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 2.0
  11  *
  12  * Copyright (c) 1991-1999
  13  * BIOSON Research Institute, Dept. of Biophysical Chemistry
  14  * University of Groningen, The Netherlands
  15  *
  16  * Please refer to:
  17  * GROMACS: A message-passing parallel molecular dynamics implementation
  18  * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
  19  * Comp. Phys. Comm. 91, 43-56 (1995)
  20  *
  21  * Also check out our WWW page:
  22  * http://md.chem.rug.nl/~gmx
  23  * or e-mail to:
  24  * gromacs@chem.rug.nl
  25  *
  26  * And Hey:
  27  * Green Red Orange Magenta Azure Cyan Skyblue
  28  */
  29
  30 #ifndef _readinp_h
  31 #define _readinp_h
  32
  33 static char *SRCID_readinp_h = "$Id$";
  34
  35 #include "typedefs.h"
  36
  37 typedef struct {
  38   int  count;
  39   bool bSet;
  40   char *name;
  41   char *value;
  42 } t_inpfile;
  43
  44 extern t_inpfile *read_inpfile(char *fn,int *ninp);
  45
  46 extern void write_inpfile(char *fn,int ninp,t_inpfile inp[]);
  47
  48 extern int get_eint(int *ninp,t_inpfile **inp,char *name,int def);
  49
  50 extern real get_ereal(int *ninp,t_inpfile **inp,char *name,real def);
  51
  52 extern char *get_estr(int *ninp,t_inpfile **inp,char *name,char *def);
  53
  54 extern int get_eeenum(int *ninp,t_inpfile **inp,char *name,char **defs,
  55                       int *nerror,bool bPrintError);
  56 /* defs must be NULL terminated,
  57  * Add errors to nerror
  58  * When bPrintError=TRUE and invalid enum: print "ERROR: ..."
  59  */
  60
  61 extern int get_eenum(int *ninp,t_inpfile **inp,char *name,char **defs);
  62 /* defs must be NULL terminated */
  63
  64 /* Here are some macros to extract data from the inp structures.
  65  * Elements that are  removed  from the list after reading
  66  */
  67 #define STYPE(name,var,def)  if ((tmp=get_estr(&ninp,&inp,name,def)) != NULL) strcpy(var,tmp)
  68 #define ITYPE(name,var,def)  var=get_eint(&ninp,&inp,name,def)
  69 #define RTYPE(name,var,def)  var=get_ereal(&ninp,&inp,name,def)
  70 #define ETYPE(name,var,defs) var=get_eenum(&ninp,&inp,name,defs)
  71 #define EETYPE(name,var,defs,nerr,bErr) var=get_eeenum(&ninp,&inp,name,defs,nerr,bErr)
  72 #define CCTYPE(s) STYPE("\n; "s,dummy,NULL)
  73 #define CTYPE(s)  STYPE("; "s,dummy,NULL)
  74 /* This last one prints a comment line where you can add some explanation */
  75
  76 /* This structure is used for parsing arguments off the comand line */
  77 enum { etINT, etREAL, etSTR, etBOOL, etRVEC, etENUM, etNR };
  78 /* names to print in help info */
  79 static char *argtp[etNR] = { "int", "real", "string", "bool", "vector", "enum" };
  80
  81 typedef struct {
  82   char *option;
  83   bool bSet;
  84   int  type;
  85   union {
  86     void *v;   /* This is a nasty workaround, to be able to use initialized */
  87     int  *i;   /* arrays */
  88     real *r;
  89     char **c;  /* Must be pointer to string (when type == etSTR)         */
  90                /* or null terminated list of enums (when type == etENUM) */
  91     bool *b;
  92     rvec *rv;
  93   } u;
  94   char *desc;
  95 } t_pargs;
  96
  97 extern void get_pargs(int *argc,char *argv[],int nparg,t_pargs pa[],
  98                       bool bKeepArgs);
  99 /* Read a number of arguments from the command line.
 100  * For etINT, etREAL and etCHAR an extra argument is read (when present)
 101  * for etBOOL the boolean option is changed to the negate value
 102  * If !bKeepArgs, the command line arguments are removed from the command line
 103  */
 104
 105 extern bool is_hidden(t_pargs *pa);
 106 /* Return TRUE when the option is a secret one */
 107
 108 extern char *pa_val(t_pargs *pa);
 109 /* Return a pointer to a static buffer containing the value of pa */
 110
 111 extern int opt2parg_int(char *option,int nparg,t_pargs pa[]);
 112
 113 extern bool opt2parg_bool(char *option,int nparg,t_pargs pa[]);
 114
 115 extern real opt2parg_real(char *option,int nparg,t_pargs pa[]);
 116
 117 extern char *opt2parg_str(char *option,int nparg,t_pargs pa[]);
 118
 119 extern char *opt2parg_enum(char *option,int nparg,t_pargs pa[]);
 120
 121 extern bool opt2parg_bSet(char *option,int nparg,t_pargs pa[]);
 122
 123 extern void print_pargs(FILE *fp, int npargs,t_pargs pa[]);
 124
 125 extern void pr_enums(FILE *fp, int npargs,t_pargs pa[]);
 126
 127 #endif