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49 int count; /* sort order for output */
50 gmx_bool bObsolete; /* whether it is an obsolete param value */
51 gmx_bool bSet; /* whether it it has been read out */
52 char *name; /* name of the parameter */
53 char *value; /* parameter value string */
54 int inp_count; /* number of einps read. Only valid for the first item
55 in the inpfile list. */
57 /* entry in input files (like .mdp files).
58 Initally read in with read_inpfile, then filled in with missing values
59 through get_eint, get_ereal, etc. */
61 t_inpfile *read_inpfile(const char *fn, int *ninp,
63 /* Create & populate a t_inpfile struct from values in file fn.
65 ninp = the number of read parameters
66 cppopts = the cpp-style options for #include paths and #defines */
68 void write_inpfile(const char *fn, int ninp, t_inpfile inp[],
69 gmx_bool bHaltOnUnknown,
72 void replace_inp_entry(int ninp, t_inpfile *inp,
73 const char *old_entry, const char *new_entry);
75 int search_einp(int ninp, const t_inpfile *inp, const char *name);
76 /* Return the index of an .mdp field with the given name within the
77 * inp array, if it exists. Return -1 if it does not exist. */
79 int get_eint(int *ninp, t_inpfile **inp, const char *name, int def,
82 gmx_int64_t get_eint64(int *ninp, t_inpfile **inp,
83 const char *name, gmx_int64_t def,
86 double get_ereal(int *ninp, t_inpfile **inp, const char *name, double def,
89 const char *get_estr(int *ninp, t_inpfile **inp, const char *name, const char *def);
91 int get_eeenum(int *ninp, t_inpfile **inp, const char *name, const char **defs,
93 /* defs must be NULL terminated */
95 int get_eenum(int *ninp, t_inpfile **inp, const char *name, const char **defs);
96 /* defs must be NULL terminated */
98 /* Here are some dirty macros to extract data from the inp structures.
99 * Most macros assume the variables ninp, inp and wi are present.
100 * Elements are removed from the list after reading.
102 #define REM_TYPE(name) replace_inp_entry(ninp, inp, name, NULL)
103 #define REPL_TYPE(old, new) replace_inp_entry(ninp, inp, old, new)
104 #define STYPE(name, var, def) if ((tmp = get_estr(&ninp, &inp, name, def)) != NULL) strcpy(var, tmp)
105 #define STYPENC(name, def) get_estr(&ninp, &inp, name, def)
106 #define ITYPE(name, var, def) var = get_eint(&ninp, &inp, name, def, wi)
107 #define STEPTYPE(name, var, def) var = get_eint64(&ninp, &inp, name, def, wi)
108 #define RTYPE(name, var, def) var = get_ereal(&ninp, &inp, name, def, wi)
109 #define ETYPE(name, var, defs) var = get_eenum(&ninp, &inp, name, defs)
110 #define EETYPE(name, var, defs) var = get_eeenum(&ninp, &inp, name, defs, wi)
111 #define CCTYPE(s) STYPENC("\n; " s, NULL)
112 #define CTYPE(s) STYPENC("; " s, NULL)
113 /* This last one prints a comment line where you can add some explanation */