1.1.1.3.1.1.1.2. MolpherAtom¶

class molpher.swig_wrappers.core.MolpherAtom(*args)[source]¶

Bases: object

FULL_LOCK = 126¶

KEEP_BONDS = 64¶

KEEP_NEIGHBORS = 16¶

KEEP_NEIGHBORS_AND_BONDS = 32¶

NO_ADDITION = 4¶

NO_MUTATION = 2¶

NO_REMOVAL = 8¶

UNLOCKED = 0¶

atom_locks = <Swig Object of type 'std::vector< enum MolpherAtom::LockingMask,std::allocator< enum MolpherAtom::LockingMask > > *'>¶

getAtomicNum()[source]¶

getFormalCharge()[source]¶

getLockingMask()[source]¶

getMass()[source]¶

getSymbol()[source]¶

isLocked()[source]¶

static lockToString()¶

static lockingMaskToString()¶

setFormalCharge(charge)[source]¶

setLockingMask(mask)[source]¶