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basf · Aug 21, 2024 · 1bc4fa1 · 1bc4fa1
1 parent 9baf781
commit 1bc4fa1
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Showing 3 changed files with 0 additions and 9 deletions.
diff --git a/molpipeline/any2mol/smiles2mol.py b/molpipeline/any2mol/smiles2mol.py
@@ -14,7 +14,6 @@
 class SmilesToMol(_StringToMolPipelineElement):
     """Transforms Smiles to RDKit Mol objects."""
 
-
     def pretransform_single(self, value: str) -> OptionalMol:
         """Transform Smiles string to molecule.
 

diff --git a/molpipeline/mol2any/mol2bool.py b/molpipeline/mol2any/mol2bool.py
@@ -11,7 +11,6 @@
 class MolToBool(MolToAnyPipelineElement):
     """Element to generate a bool array from input."""
 
-
     def pretransform_single(self, value: Any) -> bool:
         """Transform a value to a bool representation.
 

diff --git a/molpipeline/mol2mol/standardization.py b/molpipeline/mol2mol/standardization.py
@@ -162,7 +162,6 @@ def pretransform_single(self, value: RDKitMol) -> OptionalMol:
 class LargestFragmentChooser(_MolToMolPipelineElement):
     """MolToMolPipelineElement which returns the largest fragment of a molecule."""
 
-
     def pretransform_single(self, value: RDKitMol) -> OptionalMol:
         """Return largest fragment of molecule.
 
@@ -182,7 +181,6 @@ def pretransform_single(self, value: RDKitMol) -> OptionalMol:
 class MetalDisconnector(_MolToMolPipelineElement):
     """MolToMolPipelineElement which removes bonds between organic compounds and metals."""
 
-
     def pretransform_single(self, value: RDKitMol) -> OptionalMol:
         """Cleave bonds with metals.
 
@@ -206,7 +204,6 @@ def pretransform_single(self, value: RDKitMol) -> OptionalMol:
 class IsotopeRemover(_MolToMolPipelineElement):
     """MolToMolPipelineElement which removes isotope information of atoms in a molecule."""
 
-
     def pretransform_single(self, value: RDKitMol) -> OptionalMol:
         """Remove isotope information of each atom.
 
@@ -231,7 +228,6 @@ def pretransform_single(self, value: RDKitMol) -> OptionalMol:
 class ExplicitHydrogenRemover(_MolToMolPipelineElement):
     """MolToMolPipelineElement which removes explicit hydrogen atoms from a molecule."""
 
-
     def pretransform_single(self, value: RDKitMol) -> OptionalMol:
         """Remove explicit hydrogen atoms.
 
@@ -251,7 +247,6 @@ def pretransform_single(self, value: RDKitMol) -> OptionalMol:
 class StereoRemover(_MolToMolPipelineElement):
     """MolToMolPipelineElement which removes stereo-information from the molecule."""
 
-
     def pretransform_single(self, value: RDKitMol) -> OptionalMol:
         """Remove stereo-information in molecule.
 
@@ -273,7 +268,6 @@ def pretransform_single(self, value: RDKitMol) -> OptionalMol:
 class SaltRemover(_MolToMolPipelineElement):
     """MolToMolPipelineElement which removes metal ions from molecule."""
 
-
     def pretransform_single(self, value: RDKitMol) -> OptionalMol:
         """Remove metal ions.
 
@@ -459,7 +453,6 @@ def pretransform_single(self, value: RDKitMol) -> OptionalMol:
 class Uncharger(_MolToMolPipelineElement):
     """MolToMolPipelineElement which removes charges in a molecule, if possible."""
 
-
     def pretransform_single(self, value: RDKitMol) -> OptionalMol:
         """Remove charges of molecule.