gmx_bool is_int(double x);
/* Returns TRUE when x is integer */
+/* Must correspond to strings in topdirs.c */
typedef enum {
d_defaults,
d_atomtypes,
d_none
} directive;
-static const char *ds[d_maxdir+1] = {
- "defaults",
- "atomtypes",
- "bondtypes",
- "constrainttypes",
- "pairtypes",
- "angletypes",
- "dihedraltypes",
- "nonbond_params",
- "implicit_genborn_params",
- "implicit_surface_params",
- "cmaptypes",
- /* All the directives above can not appear after moleculetype */
- "moleculetype",
- "atoms",
- "virtual_sites2",
- "virtual_sites3",
- "virtual_sites4",
- "virtual_sitesn",
- "bonds",
- "exclusions",
- "pairs",
- "pairs_nb",
- "angles",
- "dihedrals",
- "constraints",
- "settles",
- "polarization",
- "water_polarization",
- "thole_polarization",
- "system",
- "molecules",
- "position_restraints",
- "angle_restraints",
- "angle_restraints_z",
- "distance_restraints",
- "orientation_restraints",
- "dihedral_restraints",
- "cmap",
- "invalid"
-};
-
#ifdef __cplusplus
}
#endif