include/readinp.h

   1 /*
   2  * $Id$
   3  *
   4  *                This source code is part of
   5  *
   6  *                 G   R   O   M   A   C   S
   7  *
   8  *          GROningen MAchine for Chemical Simulations
   9  *
  10  *                        VERSION 3.2.0
  11  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  12  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  13  * Copyright (c) 2001-2004, The GROMACS development team,
  14  * check out http://www.gromacs.org for more information.
  15
  16  * This program is free software; you can redistribute it and/or
  17  * modify it under the terms of the GNU General Public License
  18  * as published by the Free Software Foundation; either version 2
  19  * of the License, or (at your option) any later version.
  20  *
  21  * If you want to redistribute modifications, please consider that
  22  * scientific software is very special. Version control is crucial -
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  26  * files - if they are missing, get the official version at www.gromacs.org.
  27  *
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  29  * the papers on the package - you can find them in the top README file.
  30  *
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  35  */
  36
  37 #ifndef _readinp_h
  38 #define _readinp_h
  39
  40 #ifdef HAVE_CONFIG_H
  41 #include <config.h>
  42 #endif
  43
  44 #include "typedefs.h"
  45
  46 typedef struct {
  47   int  count;
  48   bool bSet;
  49   char *name;
  50   char *value;
  51 } t_inpfile;
  52
  53 extern t_inpfile *read_inpfile(char *fn,int *ninp);
  54
  55 extern void write_inpfile(char *fn,int ninp,t_inpfile inp[]);
  56
  57 extern int get_eint(int *ninp,t_inpfile **inp,const char *name,int def);
  58
  59 extern real get_ereal(int *ninp,t_inpfile **inp,const char *name,real def);
  60
  61 extern char *get_estr(int *ninp,t_inpfile **inp,const char *name,char *def);
  62
  63 extern int get_eeenum(int *ninp,t_inpfile **inp,const char *name,const char **defs,
  64                       int *nerror,bool bPrintError);
  65 /* defs must be NULL terminated,
  66  * Add errors to nerror
  67  * When bPrintError=TRUE and invalid enum: print "ERROR: ..."
  68  */
  69
  70 extern int get_eenum(int *ninp,t_inpfile **inp,const char *name,const char **defs);
  71 /* defs must be NULL terminated */
  72
  73 /* Here are some macros to extract data from the inp structures.
  74  * Elements that are  removed  from the list after reading
  75  */
  76 #define STYPE(name,var,def)  if ((tmp=get_estr(&ninp,&inp,name,def)) != NULL) strcpy(var,tmp)
  77 #define ITYPE(name,var,def)  var=get_eint(&ninp,&inp,name,def)
  78 #define RTYPE(name,var,def)  var=get_ereal(&ninp,&inp,name,def)
  79 #define ETYPE(name,var,defs) var=get_eenum(&ninp,&inp,name,defs)
  80 #define EETYPE(name,var,defs,nerr,bErr) var=get_eeenum(&ninp,&inp,name,defs,nerr,bErr)
  81 #define CCTYPE(s) STYPE("\n; "s,dummy,NULL)
  82 #define CTYPE(s)  STYPE("; "s,dummy,NULL)
  83 /* This last one prints a comment line where you can add some explanation */
  84
  85 /* This structure is used for parsing arguments off the comand line */
  86 enum {
  87   etINT, etREAL, etTIME, etSTR,    etBOOL, etRVEC,   etENUM, etNR
  88 };
  89 /* names to print in help info */
  90 static char *argtp[etNR] = {
  91   "int", "real", "time", "string", "bool", "vector", "enum"
  92 };
  93
  94 typedef struct {
  95   char *option;
  96   bool bSet;
  97   int  type;
  98   union {
  99     void *v;   /* This is a nasty workaround, to be able to use initialized */
 100     int  *i;   /* arrays */
 101     real *r;
 102     char **c;  /* Must be pointer to string (when type == etSTR)         */
 103                /* or null terminated list of enums (when type == etENUM) */
 104     bool *b;
 105     rvec *rv;
 106   } u;
 107   char *desc;
 108 } t_pargs;
 109
 110 extern void get_pargs(int *argc,char *argv[],int nparg,t_pargs pa[],
 111                       bool bKeepArgs);
 112 /* Read a number of arguments from the command line.
 113  * For etINT, etREAL and etCHAR an extra argument is read (when present)
 114  * for etBOOL the boolean option is changed to the negate value
 115  * If !bKeepArgs, the command line arguments are removed from the command line
 116  */
 117
 118 extern bool is_hidden(t_pargs *pa);
 119 /* Return TRUE when the option is a secret one */
 120
 121 extern char *pa_val(t_pargs *pa,char *buf, int sz);
 122 /* Return the value of pa in the provided buffer buf, of size sz.
 123  * The return value is also a pointer to buf.
 124  */
 125
 126 extern int opt2parg_int(char *option,int nparg,t_pargs pa[]);
 127
 128 extern bool opt2parg_bool(char *option,int nparg,t_pargs pa[]);
 129
 130 extern real opt2parg_real(char *option,int nparg,t_pargs pa[]);
 131
 132 extern char *opt2parg_str(char *option,int nparg,t_pargs pa[]);
 133
 134 extern char *opt2parg_enum(char *option,int nparg,t_pargs pa[]);
 135
 136 extern bool opt2parg_bSet(char *option,int nparg,t_pargs pa[]);
 137
 138 extern void print_pargs(FILE *fp, int npargs,t_pargs pa[]);
 139
 140 extern void pr_enums(FILE *fp, int npargs,t_pargs pa[],int shell);
 141
 142 #endif