src/gromacs/legacyheaders/readinp.h

   1 /*
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  37
  38 #ifndef _readinp_h
  39 #define _readinp_h
  40
  41 #include <string.h>
  42
  43 #include "gromacs/legacyheaders/warninp.h"
  44 #include "gromacs/utility/basedefinitions.h"
  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 t_inpfile *read_inpfile(const char *fn, int *ninp,
  64                         warninp_t wi);
  65 /* Create & populate a t_inpfile struct from values in file fn.
  66    fn = the file name
  67    ninp = the number of read parameters
  68    cppopts = the cpp-style options for #include paths and #defines */
  69
  70 void write_inpfile(const char *fn, int ninp, t_inpfile inp[],
  71                    gmx_bool bHaltOnUnknown,
  72                    warninp_t wi);
  73
  74 void replace_inp_entry(int ninp, t_inpfile *inp,
  75                        const char *old_entry, const char *new_entry);
  76
  77 int search_einp(int ninp, const t_inpfile *inp, const char *name);
  78 /* Return the index of an .mdp field with the given name within the
  79  * inp array, if it exists. Return -1 if it does not exist. */
  80
  81 int get_eint(int *ninp, t_inpfile **inp, const char *name, int def,
  82              warninp_t wi);
  83
  84 gmx_int64_t get_eint64(int *ninp, t_inpfile **inp,
  85                        const char *name, gmx_int64_t def,
  86                        warninp_t);
  87
  88 double get_ereal(int *ninp, t_inpfile **inp, const char *name, double def,
  89                  warninp_t wi);
  90
  91 const char *get_estr(int *ninp, t_inpfile **inp, const char *name, const char *def);
  92
  93 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 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_eint64(&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 #ifdef __cplusplus
 118 }
 119 #endif
 120
 121 #endif