diff --git a/datamol/data/__init__.py b/datamol/data/__init__.py index b2e40418..990ab55a 100644 --- a/datamol/data/__init__.py +++ b/datamol/data/__init__.py @@ -66,18 +66,15 @@ def open_datamol_data_file( @overload -def freesolv(as_df: Literal[True] = True) -> pd.DataFrame: - ... +def freesolv(as_df: Literal[True] = True) -> pd.DataFrame: ... @overload -def freesolv(as_df: Literal[False] = False) -> List[Mol]: - ... +def freesolv(as_df: Literal[False] = False) -> List[Mol]: ... @overload -def freesolv(as_df: bool = True) -> Union[List[Mol], pd.DataFrame]: - ... +def freesolv(as_df: bool = True) -> Union[List[Mol], pd.DataFrame]: ... def freesolv(as_df: bool = True) -> Union[List[Mol], pd.DataFrame]: @@ -102,18 +99,17 @@ def freesolv(as_df: bool = True) -> Union[List[Mol], pd.DataFrame]: @overload -def cdk2(as_df: Literal[True] = True, mol_column: Optional[str] = "mol") -> pd.DataFrame: - ... +def cdk2(as_df: Literal[True] = True, mol_column: Optional[str] = "mol") -> pd.DataFrame: ... @overload -def cdk2(as_df: Literal[False] = False, mol_column: Optional[str] = "mol") -> List[Mol]: - ... +def cdk2(as_df: Literal[False] = False, mol_column: Optional[str] = "mol") -> List[Mol]: ... @overload -def cdk2(as_df: bool = True, mol_column: Optional[str] = "mol") -> Union[List[Mol], pd.DataFrame]: - ... +def cdk2( + as_df: bool = True, mol_column: Optional[str] = "mol" +) -> Union[List[Mol], pd.DataFrame]: ... def cdk2(as_df: bool = True, mol_column: Optional[str] = "mol"): @@ -130,20 +126,17 @@ def cdk2(as_df: bool = True, mol_column: Optional[str] = "mol"): @overload -def solubility(as_df: Literal[True] = True, mol_column: Optional[str] = "mol") -> pd.DataFrame: - ... +def solubility(as_df: Literal[True] = True, mol_column: Optional[str] = "mol") -> pd.DataFrame: ... @overload -def solubility(as_df: Literal[False] = False, mol_column: Optional[str] = "mol") -> List[Mol]: - ... +def solubility(as_df: Literal[False] = False, mol_column: Optional[str] = "mol") -> List[Mol]: ... @overload def solubility( as_df: bool = True, mol_column: Optional[str] = "mol" -) -> Union[List[Mol], pd.DataFrame]: - ... +) -> Union[List[Mol], pd.DataFrame]: ... def solubility(as_df: bool = True, mol_column: Optional[str] = "mol"): @@ -184,13 +177,11 @@ def solubility(as_df: bool = True, mol_column: Optional[str] = "mol"): @overload -def chembl_drugs(as_df: Literal[True] = True) -> pd.DataFrame: - ... +def chembl_drugs(as_df: Literal[True] = True) -> pd.DataFrame: ... @overload -def chembl_drugs(as_df: Literal[False] = False) -> List[Mol]: - ... +def chembl_drugs(as_df: Literal[False] = False) -> List[Mol]: ... def chembl_drugs(as_df: bool = True) -> Union[List[Mol], pd.DataFrame]: @@ -210,13 +201,11 @@ def chembl_drugs(as_df: bool = True) -> Union[List[Mol], pd.DataFrame]: @overload -def chembl_samples(as_df: Literal[True] = True) -> pd.DataFrame: - ... +def chembl_samples(as_df: Literal[True] = True) -> pd.DataFrame: ... @overload -def chembl_samples(as_df: Literal[False] = False) -> List[Mol]: - ... +def chembl_samples(as_df: Literal[False] = False) -> List[Mol]: ... def chembl_samples(as_df: bool = True) -> Union[List[Mol], pd.DataFrame]: diff --git a/datamol/io.py b/datamol/io.py index d5b1d0a8..5e27ae03 100644 --- a/datamol/io.py +++ b/datamol/io.py @@ -116,8 +116,7 @@ def read_sdf( max_num_mols: Optional[int] = ..., discard_invalid: bool = ..., n_jobs: Optional[int] = ..., -) -> List[Mol]: - ... +) -> List[Mol]: ... @overload @@ -134,8 +133,7 @@ def read_sdf( max_num_mols: Optional[int] = ..., discard_invalid: bool = ..., n_jobs: Optional[int] = ..., -) -> pd.DataFrame: - ... +) -> pd.DataFrame: ... @overload @@ -152,8 +150,7 @@ def read_sdf( max_num_mols: Optional[int] = ..., discard_invalid: bool = ..., n_jobs: Optional[int] = ..., -) -> Union[List[Mol], pd.DataFrame]: - ... +) -> Union[List[Mol], pd.DataFrame]: ... def read_sdf(