fix: linter

GT4SD · May 23, 2024 · 3fffd9c · 3fffd9c
1 parent 5c90742
commit 3fffd9c
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Showing 3 changed files with 6 additions and 6 deletions.
diff --git a/src/gt4sd/algorithms/conditional_generation/regression_transformer/utils.py b/src/gt4sd/algorithms/conditional_generation/regression_transformer/utils.py
@@ -67,7 +67,7 @@ def filter_stubbed(
 
  seed = Chem.MolFromSmiles(target) # type: ignore
 
- seed_atoms = len(list(seed.GetAtoms()))
+ seed_atoms = len(list(seed.GetAtoms())) # type: ignore
  seed_bonds = seed.GetNumBonds() # type: ignore
 
  smis: List[str] = []
@@ -77,8 +77,8 @@ def filter_stubbed(
  continue
  try:
  mol = Chem.MolFromSmiles(smi) # type: ignore
- num_atoms = len(list(mol.GetAtoms()))
- num_bonds = mol.GetNumBonds()
+ num_atoms = len(list(mol.GetAtoms())) # type: ignore
+ num_bonds = mol.GetNumBonds() # type: ignore
 
  if num_atoms > (threshold * seed_atoms) and num_bonds > (
  threshold * seed_bonds

diff --git a/src/gt4sd/frameworks/gflownet/ml/models/mxmnet.py b/src/gt4sd/frameworks/gflownet/ml/models/mxmnet.py
@@ -873,8 +873,8 @@ def rdkit_conformation(mol, n=5, addHs=False):
  confs = AllChem.EmbedMultipleConfs(mol, numConfs=n, params=params)
  minc, aminc = 1000, 0
  for i in range(len(confs)):
- mp = AllChem.MMFFGetMoleculeProperties(mol, mmffVariant="MMFF94s")
- ff = AllChem.MMFFGetMoleculeForceField(mol, mp, confId=i)
+ mp = AllChem.MMFFGetMoleculeProperties(mol, mmffVariant="MMFF94s") # type: ignore
+ ff = AllChem.MMFFGetMoleculeForceField(mol, mp, confId=i) # type: ignore
  if ff is None:
  continue
  e = ff.CalcEnergy()

diff --git a/src/gt4sd/properties/scores/core.py b/src/gt4sd/properties/scores/core.py
@@ -326,7 +326,7 @@ def score(self, smiles: str) -> float:
  A score for the given SMILES
  """
  scoring_function = SMARTSScoringFunction(self.target_smile, self.inverse)
- return scoring_function.score_mol(Chem.MolFromSmiles(smiles))
+ return scoring_function.score_mol(Chem.MolFromSmiles(smiles)) # type: ignore
 
 
 class QEDScorer(TargetValueScorer):