Public Member Functions | |
CHARMMAtom (::IMP::Particle *p) | |
String | get_charmm_type () const |
void | set_charmm_type (String t) |
Static Public Member Functions | |
static CHARMMAtom | decorate_particle (::IMP::Particle *p) |
static StringKey | get_charmm_type_key () |
static bool | particle_is_instance (Particle *p) |
Return true if the particle is an instance of a CHARMMAtom. | |
static CHARMMAtom | setup_particle (Particle *p, String charmm_type) |
static CHARMMAtom IMP::atom::CHARMMAtom::setup_particle | ( | Particle * | p, | |
String | charmm_type | |||
) | [static] |
Create a decorator with the passed CHARMM type. The particle is assumed to already have all atom attributes.