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.
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  21  * scientific software is very special. Version control is crucial -
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  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   int inp_count; /* number of einps read. Only valid for the first item
  58                                           in the inpfile list. */
  59 } t_inpfile;
  60 /* entry in input files (like .mdp files).
  61  Initally read in with read_inpfile, then filled in with missing values
  62  through get_eint, get_ereal, etc. */
  63
  64
  65
  66 extern t_inpfile *read_inpfile(const char *fn,int *ninp,
  67                                char **cppopts,
  68                                warninp_t wi);
  69 /* Create & populate a t_inpfile struct from values in file fn.
  70    fn = the file name
  71    ninp = the number of read parameters
  72    cppopts = the cpp-style options for #include paths and #defines */
  73
  74 extern void write_inpfile(const char *fn,int ninp,t_inpfile inp[],
  75                           bool bHaltOnUnknown,
  76                           warninp_t wi);
  77
  78 extern void replace_inp_entry(int ninp,t_inpfile *inp,
  79                               const char *old_entry,const char *new_entry);
  80
  81 extern int get_eint(int *ninp,t_inpfile **inp,const char *name,int def,
  82                       warninp_t wi);
  83
  84 extern gmx_large_int_t get_egmx_large_int(int *ninp,t_inpfile **inp,
  85                                           const char *name,gmx_large_int_t def,
  86                                           warninp_t);
  87
  88 extern double get_ereal(int *ninp,t_inpfile **inp,const char *name,double def,
  89                         warninp_t wi);
  90
  91 extern const char *get_estr(int *ninp,t_inpfile **inp,const char *name,const char *def);
  92
  93 extern int get_eeenum(int *ninp,t_inpfile **inp,const char *name,const char **defs,
  94                       warninp_t wi);
  95 /* defs must be NULL terminated */
  96
  97 extern int get_eenum(int *ninp,t_inpfile **inp,const char *name,const char **defs);
  98 /* defs must be NULL terminated */
  99
 100 /* Here are some dirty macros to extract data from the inp structures.
 101  * Most macros assume the variables ninp, inp and wi are present.
 102  * Elements are removed from the list after reading.
 103  */
 104 #define REM_TYPE(name)       replace_inp_entry(ninp,inp,name,NULL)
 105 #define REPL_TYPE(old,new)   replace_inp_entry(ninp,inp,old,new)
 106 #define STYPE(name,var,def)  if ((tmp=get_estr(&ninp,&inp,name,def)) != NULL) strcpy(var,tmp)
 107 #define STYPENC(name,def) get_estr(&ninp,&inp,name,def)
 108 #define ITYPE(name,var,def)  var=get_eint(&ninp,&inp,name,def,wi)
 109 #define STEPTYPE(name,var,def)  var=get_egmx_large_int(&ninp,&inp,name,def,wi)
 110 #define RTYPE(name,var,def)  var=get_ereal(&ninp,&inp,name,def,wi)
 111 #define ETYPE(name,var,defs) var=get_eenum(&ninp,&inp,name,defs)
 112 #define EETYPE(name,var,defs) var=get_eeenum(&ninp,&inp,name,defs,wi)
 113 #define CCTYPE(s) STYPENC("\n; "s,NULL)
 114 #define CTYPE(s)  STYPENC("; "s,NULL)
 115 /* This last one prints a comment line where you can add some explanation */
 116
 117 /* This structure is used for parsing arguments off the comand line */
 118 enum {
 119   etINT, etGMX_LARGE_INT, etREAL, etTIME, etSTR,    etBOOL, etRVEC,   etENUM, etNR
 120 };
 121
 122 /* names to print in help info */
 123 static const char *argtp[etNR] = {
 124   "int", "step", "real", "time", "string", "bool", "vector", "enum"
 125 };
 126
 127 typedef struct {
 128   const char *option;
 129   bool bSet;
 130   int  type;
 131   union {
 132     void *v;   /* This is a nasty workaround, to be able to use initialized */
 133     int  *i;   /* arrays */
 134     gmx_large_int_t *is;
 135     real *r;
 136     const char **c; /* Must be pointer to string (when type == etSTR)         */
 137                /* or null terminated list of enums (when type == etENUM) */
 138     bool *b;
 139     rvec *rv;
 140   } u;
 141   const char *desc;
 142 } t_pargs;
 143
 144 extern void get_pargs(int *argc,char *argv[],int nparg,t_pargs pa[],
 145                       bool bKeepArgs);
 146 /* Read a number of arguments from the command line.
 147  * For etINT, etREAL and etCHAR an extra argument is read (when present)
 148  * for etBOOL the boolean option is changed to the negate value
 149  * If !bKeepArgs, the command line arguments are removed from the command line
 150  */
 151
 152 extern bool is_hidden(t_pargs *pa);
 153 /* Return TRUE when the option is a secret one */
 154
 155 extern char *pa_val(t_pargs *pa,char *buf, int sz);
 156 /* Return the value of pa in the provided buffer buf, of size sz.
 157  * The return value is also a pointer to buf.
 158  */
 159
 160 extern int opt2parg_int(const char *option,int nparg,t_pargs pa[]);
 161
 162 extern bool opt2parg_bool(const char *option,int nparg,t_pargs pa[]);
 163
 164 extern real opt2parg_real(const char *option,int nparg,t_pargs pa[]);
 165
 166 extern const char *opt2parg_str(const char *option,int nparg,t_pargs pa[]);
 167
 168 extern const char *opt2parg_enum(const char *option,int nparg,t_pargs pa[]);
 169
 170 extern bool opt2parg_bSet(const char *option,int nparg,t_pargs pa[]);
 171
 172 extern void print_pargs(FILE *fp, int npargs,t_pargs pa[],bool bLeadingSpace);
 173
 174 extern char *pargs_print_line(t_pargs *pa,bool bLeadingSpace);
 175
 176 extern void pr_enums(FILE *fp, int npargs,t_pargs pa[],int shell);
 177
 178 #ifdef __cplusplus
 179 }
 180 #endif
 181
 182 #endif