8e854007a8d5b03516b9df1ca381ab3194b84f16,qcengine/programs/rdkit.py,RDKitExecutor,found,#Any#,30

Before Change

    @staticmethod
    def found(raise_error: bool=False) -> bool:
        return which_import("rdkit", return_bool=True, raise_error=raise_error)

    def compute(self, input_data: "ResultInput", config: "JobConfig") -> "Result":
        
        Runs RDKit in FF typing

After Change

    @staticmethod
    def found(raise_error: bool=False) -> bool:
        is_found = which_import("rdkit", return_bool=True)

        if not is_found and raise_error:
            raise ModuleNotFoundError("Could not find "rdkit" in the Python path. Please "conda install rdkit -c conda-forge".")

        return is_found

Instances