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
__init__()

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

PropertyPhase

Examples

To round-trip convert a phase enum: >>> phase = PropertyPhase.Liquid | PropertyPhase.Gas >>> phase_str = str(phase) >>> parsed_phase = PropertyPhase.from_string(phase_str)