fairmd.lipids

Subfolders

• fairmd.lipids.analib
• fairmd.lipids.auxiliary
• fairmd.lipids.bin
• fairmd.lipids.ipylib
• fairmd.lipids.schema_validation

Python files

• fairmd.lipids.analyze module
• fairmd.lipids.api module
• fairmd.lipids.core module
• fairmd.lipids.databankio module
• fairmd.lipids.experiment module
• fairmd.lipids.molecules module
• fairmd.lipids.quality module
• fairmd.lipids.utils module

Module contents

FAIRMD Lipids project.

Here we define the main package variables and constants used throughout the FAIRMD Lipids project. This includes Package Information, Paths, and Return Codes.

fairmd.lipids.FMDL_DATA_PATH: str = '/home/runner/work/FAIRMD_lipids/FAIRMD_lipids/src/fairmd/lipids/data/ToyData'

Path to the Databank Data folder

fairmd.lipids.FMDL_EXP_PATH: str = '/home/runner/work/FAIRMD_lipids/FAIRMD_lipids/src/fairmd/lipids/data/ToyData/experiments'

Path to the project experiments folder

fairmd.lipids.FMDL_MAICOS_NCORES: int | None = None

Number of cores for parallel MAICoS trajectory centering. None (default): use all cores if joblib is installed, else sequential. Set to 1 to force sequential processing.

fairmd.lipids.FMDL_MOL_PATH: str = '/home/runner/work/FAIRMD_lipids/FAIRMD_lipids/src/fairmd/lipids/data/ToyData/Molecules'

Path to the project molecules folder

fairmd.lipids.FMDL_SIMU_PATH: str = '/home/runner/work/FAIRMD_lipids/FAIRMD_lipids/src/fairmd/lipids/data/ToyData/Simulations'

Path to the project simulations folder

fairmd.lipids.RCODE_COMPUTED: int = 1

calculation successful

Type:

Success code 1

fairmd.lipids.RCODE_ERROR: int = 2

calculation failed

Type:

Success code 2

fairmd.lipids.RCODE_SKIPPED: int = 0

calculation skipped

Type:

Success code 0