/*
- *
+ *
* This source code is part of
- *
+ *
* G R O M A C S
- *
+ *
* GROningen MAchine for Chemical Simulations
- *
+ *
* VERSION 3.2.0
* Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* of the License, or (at your option) any later version.
- *
+ *
* If you want to redistribute modifications, please consider that
* scientific software is very special. Version control is crucial -
* bugs must be traceable. We will be happy to consider code for
* inclusion in the official distribution, but derived work must not
* be called official GROMACS. Details are found in the README & COPYING
* files - if they are missing, get the official version at www.gromacs.org.
- *
+ *
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
- *
+ *
* For more info, check our website at http://www.gromacs.org
- *
+ *
* And Hey:
* Gromacs Runs On Most of All Computer Systems
*/
extern "C" {
#endif
-/* All functions return 1 if successful, 0 otherwise
- * bOK tells if a frame is not corrupted
- */
+/* 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);
+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);
+ 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);
+ 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);
+ 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__)
+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__)
+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
}