include/readinp.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 -
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  26  *
  27  * To help us fund GROMACS development, we humbly ask that you cite
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  34  */
  35
  36 #ifndef _readinp_h
  37 #define _readinp_h
  38
  39 #ifdef HAVE_CONFIG_H
  40 #include <config.h>
  41 #endif
  42
  43 #include "typedefs.h"
  44 #include "warninp.h"
  45
  46
  47 #ifdef __cplusplus
  48 extern "C" {
  49 #endif
  50
  51 typedef struct {
  52   int  count; /* sort order for output  */
  53   bool bObsolete; /* whether it is an obsolete param value */
  54   bool bSet; /* whether it it has been read out */
  55   char *name; /* name of the parameter */
  56   char *value; /* parameter value string */
  57 } t_inpfile;
  58 /* entry in input files (like .mdp files).
  59  Initally read in with read_inpfile, then filled in with missing values
  60  through get_eint, get_ereal, etc. */
  61
  62
  63
  64 extern t_inpfile *read_inpfile(const char *fn,int *ninp,
  65                                char **cppopts,
  66                                warninp_t wi);
  67 /* Create & populate a t_inpfile struct from values in file fn.
  68    fn = the file name
  69    ninp = the number of read parameters
  70    cppopts = the cpp-style options for #include paths and #defines */
  71
  72 extern void write_inpfile(const char *fn,int ninp,t_inpfile inp[],
  73                           bool bHaltOnUnknown,
  74                           warninp_t wi);
  75
  76 extern void replace_inp_entry(int ninp,t_inpfile *inp,
  77                               const char *old_entry,const char *new_entry);
  78
  79 extern int get_eint(int *ninp,t_inpfile **inp,const char *name,int def,
  80                       warninp_t wi);
  81
  82 extern gmx_large_int_t get_egmx_large_int(int *ninp,t_inpfile **inp,
  83                                           const char *name,gmx_large_int_t def,
  84                                           warninp_t);
  85
  86 extern double get_ereal(int *ninp,t_inpfile **inp,const char *name,double def,
  87                         warninp_t wi);
  88
  89 extern const char *get_estr(int *ninp,t_inpfile **inp,const char *name,const char *def);
  90
  91 extern int get_eeenum(int *ninp,t_inpfile **inp,const char *name,const char **defs,
  92                       warninp_t wi);
  93 /* defs must be NULL terminated */
  94
  95 extern int get_eenum(int *ninp,t_inpfile **inp,const char *name,const char **defs);
  96 /* defs must be NULL terminated */
  97
  98 /* Here are some dirty macros to extract data from the inp structures.
  99  * Most macros assume the variables ninp, inp and wi are present.
 100  * Elements are removed from the list after reading.
 101  */
 102 #define REM_TYPE(name)       replace_inp_entry(ninp,inp,name,NULL)
 103 #define REPL_TYPE(old,new)   replace_inp_entry(ninp,inp,old,new)
 104 #define STYPE(name,var,def)  if ((tmp=get_estr(&ninp,&inp,name,def)) != NULL) strcpy(var,tmp)
 105 #define STYPENC(name,def) get_estr(&ninp,&inp,name,def)
 106 #define ITYPE(name,var,def)  var=get_eint(&ninp,&inp,name,def,wi)
 107 #define STEPTYPE(name,var,def)  var=get_egmx_large_int(&ninp,&inp,name,def,wi)
 108 #define RTYPE(name,var,def)  var=get_ereal(&ninp,&inp,name,def,wi)
 109 #define ETYPE(name,var,defs) var=get_eenum(&ninp,&inp,name,defs)
 110 #define EETYPE(name,var,defs) var=get_eeenum(&ninp,&inp,name,defs,wi)
 111 #define CCTYPE(s) STYPENC("\n; "s,NULL)
 112 #define CTYPE(s)  STYPENC("; "s,NULL)
 113 /* This last one prints a comment line where you can add some explanation */
 114
 115 /* This structure is used for parsing arguments off the comand line */
 116 enum {
 117   etINT, etGMX_LARGE_INT, etREAL, etTIME, etSTR,    etBOOL, etRVEC,   etENUM, etNR
 118 };
 119
 120 /* names to print in help info */
 121 static const char *argtp[etNR] = {
 122   "int", "step", "real", "time", "string", "bool", "vector", "enum"
 123 };
 124
 125 typedef struct {
 126   const char *option;
 127   bool bSet;
 128   int  type;
 129   union {
 130     void *v;   /* This is a nasty workaround, to be able to use initialized */
 131     int  *i;   /* arrays */
 132     gmx_large_int_t *is;
 133     real *r;
 134     const char **c; /* Must be pointer to string (when type == etSTR)         */
 135                /* or null terminated list of enums (when type == etENUM) */
 136     bool *b;
 137     rvec *rv;
 138   } u;
 139   const char *desc;
 140 } t_pargs;
 141
 142 extern void get_pargs(int *argc,char *argv[],int nparg,t_pargs pa[],
 143                       bool bKeepArgs);
 144 /* Read a number of arguments from the command line.
 145  * For etINT, etREAL and etCHAR an extra argument is read (when present)
 146  * for etBOOL the boolean option is changed to the negate value
 147  * If !bKeepArgs, the command line arguments are removed from the command line
 148  */
 149
 150 extern bool is_hidden(t_pargs *pa);
 151 /* Return TRUE when the option is a secret one */
 152
 153 extern char *pa_val(t_pargs *pa,char *buf, int sz);
 154 /* Return the value of pa in the provided buffer buf, of size sz.
 155  * The return value is also a pointer to buf.
 156  */
 157
 158 extern int opt2parg_int(const char *option,int nparg,t_pargs pa[]);
 159
 160 extern bool opt2parg_bool(const char *option,int nparg,t_pargs pa[]);
 161
 162 extern real opt2parg_real(const char *option,int nparg,t_pargs pa[]);
 163
 164 extern const char *opt2parg_str(const char *option,int nparg,t_pargs pa[]);
 165
 166 extern const char *opt2parg_enum(const char *option,int nparg,t_pargs pa[]);
 167
 168 extern bool opt2parg_bSet(const char *option,int nparg,t_pargs pa[]);
 169
 170 extern void print_pargs(FILE *fp, int npargs,t_pargs pa[],bool bLeadingSpace);
 171
 172 extern char *pargs_print_line(t_pargs *pa,bool bLeadingSpace);
 173
 174 extern void pr_enums(FILE *fp, int npargs,t_pargs pa[],int shell);
 175
 176 #ifdef __cplusplus
 177 }
 178 #endif
 179
 180 #endif