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)
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