17.1.1.4. pysisyphus.db package

17.1.1.4.1. Submodules

17.1.1.4.2. pysisyphus.db.generate_db module

pysisyphus.db.generate_db.clean()[source]
pysisyphus.db.generate_db.generate_db()[source]
pysisyphus.db.generate_db.parse_args(args)[source]
pysisyphus.db.generate_db.run()[source]

17.1.1.4.3. pysisyphus.db.helpers module

pysisyphus.db.helpers.full_name(molecule_name, level_name)[source]
pysisyphus.db.helpers.get_molecules_levels()[source]
pysisyphus.db.helpers.get_path(molecule_name, level_name)[source]

17.1.1.4.4. pysisyphus.db.level module

17.1.1.4.5. pysisyphus.db.molecules module

class pysisyphus.db.molecules.Molecule(name, fn, charge, mult, density, resname)

Bases: tuple

charge

Alias for field number 2

density

Alias for field number 4

fn

Alias for field number 1

mult

Alias for field number 3

name

Alias for field number 0

resname

Alias for field number 5

17.1.1.4.6. Module contents