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src/r/m/RMG-Py-HEAD/rmgpy/data/kinetics/rules.py RMG-Py(Download)
from rmgpy.molecule import Bond, GroupBond, Group from rmgpy.species import Species from .common import KineticsError, UndeterminableKineticsError, saveEntry, \ BIMOLECULAR_KINETICS_FAMILIES, UNIMOLECULAR_KINETICS_FAMILIES
if label in BIMOLECULAR_KINETICS_FAMILIES: Aunits = 'cm^3/(mol*s)' elif label in UNIMOLECULAR_KINETICS_FAMILIES: Aunits = 's^-1' else:
if label in BIMOLECULAR_KINETICS_FAMILIES: factor = 1.0e6 elif label in UNIMOLECULAR_KINETICS_FAMILIES: factor = 1.0 else:
src/r/m/RMG-Py-HEAD/rmgpy/data/kinetics/family.py RMG-Py(Download)
from rmgpy.species import Species from .common import KineticsError, UndeterminableKineticsError, saveEntry, \ UNIMOLECULAR_KINETICS_FAMILIES, BIMOLECULAR_KINETICS_FAMILIES from .depository import KineticsDepository
if self.label in BIMOLECULAR_KINETICS_FAMILIES: return 'm^3/(mol*s)' elif self.label in UNIMOLECULAR_KINETICS_FAMILIES: return 's^-1' else: