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47 /* All functions return 1 if successful, 0 otherwise
48 * bOK tells if a frame is not corrupted
51 t_fileio *open_xtc(const char *filename, const char *mode);
52 /* Open a file for xdr I/O */
54 void close_xtc(t_fileio *fio);
55 /* Close the file for xdr I/O */
57 int read_first_xtc(t_fileio *fio,
58 int *natoms, int *step, real *time,
59 matrix box, rvec **x, real *prec, gmx_bool *bOK);
60 /* Open xtc file, read xtc file first time, allocate memory for x */
62 int read_next_xtc(t_fileio *fio,
63 int natoms, int *step, real *time,
64 matrix box, rvec *x, real *prec, gmx_bool *bOK);
65 /* Read subsequent frames */
67 int write_xtc(t_fileio *fio,
68 int natoms, int step, real time,
69 matrix box, rvec *x, real prec);
70 /* Write a frame to xtc file */
72 int xtc_check(const char *str, gmx_bool bResult, const char *file, int line);
73 #define XTC_CHECK(s, b) xtc_check(s, b, __FILE__, __LINE__)
75 void xtc_check_fat_err(const char *str, gmx_bool bResult, const char *file, int line);
76 #define XTC_CHECK_FAT_ERR(s, b) xtc_check_fat_err(s, b, __FILE__, __LINE__)