mordred.AtomCount module¶
-
class
mordred.AtomCount.
AtomCount
(type='Atom')[source]¶ Bases:
mordred._base.descriptor.Descriptor
atom count descriptor.
- Parameters
type (str) –
type to count.
”Atom”
”HeavyAtom”
”Spiro”
”Bridgehead”
”Hetero”
”X” - all halogen
element symbol
-
since
= StrictVersion ('1.0')¶
-
explicit_hydrogens
¶ Require explicit_hydrogens when type is “H” or “Atom”.
-
rtype
¶ alias of
builtins.int
-
config
¶
-
classmethod
from_json
(obj)¶ Create Descriptor instance from json dict.
- Parameters
obj (dict) – descriptor dict
- Returns
descriptor
- Return type
-
get_3D_mol
()¶
-
get_parameter_dict
()¶
-
kekulize
= False¶
-
parameter_names
= ('type',)¶
-
require_3D
= False¶
-
require_connected
= False¶