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

Italian Trulli
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