mordred.Polarizability module¶

class mordred.Polarizability.APol(use78=False)[source]¶

Bases: mordred.Polarizability.PolarizabilityBase

atomic polarizability descriptor.

Parameters:	use78 (bool) – use old atomic polarizability data

as_argument¶

argument representation of descriptor

coord¶

get 3D coordinate

explicit_hydrogens = True¶

fail(exception)¶

raise known exception and return missing value

kekulize = False¶

mol¶

get molecule

parameters()¶

require_3D = False¶

require_connected = False¶

rethrow_na(exception)¶

treat any exceptions as known exception

rethrow_zerodiv()¶

treat zero div as known exception

rtype¶

alias of float

class mordred.Polarizability.BPol(use78=False)[source]¶

Bases: mordred.Polarizability.PolarizabilityBase

bond polarizability descriptor.

Parameters:	use78 (bool) – use old atomic polarizability data

as_argument¶

argument representation of descriptor

coord¶

get 3D coordinate

explicit_hydrogens = True¶

fail(exception)¶

raise known exception and return missing value

kekulize = False¶

mol¶

get molecule

parameters()¶

require_3D = False¶

require_connected = False¶

rethrow_na(exception)¶

treat any exceptions as known exception

rethrow_zerodiv()¶

treat zero div as known exception

rtype¶

alias of float