mordred.VdwVolumeABC module

class mordred.VdwVolumeABC.VdwVolumeABC[source]

Bases: mordred._base.descriptor.Descriptor

van der waals volume(ABC) descriptor.

Returns:NaN when any atoms are non-compat_atoms
References
compat_atoms = ('H', 'C', 'N', 'O', 'F', 'Cl', 'Br', 'P', 'S', 'As', 'B', 'Si', 'Se')
rtype

alias of float

explicit_hydrogens = True
kekulize = False
require_3D = False
require_connected = False