*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#endif
/* types */
-
-/* Enumerated for different items in files */
-enum {
- eitemHEADER, eitemIR, eitemBOX,
- eitemTOP, eitemX, eitemV, eitemF, eitemNR
-};
-
/* Enumerated for data types in files */
enum {
eioREAL, eioFLOAT, eioDOUBLE, eioINT, eioINT64,
void gmx_fio_setdebug(t_fileio *fio, gmx_bool bDebug);
/* Set the debug mode */
-gmx_bool gmx_fio_getdebug(t_fileio *fio);
-/* Return whether debug mode is on in fio */
-
gmx_bool gmx_fio_getread(t_fileio *fio);
/* Return whether read mode is on in fio */
unsigned char digest[]);
-int xtc_seek_frame(t_fileio *fio, int frame, int natoms);
-
int xtc_seek_time(t_fileio *fio, real time, int natoms, gmx_bool bSeekForwardOnly);
-/* Add this to the comment string for debugging */
-void gmx_fio_set_comment(t_fileio *fio, const char *comment);
-
-/* Remove previously set comment */
-void gmx_fio_unset_comment(t_fileio *fio);
-
-
-
-
/********************************************************
* Read and write
********************************************************/
-/* basic reading & writing */
-gmx_bool gmx_fio_reade_real(t_fileio *fio, real *item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_reade_float(t_fileio *fio, float *item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_reade_double(t_fileio *fio, double *item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_reade_int(t_fileio *fio, int *item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_reade_int64(t_fileio *fio, gmx_int64_t *item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_reade_uchar(t_fileio *fio, unsigned char *item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_reade_ushort(t_fileio *fio, unsigned short *item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_reade_rvec(t_fileio *fio, rvec *item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_reade_ivec(t_fileio *fio, ivec *item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_reade_string(t_fileio *fio, char *item,
- const char *desc, const char *srcfile, int line);
-
-gmx_bool gmx_fio_writee_real(t_fileio *fio, real item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_writee_float(t_fileio *fio, float item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_writee_double(t_fileio *fio, double item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_writee_int(t_fileio *fio, int item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_writee_int64(t_fileio *fio, gmx_int64_t item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_writee_uchar(t_fileio *fio, unsigned char item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_writee_ushort(t_fileio *fio, unsigned short item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_writee_rvec(t_fileio *fio, rvec *item,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_writee_ivec(t_fileio *fio, ivec *item,
- const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_writee_string(t_fileio *fio, const char *item,
const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_doe_string(t_fileio *fio, char *item,
const char *desc, const char *srcfile, int line);
-
-
-
/* array reading & writing */
-gmx_bool gmx_fio_nreade_real(t_fileio *fio, real *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nreade_float(t_fileio *fio, float *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nreade_double(t_fileio *fio, double *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nreade_int(t_fileio *fio, int *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nreade_int64(t_fileio *fio, gmx_int64_t *item, int n,
- const char *desc, const char *srcfile,
- int line);
-gmx_bool gmx_fio_nreade_uchar(t_fileio *fio, unsigned char *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nreade_ushort(t_fileio *fio, unsigned short *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nreade_rvec(t_fileio *fio, rvec *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nreade_ivec(t_fileio *fio, ivec *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nreade_string(t_fileio *fio, char *item[], int n,
- const char *desc, const char *srcfile, int line);
-
-gmx_bool gmx_fio_nwritee_real(t_fileio *fio, const real *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nwritee_float(t_fileio *fio, const float *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nwritee_double(t_fileio *fio, const double *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nwritee_int(t_fileio *fio, const int *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nwritee_int64(t_fileio *fio,
- const gmx_int64_t *item, int n,
- const char *desc, const char *srcfile,
- int line);
-gmx_bool gmx_fio_nwritee_uchar(t_fileio *fio, const unsigned char *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nwritee_ushort(t_fileio *fio, const unsigned short *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nwritee_rvec(t_fileio *fio, const rvec *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nwritee_ivec(t_fileio *fio, const ivec *item, int n,
- const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nwritee_string(t_fileio *fio, const char *item[], int n,
- const char *desc, const char *srcfile, int line);
-
gmx_bool gmx_fio_ndoe_real(t_fileio *fio, real *item, int n,
const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_ndoe_float(t_fileio *fio, float *item, int n,
/* convenience macros */
-#define gmx_fio_read_real(fio, item) gmx_fio_reade_real(fio, &item, (#item), __FILE__, __LINE__)
-#define gmx_fio_read_float(fio, item) gmx_fio_reade_float(fio, &item, (#item), __FILE__, __LINE__)
-#define gmx_fio_read_double(fio, item) gmx_fio_reade_double(fio, &item, (#item), __FILE__, __LINE__)
-#define gmx_fio_read_int(fio, item) gmx_fio_reade_int(fio, &item, (#item), __FILE__, __LINE__)
-#define gmx_fio_read_int64(fio, item) gmx_fio_reade_int64(fio, &item, (#item), __FILE__, __LINE__)
-#define gmx_fio_read_uchar(fio, item) gmx_fio_reade_uchar(fio, &item, (#item), __FILE__, __LINE__)
-#define gmx_fio_read_ushort(fio, item) gmx_fio_reade_ushort(fio, &item, (#item), __FILE__, __LINE__)
-#define gmx_fio_read_rvec(fio, item) gmx_fio_reade_rvec(fio, item, (#item), __FILE__, __LINE__)
-#define gmx_fio_read_ivec(fio, item) gmx_fio_reade_ivec(fio, item, (#item), __FILE__, __LINE__)
-#define gmx_fio_read_string(fio, item) gmx_fio_reade_string(fio, item, (#item), __FILE__, __LINE__)
-
-#define gmx_fio_write_real(fio, item) gmx_fio_writee_real(fio, item, (#item), __FILE__, __LINE__)
-#define gmx_fio_write_float(fio, item) gmx_fio_writee_float(fio, item, (#item), __FILE__, __LINE__)
-#define gmx_fio_write_double(fio, item) gmx_fio_writee_double(fio, item, (#item), __FILE__, __LINE__)
-#define gmx_fio_write_int(fio, item) gmx_fio_writee_int(fio, item, (#item), __FILE__, __LINE__)
-#define gmx_fio_write_int64(fio, item) gmx_fio_writee_int64(fio, item, (#item), __FILE__, __LINE__)
-#define gmx_fio_write_uchar(fio, item) gmx_fio_writee_uchar(fio, item, (#item), __FILE__, __LINE__)
-#define gmx_fio_write_ushort(fio, item) gmx_fio_writee_ushort(fio, item, (#item), __FILE__, __LINE__)
-#define gmx_fio_write_rvec(fio, item) gmx_fio_writee_rvec(fio, item, (#item), __FILE__, __LINE__)
-#define gmx_fio_write_ivec(fio, item) gmx_fio_writee_ivec(fio, item, (#item), __FILE__, __LINE__)
#define gmx_fio_write_string(fio, item) gmx_fio_writee_string(fio, item, (#item), __FILE__, __LINE__)
#define gmx_fio_do_real(fio, item) gmx_fio_doe_real(fio, &item, (#item), __FILE__, __LINE__)
#define gmx_fio_do_string(fio, item) gmx_fio_doe_string(fio, item, (#item), __FILE__, __LINE__)
-
-
-#define gmx_fio_nread_real(fio, item, n) gmx_fio_nreade_real(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nread_float(fio, item, n) gmx_fio_nreade_float(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nread_double(fio, item, n) gmx_fio_nreade_double(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nread_int(fio, item, n) gmx_fio_nreade_int(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nread_int64(fio, item, n) gmx_fio_nreade_int64(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nread_uchar(fio, item, n) gmx_fio_nreade_uchar(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nread_ushort(fio, item, n) gmx_fio_nreade_ushort(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nread_rvec(fio, item, n) gmx_fio_nreade_rvec(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nread_ivec(fio, item, n) gmx_fio_nreade_ivec(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nread_string(fio, item, n) gmx_fio_nreade_string(fio, item, n, (#item), __FILE__, __LINE__)
-
-#define gmx_fio_nwrite_real(fio, item, n) gmx_fio_nwritee_real(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nwrite_float(fio, item, n) gmx_fio_nwritee_float(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nwrite_double(fio, item, n) gmx_fio_nwritee_double(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nwrite_int(fio, item, n) gmx_fio_nwritee_int(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nwrite_int64(fio, item, n) gmx_fio_nwritee_int64(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nwrite_uchar(fio, item, n) gmx_fio_nwritee_uchar(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nwrite_ushort(fio, item, n) gmx_fio_nwritee_ushort(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nwrite_rvec(fio, item, n) gmx_fio_nwritee_rvec(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nwrite_ivec(fio, item, n) gmx_fio_nwritee_ivec(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nwrite_string(fio, item, n) gmx_fio_nwritee_string(fio, item, n, (#item), __FILE__, __LINE__)
-
#define gmx_fio_ndo_real(fio, item, n) gmx_fio_ndoe_real(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_ndo_float(fio, item, n) gmx_fio_ndoe_float(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_ndo_double(fio, item, n) gmx_fio_ndoe_double(fio, item, n, (#item), __FILE__, __LINE__)
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff