Index _ | A | B | C | D | E | F | G | I | J | M | N | P | R | S | T | U | V | W _ __init__() (openff.evaluator.attributes.Attribute method) (openff.evaluator.attributes.AttributeClass method) (openff.evaluator.attributes.PlaceholderValue method) (openff.evaluator.datasets.CalculationSource method) (openff.evaluator.datasets.MeasurementSource method) (openff.evaluator.datasets.PhysicalProperty method) (openff.evaluator.datasets.PhysicalPropertyDataSet method) (openff.evaluator.datasets.PropertyPhase method) (openff.evaluator.datasets.Source method) (openff.evaluator.datasets.thermoml.ThermoMLDataSet method) (openff.evaluator.substances.Amount method) (openff.evaluator.substances.Component method) (openff.evaluator.substances.ExactAmount method) (openff.evaluator.substances.MoleFraction method) (openff.evaluator.substances.Substance method) (openff.evaluator.thermodynamics.ThermodynamicState method) A add_component() (openff.evaluator.substances.Substance method) add_properties() (openff.evaluator.datasets.PhysicalPropertyDataSet method) (openff.evaluator.datasets.thermoml.ThermoMLDataSet method) Amount (class in openff.evaluator.substances) amounts (openff.evaluator.substances.Substance attribute) Attribute (class in openff.evaluator.attributes) AttributeClass (class in openff.evaluator.attributes) B beta (openff.evaluator.thermodynamics.ThermodynamicState property) C calculate_aqueous_ionic_mole_fraction() (openff.evaluator.substances.Substance static method) CalculationSource (class in openff.evaluator.datasets) Component (class in openff.evaluator.substances) Component.Role (class in openff.evaluator.substances) components (openff.evaluator.substances.Substance attribute) D default_unit() (openff.evaluator.datasets.PhysicalProperty class method) doi (openff.evaluator.datasets.MeasurementSource attribute) E EvaluatorException ExactAmount (class in openff.evaluator.substances) F fidelity (openff.evaluator.datasets.CalculationSource attribute) from_components() (openff.evaluator.substances.Substance class method) from_doi() (openff.evaluator.datasets.thermoml.ThermoMLDataSet class method) from_exception() (openff.evaluator.utils.exceptions.EvaluatorException class method) from_file() (openff.evaluator.datasets.thermoml.ThermoMLDataSet class method) from_json() (openff.evaluator.attributes.AttributeClass class method) (openff.evaluator.datasets.CalculationSource class method) (openff.evaluator.datasets.MeasurementSource class method) (openff.evaluator.datasets.PhysicalProperty class method) (openff.evaluator.datasets.PhysicalPropertyDataSet class method) (openff.evaluator.datasets.Source class method) (openff.evaluator.datasets.thermoml.ThermoMLDataSet class method) (openff.evaluator.substances.Amount class method) (openff.evaluator.substances.Component class method) (openff.evaluator.substances.ExactAmount class method) (openff.evaluator.substances.MoleFraction class method) (openff.evaluator.substances.Substance class method) (openff.evaluator.thermodynamics.ThermodynamicState class method) (openff.evaluator.utils.exceptions.EvaluatorException class method) from_pandas() (openff.evaluator.datasets.PhysicalPropertyDataSet class method) (openff.evaluator.datasets.thermoml.ThermoMLDataSet class method) from_string() (openff.evaluator.datasets.PropertyPhase class method) from_url() (openff.evaluator.datasets.thermoml.ThermoMLDataSet class method) from_xml() (openff.evaluator.datasets.thermoml.ThermoMLDataSet class method) G get_amounts() (openff.evaluator.substances.Substance method) get_attributes() (openff.evaluator.attributes.AttributeClass class method) (openff.evaluator.datasets.PhysicalProperty class method) (openff.evaluator.substances.Amount class method) (openff.evaluator.substances.Component class method) (openff.evaluator.substances.ExactAmount class method) (openff.evaluator.substances.MoleFraction class method) (openff.evaluator.substances.Substance class method) (openff.evaluator.thermodynamics.ThermodynamicState class method) get_molecules_per_component() (openff.evaluator.substances.Substance method) gradients (openff.evaluator.datasets.PhysicalProperty attribute) I id (openff.evaluator.datasets.PhysicalProperty attribute) identifier (openff.evaluator.substances.Amount property) (openff.evaluator.substances.Component property) (openff.evaluator.substances.ExactAmount property) (openff.evaluator.substances.MoleFraction property) (openff.evaluator.substances.Substance property) inverse_beta (openff.evaluator.thermodynamics.ThermodynamicState property) J json() (openff.evaluator.attributes.AttributeClass method) (openff.evaluator.datasets.CalculationSource method) (openff.evaluator.datasets.MeasurementSource method) (openff.evaluator.datasets.PhysicalProperty method) (openff.evaluator.datasets.PhysicalPropertyDataSet method) (openff.evaluator.datasets.Source method) (openff.evaluator.datasets.thermoml.ThermoMLDataSet method) (openff.evaluator.substances.Amount method) (openff.evaluator.substances.Component method) (openff.evaluator.substances.ExactAmount method) (openff.evaluator.substances.MoleFraction method) (openff.evaluator.substances.Substance method) (openff.evaluator.thermodynamics.ThermodynamicState method) (openff.evaluator.utils.exceptions.EvaluatorException method) M MeasurementSource (class in openff.evaluator.datasets) merge() (openff.evaluator.datasets.PhysicalPropertyDataSet method) (openff.evaluator.datasets.thermoml.ThermoMLDataSet method) metadata (openff.evaluator.datasets.PhysicalProperty attribute) MoleFraction (class in openff.evaluator.substances) N number_of_components (openff.evaluator.substances.Substance property) P parse_json() (openff.evaluator.attributes.AttributeClass class method) (openff.evaluator.datasets.CalculationSource class method) (openff.evaluator.datasets.MeasurementSource class method) (openff.evaluator.datasets.PhysicalProperty class method) (openff.evaluator.datasets.PhysicalPropertyDataSet class method) (openff.evaluator.datasets.Source class method) (openff.evaluator.datasets.thermoml.ThermoMLDataSet class method) (openff.evaluator.substances.Amount class method) (openff.evaluator.substances.Component class method) (openff.evaluator.substances.ExactAmount class method) (openff.evaluator.substances.MoleFraction class method) (openff.evaluator.substances.Substance class method) (openff.evaluator.thermodynamics.ThermodynamicState class method) (openff.evaluator.utils.exceptions.EvaluatorException class method) phase (openff.evaluator.datasets.PhysicalProperty attribute) PhysicalProperty (class in openff.evaluator.datasets) PhysicalPropertyDataSet (class in openff.evaluator.datasets) PlaceholderValue (class in openff.evaluator.attributes) pressure (openff.evaluator.thermodynamics.ThermodynamicState attribute) properties (openff.evaluator.datasets.PhysicalPropertyDataSet property) (openff.evaluator.datasets.thermoml.ThermoMLDataSet property) properties_by_substance() (openff.evaluator.datasets.PhysicalPropertyDataSet method) (openff.evaluator.datasets.thermoml.ThermoMLDataSet method) properties_by_type() (openff.evaluator.datasets.PhysicalPropertyDataSet method) (openff.evaluator.datasets.thermoml.ThermoMLDataSet method) property_types (openff.evaluator.datasets.PhysicalPropertyDataSet property) (openff.evaluator.datasets.thermoml.ThermoMLDataSet property) PropertyPhase (class in openff.evaluator.datasets) provenance (openff.evaluator.datasets.CalculationSource attribute) R reference (openff.evaluator.datasets.MeasurementSource attribute) register_default_plugins() (in module openff.evaluator.plugins) register_external_plugins() (in module openff.evaluator.plugins) register_thermoml_property() (in module openff.evaluator.datasets.thermoml) role (openff.evaluator.substances.Component attribute) S smiles (openff.evaluator.substances.Component attribute) Source (class in openff.evaluator.datasets) source (openff.evaluator.datasets.PhysicalProperty attribute) sources (openff.evaluator.datasets.PhysicalPropertyDataSet property) (openff.evaluator.datasets.thermoml.ThermoMLDataSet property) Substance (class in openff.evaluator.substances) substance (openff.evaluator.datasets.PhysicalProperty attribute) substances (openff.evaluator.datasets.PhysicalPropertyDataSet property) (openff.evaluator.datasets.thermoml.ThermoMLDataSet property) T temperature (openff.evaluator.thermodynamics.ThermodynamicState attribute) thermodynamic_state (openff.evaluator.datasets.PhysicalProperty attribute) ThermodynamicState (class in openff.evaluator.thermodynamics) thermoml_property() (in module openff.evaluator.datasets.thermoml) ThermoMLDataSet (class in openff.evaluator.datasets.thermoml) to_number_of_molecules() (openff.evaluator.substances.Amount method) (openff.evaluator.substances.ExactAmount method) (openff.evaluator.substances.MoleFraction method) to_pandas() (openff.evaluator.datasets.PhysicalPropertyDataSet method) (openff.evaluator.datasets.thermoml.ThermoMLDataSet method) U uncertainty (openff.evaluator.datasets.PhysicalProperty attribute) UNDEFINED (in module openff.evaluator.attributes) V validate() (openff.evaluator.attributes.AttributeClass method) (openff.evaluator.datasets.PhysicalProperty method) (openff.evaluator.datasets.PhysicalPropertyDataSet method) (openff.evaluator.datasets.thermoml.ThermoMLDataSet method) (openff.evaluator.substances.Amount method) (openff.evaluator.substances.Component method) (openff.evaluator.substances.ExactAmount method) (openff.evaluator.substances.MoleFraction method) (openff.evaluator.substances.Substance method) (openff.evaluator.thermodynamics.ThermodynamicState method) value (openff.evaluator.datasets.PhysicalProperty attribute) (openff.evaluator.substances.Amount attribute) (openff.evaluator.substances.ExactAmount attribute) (openff.evaluator.substances.MoleFraction attribute) W with_traceback() (openff.evaluator.utils.exceptions.EvaluatorException method)