/usr/include/gromacs/legacyheaders/readinp.h is in libgromacs-dev 5.1.2-1ubuntu1.
This file is owned by root:root, with mode 0o644.
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* This file is part of the GROMACS molecular simulation package.
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
* Copyright (c) 2013,2014, by the GROMACS development team, led by
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#ifndef _readinp_h
#define _readinp_h
#include <string.h>
#include "gromacs/legacyheaders/warninp.h"
#include "gromacs/utility/basedefinitions.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. */
t_inpfile *read_inpfile(const char *fn, int *ninp,
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 */
void write_inpfile(const char *fn, int ninp, t_inpfile inp[],
gmx_bool bHaltOnUnknown,
warninp_t wi);
void replace_inp_entry(int ninp, t_inpfile *inp,
const char *old_entry, const char *new_entry);
int search_einp(int ninp, const t_inpfile *inp, const char *name);
/* Return the index of an .mdp field with the given name within the
* inp array, if it exists. Return -1 if it does not exist. */
int get_eint(int *ninp, t_inpfile **inp, const char *name, int def,
warninp_t wi);
gmx_int64_t get_eint64(int *ninp, t_inpfile **inp,
const char *name, gmx_int64_t def,
warninp_t);
double get_ereal(int *ninp, t_inpfile **inp, const char *name, double def,
warninp_t wi);
const char *get_estr(int *ninp, t_inpfile **inp, const char *name, const char *def);
int get_eeenum(int *ninp, t_inpfile **inp, const char *name, const char **defs,
warninp_t wi);
/* defs must be NULL terminated */
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_eint64(&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 */
#ifdef __cplusplus
}
#endif
#endif
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