/*
- *
+ *
* 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:
* GRoups of Organic Molecules in ACtion for Science
*/
extern "C" {
#endif
-
+
/* this enum should correspond to the array deffile in gmxlib/filenm.c */
enum {
- efMDP, efGCT,
- efTRX, efTRO, efTRN, efTRR, efTRJ, efXTC, efG87,
- efEDR,
- efSTX, efSTO, efGRO, efG96, efPDB, efBRK, efENT, efESP, efPQR, efXYZ,
- efCPT,
- efLOG, efXVG, efOUT,
- efNDX,
- efTOP, efITP,
- efTPX, efTPS, efTPR, efTPA, efTPB,
- efTEX, efRTP, efATP, efHDB,
- efDAT, efDLG,
- efMAP, efEPS, efMAT, efM2P,
- efMTX,
- efEDI,
- efHAT,
- efCUB,
- efXPM,
- efRND,
- efNR
+ efMDP, efGCT,
+ efTRX, efTRO, efTRN, efTRR, efTRJ, efXTC, efG87,
+ efEDR,
+ efSTX, efSTO, efGRO, efG96, efPDB, efBRK, efENT, efESP, efPQR, efXYZ,
+ efCPT,
+ efLOG, efXVG, efOUT,
+ efNDX,
+ efTOP, efITP,
+ efTPX, efTPS, efTPR, efTPA, efTPB,
+ efTEX, efRTP, efATP, efHDB,
+ efDAT, efDLG,
+ efMAP, efEPS, efMAT, efM2P,
+ efMTX,
+ efEDI,
+ efHAT,
+ efCUB,
+ efXPM,
+ efRND,
+ efNR
};
typedef struct {
- int ftp; /* File type (see enum above) */
- const char *opt; /* Command line option */
- const char *fn; /* File name (as set in source code) */
- unsigned long flag; /* Flag for all kinds of info (see defs)*/
- int nfiles; /* number of files */
- char **fns; /* File names */
+ int ftp; /* File type (see enum above) */
+ const char *opt; /* Command line option */
+ const char *fn; /* File name (as set in source code) */
+ unsigned long flag; /* Flag for all kinds of info (see defs)*/
+ int nfiles; /* number of files */
+ char **fns; /* File names */
} t_filenm;
-#define ffSET 1<<0
-#define ffREAD 1<<1
-#define ffWRITE 1<<2
-#define ffOPT 1<<3
-#define ffLIB 1<<4
-#define ffMULT 1<<5
-#define ffRW (ffREAD | ffWRITE)
-#define ffOPTRD (ffREAD | ffOPT)
-#define ffOPTWR (ffWRITE| ffOPT)
-#define ffOPTRW (ffRW | ffOPT)
-#define ffLIBRD (ffREAD | ffLIB)
+#define ffSET 1<<0
+#define ffREAD 1<<1
+#define ffWRITE 1<<2
+#define ffOPT 1<<3
+#define ffLIB 1<<4
+#define ffMULT 1<<5
+#define ffRW (ffREAD | ffWRITE)
+#define ffOPTRD (ffREAD | ffOPT)
+#define ffOPTWR (ffWRITE| ffOPT)
+#define ffOPTRW (ffRW | ffOPT)
+#define ffLIBRD (ffREAD | ffLIB)
#define ffLIBOPTRD (ffOPTRD | ffLIB)
#define ffRDMULT (ffREAD | ffMULT)
#define ffOPTRDMULT (ffRDMULT | ffOPT)
#ifdef __cplusplus
}
#endif
-