fairmd.idp

Subpackages

Python files

Module contents

For now we just need to declare this folder to be package. TODO: organize proper package structure

fairmd.idp.NMLDB_ROOT_PATH: str = '/home/runner/work/IDPdatabank/IDPdatabank'

Path to the project root

fairmd.idp.NMLDB_DATA_PATH: str = '/home/runner/work/IDPdatabank/IDPdatabank/Data'

Path to the project data folder

fairmd.idp.NMLDB_SIMU_PATH: str = '/home/runner/work/IDPdatabank/IDPdatabank/Data/Simulations'

Path to the project simulations folder

fairmd.idp.NMLDB_MOL_PATH: str = '/home/runner/work/IDPdatabank/IDPdatabank/Data/Molecules'

Path to the project molecules folder

fairmd.idp.NMLDB_EXP_PATH: str = '/home/runner/work/IDPdatabank/IDPdatabank/Data/Experiments'

Path to the project experiments folder

fairmd.idp.RCODE_SKIPPED: int = 0

calculation skipped

Type:

Success code 0

fairmd.idp.RCODE_COMPUTED: int = 1

calculation successful

Type:

Success code 1

fairmd.idp.RCODE_ERROR: int = 2

calculation failed

Type:

Success code 2