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33 * GRoups of Organic Molecules in ACtion for Science
41 /* this enum should correspond to the array deffile in gmxlib/filenm.c */
44 efTRX
, efTRO
, efTRN
, efTRR
, efTRJ
, efXTC
, efG87
,
46 efSTX
, efSTO
, efGRO
, efG96
, efPDB
, efBRK
, efENT
, efESP
, efPQR
, efXYZ
,
51 efTPX
, efTPS
, efTPR
, efTPA
, efTPB
,
52 efTEX
, efRTP
, efATP
, efHDB
,
54 efMAP
, efEPS
, efMAT
, efM2P
,
64 int ftp
; /* File type (see enum above) */
65 const char *opt
; /* Command line option */
66 const char *fn
; /* File name (as set in source code) */
67 unsigned long flag
; /* Flag for all kinds of info (see defs)*/
68 int nfiles
; /* number of files */
69 char **fns
; /* File names */
78 #define ffRW (ffREAD | ffWRITE)
79 #define ffOPTRD (ffREAD | ffOPT)
80 #define ffOPTWR (ffWRITE| ffOPT)
81 #define ffOPTRW (ffRW | ffOPT)
82 #define ffLIBRD (ffREAD | ffLIB)
83 #define ffLIBOPTRD (ffOPTRD | ffLIB)
84 #define ffRDMULT (ffREAD | ffMULT)
85 #define ffOPTRDMULT (ffRDMULT | ffOPT)
86 #define ffWRMULT (ffWRITE | ffMULT)
87 #define ffOPTWRMULT (ffWRMULT | ffOPT)