71e4705d27957dfea5c2156adc10d09af7a22e89,qcengine/procedures/base.py,,get_procedure,#Any#,26
Before Change
Returns a procedures executor class
return procedures[name.lower()]
def list_all_procedures() -> Set[str]:
After Change
name = name.lower()
if name not in procedures:
raise InputError(f"Procedure {name} is not registered to QCEngine.")
ret = procedures[name]
if not ret.found():
raise ResourceError(f"Procedure {name} is registered with QCEngine, but cannot be found.")
return ret
In pattern: SUPERPATTERN
Frequency: 3
Non-data size: 6
Instances
Project Name: MolSSI/QCEngine
Commit Name: 71e4705d27957dfea5c2156adc10d09af7a22e89
Time: 2019-05-20
Author: malorian@me.com
File Name: qcengine/procedures/base.py
Class Name:
Method Name: get_procedure
Project Name: MolSSI/QCEngine
Commit Name: df34480652b4a065228ed333f48b09aae4c43179
Time: 2019-05-20
Author: malorian@me.com
File Name: qcengine/programs/psi4.py
Class Name: Psi4Executor
Method Name: compute
Project Name: MolSSI/QCEngine
Commit Name: 9b1249ec521f1a1831ed2a97710b72b9f9b2cd67
Time: 2019-05-20
Author: malorian@me.com
File Name: qcengine/programs/__init__.py
Class Name:
Method Name: get_program