orsopy.utils.density_resolver module

Specifies the abstract base class for resolving layer densities from formula strings.

class orsopy.utils.density_resolver.DensityResolver[source]

Bases: ABC

comment = None
abstract resolve_formula(formula)[source]

Resolves the density of a given chemical formula from the database. If not possible raises ValueError.

The returned value is the number density in 1/nm³.

Return type:

float

abstract resolve_elemental(formula)[source]

Estimates the density of a material from its individual elements by averaging the bulk element densities.

The returned value is the number density in 1/nm³.

Return type:

float