include/filenm.h

   1 /*
   2  *
   3  *                This source code is part of
   4  *
   5  *                 G   R   O   M   A   C   S
   6  *
   7  *          GROningen MAchine for Chemical Simulations
   8  *
   9  *                        VERSION 3.2.0
  10  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  11  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
  14
  15  * This program is free software; you can redistribute it and/or
  16  * modify it under the terms of the GNU General Public License
  17  * as published by the Free Software Foundation; either version 2
  18  * of the License, or (at your option) any later version.
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  21  * scientific software is very special. Version control is crucial -
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  35
  36 #ifndef _filenm_h
  37 #define _filenm_h
  38
  39 #ifdef HAVE_CONFIG_H
  40 #include <config.h>
  41 #endif
  42
  43
  44 #ifdef __cplusplus
  45 extern "C" {
  46 #endif
  47
  48 #include "futil.h"
  49
  50 void set_default_file_name(const char *name);
  51 /* Set the default file name for all file types to name */
  52
  53 extern const char *ftp2ext(int ftp);
  54 /* Return extension for filetype */
  55
  56   extern const char *ftp2ext_generic(int ftp);
  57 /* Return extension for filetype, and a generic name for generic types (e.g. trx)*/
  58
  59 extern const char *ftp2desc(int ftp);
  60 /* Return description for file type */
  61
  62 extern const char *ftp2defnm(int ftp);
  63 /* Return default file name for file type */
  64
  65 extern const char *ftp2ftype(int ftp);
  66 /* Return Binary or ASCII depending on file type */
  67
  68 extern void pr_def(FILE *fp,int ftp);
  69 /* Print definitions for filename ftp */
  70
  71 extern void pr_defs(FILE *fp);
  72 /* Print definitions for all filename */
  73
  74 extern void pr_fns(FILE *fp,int nf,t_filenm tfn[]);
  75 /* Print nf file names and types */
  76
  77 extern void pr_fopts(FILE *fp,int nf,t_filenm tfn[], int shell);
  78 /* prints file options in tcsh 'complete' format */
  79
  80 extern void parse_file_args(int *argc,char *argv[],int nf,t_filenm fnm[],
  81                             bool bKeep, bool bReadNode);
  82 /* Parse command line for file names. When bKeep is set args are
  83  * not removed from argv. */
  84
  85 extern char *opt2fn(const char *opt,int nfile,t_filenm fnm[]);
  86 /* Return the filename belonging to cmd-line option opt, or NULL when
  87  * no such option. */
  88
  89 extern char *opt2fn_master(const char *opt,int nfile,t_filenm fnm[],t_commrec *cr);
  90 /* Return the filename belonging to cmd-line option opt, or NULL when
  91  * no such option or not running on master */
  92
  93
  94 extern int opt2fns(char **fns[], const char *opt,int nfile,t_filenm fnm[]);
  95 /* Return the filenames belonging to cmd-line option opt, or NULL when
  96  * no such option. */
  97
  98 #define opt2FILE(opt,nfile,fnm,mode) ffopen(opt2fn(opt,nfile,fnm),mode)
  99 /* Return a file pointer from the filename (see above) */
 100
 101 extern int fn2ftp(const char *fn);
 102 /* Return the filetype corrsponding to filename */
 103
 104 extern char *ftp2fn(int ftp,int nfile,t_filenm fnm[]);
 105 /* Return the first file name with type ftp, or NULL when none found. */
 106
 107 extern int ftp2fns(char **fns[], int ftp,int nfile,t_filenm fnm[]);
 108 /* Return the number of files for the first option with type ftp
 109    and the files in **fns[] (will be allocated), or NULL when none found. */
 110
 111 extern char *ftp2filter(int ftp);
 112 /* Return a file extension filter for file type */
 113
 114 #define ftp2FILE(ftp,nfile,fnm,mode) ffopen(ftp2fn(ftp,nfile,fnm),mode)
 115 /* Return a file pointer from the filename (see above) */
 116
 117 extern bool ftp2bSet(int ftp,int nfile,t_filenm fnm[]);
 118 /* Return TRUE when this file type has been found on the cmd-line */
 119
 120 extern bool opt2bSet(const char *opt,int nfile,t_filenm fnm[]);
 121 /* Return TRUE when this option has been found on the cmd-line */
 122
 123 extern char *opt2fn_null(const char *opt,int nfile,t_filenm fnm[]);
 124 /* Return the filenm belonging top cmd-line option opt, or NULL when
 125  * no such option.
 126  * Also return NULL when opt is optional and option is not set.
 127  */
 128
 129 extern char *ftp2fn_null(int ftp,int nfile,t_filenm fnm[]);
 130 /* Return the first file name with type ftp, or NULL when none found.
 131  * Also return NULL when ftp is optional and option is not set.
 132  */
 133
 134 extern bool is_optional(t_filenm *fnm);
 135 /* Return whether or not this filenm is optional */
 136
 137 extern bool is_output(t_filenm *fnm);
 138 /* Return whether or not this filenm is output */
 139
 140 extern bool is_set(t_filenm *fnm);
 141 /* Return whether or not this filenm is set */
 142
 143 /* When we do checkpointing, this routine is called to check for previous
 144  * output files and append a 'partNNNN' suffix before the (output) file extensions.
 145  */
 146 int
 147 add_suffix_to_output_names(t_filenm *fnm, int nfile, char *suffix);
 148
 149 #ifdef __cplusplus
 150 }
 151 #endif
 152
 153 #endif  /* _filenm_h */