include/readinp.h

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  38
  39 #ifndef _readinp_h
  40 #define _readinp_h
  41 #include "visibility.h"
  42 #include "typedefs.h"
  43 #include "warninp.h"
  44
  45
  46 #ifdef __cplusplus
  47 extern "C" {
  48 #endif
  49
  50 typedef struct {
  51   int  count; /* sort order for output  */
  52   gmx_bool bObsolete; /* whether it is an obsolete param value */
  53   gmx_bool bSet; /* whether it it has been read out */
  54   char *name; /* name of the parameter */
  55   char *value; /* parameter value string */
  56   int inp_count; /* number of einps read. Only valid for the first item
  57                                           in the inpfile list. */
  58 } t_inpfile;
  59 /* entry in input files (like .mdp files).
  60  Initally read in with read_inpfile, then filled in with missing values
  61  through get_eint, get_ereal, etc. */
  62
  63
  64
  65 GMX_LIBGMX_EXPORT
  66 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 GMX_LIBGMX_EXPORT
  75 void write_inpfile(const char *fn,int ninp,t_inpfile inp[],
  76                           gmx_bool bHaltOnUnknown,
  77                           warninp_t wi);
  78
  79 GMX_LIBGMX_EXPORT
  80 void replace_inp_entry(int ninp,t_inpfile *inp,
  81                               const char *old_entry,const char *new_entry);
  82
  83 GMX_LIBGMX_EXPORT
  84 int get_eint(int *ninp,t_inpfile **inp,const char *name,int def,
  85                       warninp_t wi);
  86
  87 GMX_LIBGMX_EXPORT
  88 gmx_large_int_t get_egmx_large_int(int *ninp,t_inpfile **inp,
  89                                           const char *name,gmx_large_int_t def,
  90                                           warninp_t);
  91
  92 GMX_LIBGMX_EXPORT
  93 double get_ereal(int *ninp,t_inpfile **inp,const char *name,double def,
  94                         warninp_t wi);
  95
  96 GMX_LIBGMX_EXPORT
  97 const char *get_estr(int *ninp,t_inpfile **inp,const char *name,const char *def);
  98
  99 GMX_LIBGMX_EXPORT
 100 int get_eeenum(int *ninp,t_inpfile **inp,const char *name,const char **defs,
 101                       warninp_t wi);
 102 /* defs must be NULL terminated */
 103
 104 GMX_LIBGMX_EXPORT
 105 int get_eenum(int *ninp,t_inpfile **inp,const char *name,const char **defs);
 106 /* defs must be NULL terminated */
 107
 108 /* Here are some dirty macros to extract data from the inp structures.
 109  * Most macros assume the variables ninp, inp and wi are present.
 110  * Elements are removed from the list after reading.
 111  */
 112 #define REM_TYPE(name)       replace_inp_entry(ninp,inp,name,NULL)
 113 #define REPL_TYPE(old,new)   replace_inp_entry(ninp,inp,old,new)
 114 #define STYPE(name,var,def)  if ((tmp=get_estr(&ninp,&inp,name,def)) != NULL) strcpy(var,tmp)
 115 #define STYPENC(name,def) get_estr(&ninp,&inp,name,def)
 116 #define ITYPE(name,var,def)  var=get_eint(&ninp,&inp,name,def,wi)
 117 #define STEPTYPE(name,var,def)  var=get_egmx_large_int(&ninp,&inp,name,def,wi)
 118 #define RTYPE(name,var,def)  var=get_ereal(&ninp,&inp,name,def,wi)
 119 #define ETYPE(name,var,defs) var=get_eenum(&ninp,&inp,name,defs)
 120 #define EETYPE(name,var,defs) var=get_eeenum(&ninp,&inp,name,defs,wi)
 121 #define CCTYPE(s) STYPENC("\n; "s,NULL)
 122 #define CTYPE(s)  STYPENC("; "s,NULL)
 123 /* This last one prints a comment line where you can add some explanation */
 124
 125 /* This structure is used for parsing arguments off the comand line */
 126 enum {
 127   etINT, etGMX_LARGE_INT, etREAL, etTIME, etSTR,    etBOOL, etRVEC,   etENUM, etNR
 128 };
 129
 130 /* names to print in help info */
 131 static const char *argtp[etNR] = {
 132   "int", "step", "real", "time", "string", "bool", "vector", "enum"
 133 };
 134
 135 typedef struct {
 136   const char *option;
 137   gmx_bool bSet;
 138   int  type;
 139   union {
 140     void *v;   /* This is a nasty workaround, to be able to use initialized */
 141     int  *i;   /* arrays */
 142     gmx_large_int_t *is;
 143     real *r;
 144     const char **c; /* Must be pointer to string (when type == etSTR)         */
 145                /* or null terminated list of enums (when type == etENUM) */
 146     gmx_bool *b;
 147     rvec *rv;
 148   } u;
 149   const char *desc;
 150 } t_pargs;
 151
 152 void get_pargs(int *argc,char *argv[],int nparg,t_pargs pa[],
 153                       gmx_bool bKeepArgs);
 154 /* Read a number of arguments from the command line.
 155  * For etINT, etREAL and etCHAR an extra argument is read (when present)
 156  * for etBOOL the gmx_boolean option is changed to the negate value
 157  * If !bKeepArgs, the command line arguments are removed from the command line
 158  */
 159
 160 gmx_bool is_hidden(t_pargs *pa);
 161 /* Return TRUE when the option is a secret one */
 162
 163 char *pa_val(t_pargs *pa,char *buf, int sz);
 164 /* Return the value of pa in the provided buffer buf, of size sz.
 165  * The return value is also a pointer to buf.
 166  */
 167
 168 int opt2parg_int(const char *option,int nparg,t_pargs pa[]);
 169
 170 gmx_bool opt2parg_gmx_bool(const char *option,int nparg,t_pargs pa[]);
 171
 172 GMX_LIBGMX_EXPORT
 173 real opt2parg_real(const char *option,int nparg,t_pargs pa[]);
 174
 175 GMX_LIBGMX_EXPORT
 176 const char *opt2parg_str(const char *option,int nparg,t_pargs pa[]);
 177
 178 const char *opt2parg_enum(const char *option,int nparg,t_pargs pa[]);
 179
 180 GMX_LIBGMX_EXPORT
 181 gmx_bool opt2parg_bSet(const char *option,int nparg,t_pargs pa[]);
 182
 183 void print_pargs(FILE *fp, int npargs,t_pargs pa[],gmx_bool bLeadingSpace);
 184
 185 char *pargs_print_line(t_pargs *pa,gmx_bool bLeadingSpace);
 186
 187 void pr_enums(FILE *fp, int npargs,t_pargs pa[],int shell);
 188
 189 #ifdef __cplusplus
 190 }
 191 #endif
 192
 193 #endif