e5fa5b3d6c77618aae53b450d549531942cadffa,qcengine/programs/adcc.py,AdccHarness,found,#Any#,40

Before Change


            If raise_error is False and adcc is missing, returns False.
            If raise_error is True and adcc is missing, the error message is raised.
        
        return which_import(
            "adcc",
            return_bool=True,
            raise_error=raise_error,
            raise_msg="Please install via `conda install adcc -c adcc`.",
        )

    def get_version(self) -> str:
        Return the currently used version of adcc
        self.found(raise_error=True)

After Change


            raise_error=raise_error,
            raise_msg="Please install via `conda install adcc -c adcc`.",
        )
        found_psi4 = which_import(
            "psi4",
            return_bool=True,
            raise_error=raise_error,
            raise_msg="Please install psi4 for adcc harness via `conda install psi4 -c psi4`.",
        )
        return found_adcc and found_psi4

    def get_version(self) -> str:
        Return the currently used version of adcc
        self.found(raise_error=True)
Italian Trulli
In pattern: SUPERPATTERN

Frequency: 3

Non-data size: 3

Instances


Project Name: MolSSI/QCEngine
Commit Name: e5fa5b3d6c77618aae53b450d549531942cadffa
Time: 2021-02-10
Author: max.scheurer@me.com
File Name: qcengine/programs/adcc.py
Class Name: AdccHarness
Method Name: found


Project Name: MolSSI/QCEngine
Commit Name: 38a2c28f9885e13e080cd04ec1b967a19c427d63
Time: 2019-05-16
Author: lori.burns@gmail.com
File Name: qcengine/programs/torchani.py
Class Name: TorchANIExecutor
Method Name: found


Project Name: MolSSI/QCEngine
Commit Name: 38a2c28f9885e13e080cd04ec1b967a19c427d63
Time: 2019-05-16
Author: lori.burns@gmail.com
File Name: qcengine/programs/rdkit.py
Class Name: RDKitExecutor
Method Name: found