x, real prec);
73 /* Write a frame to xtc file */
75 int xtc_check(const char *str, gmx_bool bResult, const char *file, int line);
76 #define XTC_CHECK(s, b) xtc_check(s, b, __FILE__, __LINE__)
78 void xtc_check_fat_err(const char *str, gmx_bool bResult, const char *file, int line);
79 #define XTC_CHECK_FAT_ERR(s, b) xtc_check_fat_err(s, b, __FILE__, __LINE__)