class EasyReflectometry.sample.elements.materials.material_solvated.MaterialSolvated

Bases: MaterialMixture

__init__(material, solvent, solvent_fraction, name=None, interface=None)

Constructor.

Parameters:

• material (Material) – The material being solvated.

• solvent (Material) – The solvent material.

• solvent_fraction (Parameter) – Fraction of solvent in layer. E.g. solvation or surface coverage.

• name – Name of the material, defaults to None that causes the name to be constructed.

• interface – Calculator interface, defaults to None.

classmethod default(interface=None)

A default instance for layer defined from molecule formula and area per molecule.

Parameters:

interface – Calculator interface, defaults to None.

Return type:

MaterialSolvated

classmethod from_pars(material, solvent, solvent_fraction, name='EasyMaterialSolvated', interface=None)

An instance for a layer described with the area per molecule, where the parameters are known.

Parameters:

• material (Material) – Material in the layer.

• solvent (Material) – Solvent in the layer.

• solvent_fraction (float) – Fraction of solvent in layer. Fx solvation or surface coverage.

• name (str) – Identifier, defaults to ‘EasyMaterialSolvated’.

• interface – Calculator interface, defaults to None.

Return type:

MaterialSolvated

property material: Material

Get material.

property solvent: Material

Get solvent.

user_data: dict

property solvent_fraction: Parameter

Get the fraction of layer described by the solvent. This might be fraction of: Solvation where solvent is within the layer Patches of solvent in the layer where no material is present.