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38 #ifndef GMX_FILEIO_FILENM_H
39 #define GMX_FILEIO_FILENM_H
47 /* this enum should correspond to the array deffile in gmxlib/filenm.c */
50 efTRX, efTRO, efTRN, efTRR, efTRJ, efXTC, efG87,
52 efSTX, efSTO, efGRO, efG96, efPDB, efBRK, efENT, efESP, efPQR, efXYZ,
57 efTPX, efTPS, efTPR, efTPA, efTPB,
58 efTEX, efRTP, efATP, efHDB,
60 efMAP, efEPS, efMAT, efM2P,
70 int ftp; /* File type (see enum above) */
71 const char *opt; /* Command line option */
72 const char *fn; /* File name (as set in source code) */
73 unsigned long flag; /* Flag for all kinds of info (see defs)*/
74 int nfiles; /* number of files */
75 char **fns; /* File names */
84 #define ffRW (ffREAD | ffWRITE)
85 #define ffOPTRD (ffREAD | ffOPT)
86 #define ffOPTWR (ffWRITE| ffOPT)
87 #define ffOPTRW (ffRW | ffOPT)
88 #define ffLIBRD (ffREAD | ffLIB)
89 #define ffLIBOPTRD (ffOPTRD | ffLIB)
90 #define ffRDMULT (ffREAD | ffMULT)
91 #define ffOPTRDMULT (ffRDMULT | ffOPT)
92 #define ffWRMULT (ffWRITE | ffMULT)
93 #define ffOPTWRMULT (ffWRMULT | ffOPT)
95 void set_default_file_name(const char *name);
96 /* Set the default file name for all file types to name */
98 const char *ftp2ext(int ftp);
99 /* Return extension for filetype */
101 const char *ftp2ext_generic(int ftp);
102 /* Return extension for filetype, and a generic name for generic types
105 const char *ftp2ext_with_dot(int ftp);
106 /* Return extension for filetype with a leading dot */
108 int ftp2generic_count(int ftp);
109 /* Return the number of filetypes for a generic filetype */
111 const int *ftp2generic_list(int ftp);
112 /* Return the list of filetypes for a generic filetype */
114 const char *ftp2desc(int ftp);
115 /* Return description for file type */
117 const char *ftp2defnm(int ftp);
118 /* Return default file name for file type */
120 const char *ftp2ftype(int ftp);
121 /* Return Binary or ASCII depending on file type */
123 void pr_fns(FILE *fp, int nf, const t_filenm tfn[]);
124 /* Print nf file names and types */
126 void pr_fopts(FILE *fp, int nf, const t_filenm tfn[], int shell);
127 /* prints file options in tcsh 'complete' format */
129 void parse_file_args(int *argc, char *argv[], int nf, t_filenm fnm[],
130 gmx_bool bKeep, gmx_bool bReadNode);
131 /* Parse command line for file names. When bKeep is set args are
132 * not removed from argv. */
134 const char *opt2fn(const char *opt, int nfile, const t_filenm fnm[]);
135 /* Return the filename belonging to cmd-line option opt, or NULL when
138 const char *opt2fn_master(const char *opt, int nfile,
139 const t_filenm fnm[], t_commrec *cr);
140 /* Return the filename belonging to cmd-line option opt, or NULL when
141 * no such option or not running on master */
144 int opt2fns(char **fns[], const char *opt, int nfile,
145 const t_filenm fnm[]);
146 /* Return the filenames belonging to cmd-line option opt, or NULL when
149 #define opt2FILE(opt, nfile, fnm, mode) ffopen(opt2fn(opt, nfile, fnm), mode)
150 /* Return a file pointer from the filename (see above) */
152 int fn2ftp(const char *fn);
153 /* Return the filetype corrsponding to filename */
155 const char *ftp2fn(int ftp, int nfile, const t_filenm fnm[]);
156 /* Return the first file name with type ftp, or NULL when none found. */
158 int ftp2fns(char **fns[], int ftp, int nfile, const t_filenm fnm[]);
159 /* Return the number of files for the first option with type ftp
160 and the files in **fns[] (will be allocated), or NULL when none found. */
162 #define ftp2FILE(ftp, nfile, fnm, mode) ffopen(ftp2fn(ftp, nfile, fnm), mode)
163 /* Return a file pointer from the filename (see above) */
165 gmx_bool ftp2bSet(int ftp, int nfile, const t_filenm fnm[]);
166 /* Return TRUE when this file type has been found on the cmd-line */
168 gmx_bool opt2bSet(const char *opt, int nfile, const t_filenm fnm[]);
169 /* Return TRUE when this option has been found on the cmd-line */
171 const char *opt2fn_null(const char *opt, int nfile, const t_filenm fnm[]);
172 /* Return the filenm belonging top cmd-line option opt, or NULL when
174 * Also return NULL when opt is optional and option is not set.
177 const char *ftp2fn_null(int ftp, int nfile, const t_filenm fnm[]);
178 /* Return the first file name with type ftp, or NULL when none found.
179 * Also return NULL when ftp is optional and option is not set.
182 gmx_bool is_optional(const t_filenm *fnm);
183 /* Return whether or not this filenm is optional */
185 gmx_bool is_output(const t_filenm *fnm);
186 /* Return whether or not this filenm is output */
188 gmx_bool is_set(const t_filenm *fnm);
189 /* Return whether or not this filenm is set */
191 /* When we do checkpointing, this routine is called to check for previous
192 * output files and append a '.partNNNN' suffix before the (output) file extensions.
194 int add_suffix_to_output_names(t_filenm *fnm, int nfile, const char *suffix);
196 /* duplicate the filename list (to make a private copy for each thread,
198 t_filenm *dup_tfn(int nf, const t_filenm tfn[]);
200 /* Free memory allocated for file names by parse_file_args(). */
201 void done_filenms(int nf, t_filenm fnm[]);
207 #endif /* GMX_FILEIO_FILENM_H */