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making ClusterNetworkGenerator require mappers param to match parent …
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…class
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atravitz committed Nov 15, 2024
1 parent 6e61290 commit ae0973b
Showing 1 changed file with 2 additions and 2 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -35,12 +35,12 @@
class ClusteredNetworkGenerator(NetworkGenerator):
def __init__(
self,
mappers: Union[AtomMapper, list[AtomMapper], None],
sub_network_planners: Iterable[NetworkGenerator] = (CyclicNetworkGenerator,),
concatenator: NetworkConcatenator = MstConcatenator,
clusterer: ComponentsDiversityClusterer = ComponentsDiversityClusterer(
featurize=RDKitFingerprintTransformer(), cluster=KMeans(n_clusters=3)
),
mappers: Union[AtomMapper, list[AtomMapper]] = None, # include None in this union?
scorer=None,
n_processes: int = 1,
progress: bool = False,
Expand All @@ -63,7 +63,7 @@ def __init__(
clusterer: ComponentsDiversityClusterer
Separates the `Component` s along the first dimension.
mappers: Union[AtomMapper, list[AtomMapper]]
Defines the connection between two ligands if `NetworkConcatenator`s or `NetworkGenerator`s are provided. Otherwise, (?) (default:None)
Defines the connection between two ligands if `NetworkConcatenator`s or `NetworkGenerator`s are provided.
scorer: AtomMappingScorer
scoring function evaluating an `AtomMapping`, and giving a score between [0,1], if only `NetworkConcatenator` or `NetworkGenerator` classes are passed
progress: bool, optional
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