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from joblib import Parallel , delayed
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from loguru import logger
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from rdkit import Chem
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- from rdkit .Chem import Mol as RDKitMol # pylint: disable=no-name-in-module
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+ from rdkit .Chem import Mol as RDKitMol
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from molpipeline .utils .multi_proc import check_available_cores
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@@ -33,7 +33,7 @@ class InvalidInstance(NamedTuple):
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Id of the element which could not be processed.
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message: str
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Message why the element could not be processed.
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- element_name: Optional[ str]
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+ element_name: str | None
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Optional name of the element which could not be processed.
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The name of the pipeline element is often more descriptive than the id.
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"""
@@ -68,7 +68,7 @@ def __init__(self, filter_element_id: str, message: str | None = None) -> None:
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----------
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filter_element_id: str
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FilterElement which removed the molecule.
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- message: Optional[ str]
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+ message: str | None, optional
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Optional message why the molecule was removed.
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Returns
@@ -106,11 +106,11 @@ def __init__(
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Parameters
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----------
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- name: Optional[ str], optional (default= None)
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+ name: str | None, optional
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Name of PipelineElement
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- n_jobs: int
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+ n_jobs: int, default=1
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Number of cores used for processing.
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- uuid: Optional[ str]
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+ uuid: str | None, optional
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Unique identifier of the PipelineElement.
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"""
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if name is None :
@@ -164,7 +164,7 @@ def get_params(self, deep: bool = True) -> dict[str, Any]:
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Parameters
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----------
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- deep: bool
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+ deep: bool, default=True
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If True get a deep copy of the parameters.
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Returns
@@ -349,11 +349,11 @@ def __init__(
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Parameters
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----------
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- name: Optional[ str], optional (default= None)
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+ name: str | None, optional
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Name of PipelineElement
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- n_jobs: int
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+ n_jobs: int, default=1
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Number of cores used for processing.
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- uuid: Optional[ str]
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+ uuid: str | None, optional
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Unique identifier of the PipelineElement.
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"""
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super ().__init__ (name = name , n_jobs = n_jobs , uuid = uuid )
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