molprop.utils.mol_features.SingleMolFeature

class molprop.utils.mol_features.SingleMolFeature(name, rdkit_func, has_unknown_key=False, is_boolean=False, mapping_dict=None)

Bases: object

Defines function to get a single molecular feature.

Methods

__init__
add_single_mapping
calc_key
calc_value
get_dim
get_is_boolean
get_keys
get_mapping
get_name
get_rdkit_func
get_values
map
map_reverse
set_mapping
set_name
set_rdkit_func