PropertyPhase
- class openff.evaluator.datasets.PropertyPhase(value)[source]
An enum describing the phase that a property was collected in.
Examples
Properties measured in multiple phases (e.g. enthalpies of vaporization) can be defined be concatenating PropertyPhase enums:
>>> gas_liquid_phase = PropertyPhase.Gas | PropertyPhase.Liquid
Methods
from_string
(enum_string)Parses a phase enum from its string representation.
Attributes
Undefined
Solid
Liquid
Gas
- classmethod from_string(enum_string)[source]
Parses a phase enum from its string representation.
- Parameters
enum_string (str) – The str representation of a PropertyPhase
- Returns
The created enum
- Return type
Examples
To round-trip convert a phase enum: >>> phase = PropertyPhase.Liquid | PropertyPhase.Gas >>> phase_str = str(phase) >>> parsed_phase = PropertyPhase.from_string(phase_str)