gromacs-dev 4.6.5-1build1 / usr / include / gromacs / readinp.h

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#ifndef _readinp_h
#define _readinp_h
#include "visibility.h"
#include "typedefs.h"
#include "warninp.h"


#ifdef __cplusplus
extern "C" {
#endif

typedef struct {
    int      count;     /* sort order for output  */
    gmx_bool bObsolete; /* whether it is an obsolete param value */
    gmx_bool bSet;      /* whether it it has been read out */
    char    *name;      /* name of the parameter */
    char    *value;     /* parameter value string */
    int      inp_count; /* number of einps read. Only valid for the first item
                                                 in the inpfile list. */
} t_inpfile;
/* entry in input files (like .mdp files).
   Initally read in with read_inpfile, then filled in with missing values
   through get_eint, get_ereal, etc. */



GMX_LIBGMX_EXPORT
t_inpfile *read_inpfile(const char *fn, int *ninp,
                        char **cppopts,
                        warninp_t wi);
/* Create & populate a t_inpfile struct from values in file fn.
   fn = the file name
   ninp = the number of read parameters
   cppopts = the cpp-style options for #include paths and #defines */

GMX_LIBGMX_EXPORT
void write_inpfile(const char *fn, int ninp, t_inpfile inp[],
                   gmx_bool bHaltOnUnknown,
                   warninp_t wi);

GMX_LIBGMX_EXPORT
void replace_inp_entry(int ninp, t_inpfile *inp,
                       const char *old_entry, const char *new_entry);

GMX_LIBGMX_EXPORT
int get_eint(int *ninp, t_inpfile **inp, const char *name, int def,
             warninp_t wi);

GMX_LIBGMX_EXPORT
gmx_large_int_t get_egmx_large_int(int *ninp, t_inpfile **inp,
                                   const char *name, gmx_large_int_t def,
                                   warninp_t);

GMX_LIBGMX_EXPORT
double get_ereal(int *ninp, t_inpfile **inp, const char *name, double def,
                 warninp_t wi);

GMX_LIBGMX_EXPORT
const char *get_estr(int *ninp, t_inpfile **inp, const char *name, const char *def);

GMX_LIBGMX_EXPORT
int get_eeenum(int *ninp, t_inpfile **inp, const char *name, const char **defs,
               warninp_t wi);
/* defs must be NULL terminated */

GMX_LIBGMX_EXPORT
int get_eenum(int *ninp, t_inpfile **inp, const char *name, const char **defs);
/* defs must be NULL terminated */

/* Here are some dirty macros to extract data from the inp structures.
 * Most macros assume the variables ninp, inp and wi are present.
 * Elements are removed from the list after reading.
 */
#define REM_TYPE(name)       replace_inp_entry(ninp, inp, name, NULL)
#define REPL_TYPE(old, new)   replace_inp_entry(ninp, inp, old, new)
#define STYPE(name, var, def)  if ((tmp = get_estr(&ninp, &inp, name, def)) != NULL) strcpy(var, tmp)
#define STYPENC(name, def) get_estr(&ninp, &inp, name, def)
#define ITYPE(name, var, def)  var    = get_eint(&ninp, &inp, name, def, wi)
#define STEPTYPE(name, var, def)  var = get_egmx_large_int(&ninp, &inp, name, def, wi)
#define RTYPE(name, var, def)  var    = get_ereal(&ninp, &inp, name, def, wi)
#define ETYPE(name, var, defs) var    = get_eenum(&ninp, &inp, name, defs)
#define EETYPE(name, var, defs) var   = get_eeenum(&ninp, &inp, name, defs, wi)
#define CCTYPE(s) STYPENC("\n; "s, NULL)
#define CTYPE(s)  STYPENC("; "s, NULL)
/* This last one prints a comment line where you can add some explanation */

/* This structure is used for parsing arguments off the comand line */
enum {
    etINT, etGMX_LARGE_INT, etREAL, etTIME, etSTR,    etBOOL, etRVEC,   etENUM, etNR
};

/* names to print in help info */
static const char *argtp[etNR] = {
    "int", "step", "real", "time", "string", "bool", "vector", "enum"
};

typedef struct {
    const char *option;
    gmx_bool    bSet;
    int         type;
    union {
        void            *v; /* This is a nasty workaround, to be able to use initialized */
        int             *i; /* arrays */
        gmx_large_int_t *is;
        real            *r;
        const char     **c; /* Must be pointer to string (when type == etSTR)         */
        /* or null terminated list of enums (when type == etENUM) */
        gmx_bool        *b;
        rvec            *rv;
    } u;
    const char *desc;
} t_pargs;

void get_pargs(int *argc, char *argv[], int nparg, t_pargs pa[],
               gmx_bool bKeepArgs);
/* Read a number of arguments from the command line.
 * For etINT, etREAL and etCHAR an extra argument is read (when present)
 * for etBOOL the gmx_boolean option is changed to the negate value
 * If !bKeepArgs, the command line arguments are removed from the command line
 */

gmx_bool is_hidden(t_pargs *pa);
/* Return TRUE when the option is a secret one */

char *pa_val(t_pargs *pa, char *buf, int sz);
/* Return the value of pa in the provided buffer buf, of size sz.
 * The return value is also a pointer to buf.
 */

int opt2parg_int(const char *option, int nparg, t_pargs pa[]);

gmx_bool opt2parg_gmx_bool(const char *option, int nparg, t_pargs pa[]);

GMX_LIBGMX_EXPORT
real opt2parg_real(const char *option, int nparg, t_pargs pa[]);

GMX_LIBGMX_EXPORT
const char *opt2parg_str(const char *option, int nparg, t_pargs pa[]);

const char *opt2parg_enum(const char *option, int nparg, t_pargs pa[]);

GMX_LIBGMX_EXPORT
gmx_bool opt2parg_bSet(const char *option, int nparg, t_pargs pa[]);

void print_pargs(FILE *fp, int npargs, t_pargs pa[], gmx_bool bLeadingSpace);

char *pargs_print_line(t_pargs *pa, gmx_bool bLeadingSpace);

void pr_enums(FILE *fp, int npargs, t_pargs pa[], int shell);

#ifdef __cplusplus
}
#endif

#endif