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.
  19  *
  20  * If you want to redistribute modifications, please consider that
  21  * scientific software is very special. Version control is crucial -
  22  * bugs must be traceable. We will be happy to consider code for
  23  * inclusion in the official distribution, but derived work must not
  24  * be called official GROMACS. Details are found in the README & COPYING
  25  * files - if they are missing, get the official version at www.gromacs.org.
  26  *
  27  * To help us fund GROMACS development, we humbly ask that you cite
  28  * the papers on the package - you can find them in the top README file.
  29  *
  30  * For more info, check our website at http://www.gromacs.org
  31  *
  32  * And Hey:
  33  * Gromacs Runs On Most of All Computer Systems
  34  */
  35
  36 #ifndef _filenm_h
  37 #define _filenm_h
  38
  39 #include "futil.h"
  40
  41 #ifdef __cplusplus
  42 extern "C" {
  43 #endif
  44
  45 void set_default_file_name(const char *name);
  46 /* Set the default file name for all file types to name */
  47
  48 const char *ftp2ext(int ftp);
  49 /* Return extension for filetype */
  50
  51 const char *ftp2ext_generic(int ftp);
  52 /* Return extension for filetype, and a generic name for generic types
  53    (e.g. trx)*/
  54
  55 const char *ftp2desc(int ftp);
  56 /* Return description for file type */
  57
  58 const char *ftp2defnm(int ftp);
  59 /* Return default file name for file type */
  60
  61 const char *ftp2ftype(int ftp);
  62 /* Return Binary or ASCII depending on file type */
  63
  64 void pr_def(FILE *fp,int ftp);
  65 /* Print definitions for filename ftp */
  66
  67 void pr_defs(FILE *fp);
  68 /* Print definitions for all filename */
  69
  70 void pr_fns(FILE *fp,int nf,const t_filenm tfn[]);
  71 /* Print nf file names and types */
  72
  73 void pr_fopts(FILE *fp,int nf,const t_filenm tfn[], int shell);
  74 /* prints file options in tcsh 'complete' format */
  75
  76 void parse_file_args(int *argc,char *argv[],int nf,t_filenm fnm[],
  77                             gmx_bool bKeep, gmx_bool bReadNode);
  78 /* Parse command line for file names. When bKeep is set args are
  79  * not removed from argv. */
  80
  81 const char *opt2fn(const char *opt,int nfile, const t_filenm fnm[]);
  82 /* Return the filename belonging to cmd-line option opt, or NULL when
  83  * no such option. */
  84
  85 const char *opt2fn_master(const char *opt, int nfile,
  86                                 const t_filenm fnm[], t_commrec *cr);
  87 /* Return the filename belonging to cmd-line option opt, or NULL when
  88  * no such option or not running on master */
  89
  90
  91 int opt2fns(char **fns[], const char *opt,int nfile,
  92                    const t_filenm fnm[]);
  93 /* Return the filenames belonging to cmd-line option opt, or NULL when
  94  * no such option. */
  95
  96 #define opt2FILE(opt,nfile,fnm,mode) ffopen(opt2fn(opt,nfile,fnm),mode)
  97 /* Return a file pointer from the filename (see above) */
  98
  99 int fn2ftp(const char *fn);
 100 /* Return the filetype corrsponding to filename */
 101
 102 const char *ftp2fn(int ftp,int nfile,const t_filenm fnm[]);
 103 /* Return the first file name with type ftp, or NULL when none found. */
 104
 105 int ftp2fns(char **fns[], int ftp,int nfile,const t_filenm fnm[]);
 106 /* Return the number of files for the first option with type ftp
 107    and the files in **fns[] (will be allocated), or NULL when none found. */
 108
 109 #if 0
 110 /* This function is not thread-safe and used nowhere: */
 111 char *ftp2filter(int ftp);
 112 /* Return a file extension filter for file type */
 113 #endif
 114
 115 #define ftp2FILE(ftp,nfile,fnm,mode) ffopen(ftp2fn(ftp,nfile,fnm),mode)
 116 /* Return a file pointer from the filename (see above) */
 117
 118 gmx_bool ftp2bSet(int ftp,int nfile,const t_filenm fnm[]);
 119 /* Return TRUE when this file type has been found on the cmd-line */
 120
 121 gmx_bool opt2bSet(const char *opt,int nfile,const t_filenm fnm[]);
 122 /* Return TRUE when this option has been found on the cmd-line */
 123
 124 const char *opt2fn_null(const char *opt,int nfile,const t_filenm fnm[]);
 125 /* Return the filenm belonging top cmd-line option opt, or NULL when
 126  * no such option.
 127  * Also return NULL when opt is optional and option is not set.
 128  */
 129
 130 const char *ftp2fn_null(int ftp,int nfile,const t_filenm fnm[]);
 131 /* Return the first file name with type ftp, or NULL when none found.
 132  * Also return NULL when ftp is optional and option is not set.
 133  */
 134
 135 gmx_bool is_optional(const t_filenm *fnm);
 136 /* Return whether or not this filenm is optional */
 137
 138 gmx_bool is_output(const t_filenm *fnm);
 139 /* Return whether or not this filenm is output */
 140
 141 gmx_bool is_set(const t_filenm *fnm);
 142 /* Return whether or not this filenm is set */
 143
 144 /* When we do checkpointing, this routine is called to check for previous
 145  * output files and append a '.partNNNN' suffix before the (output) file extensions.
 146  */
 147 int add_suffix_to_output_names(t_filenm *fnm, int nfile, const char *suffix);
 148
 149 /* duplicate the filename list (to make a private copy for each thread,
 150    for example) */
 151 t_filenm *dup_tfn(int nf, const t_filenm tfn[]);
 152
 153 /* Free memory allocated for file names by parse_file_args(). */
 154 void done_filenms(int nf, t_filenm fnm[]);
 155
 156 #ifdef __cplusplus
 157 }
 158 #endif
 159
 160 #endif  /* _filenm_h */