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calculate_structural_pattern

Function calculate_structural_pattern 

Source
pub fn calculate_structural_pattern(
    cell: UnitCell,
    space_group: &SpaceGroup,
    input: &StructuralPatternInputView<'_>,
) -> Result<StructuralPatternResult, StructuralPatternError>
Expand description

Calculate built-in scattering, structural intensities, and one CW profile.

ยงErrors

Returns StructuralPatternError for invalid structural, scattering, correction, instrument, contribution, grid, or support inputs.