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structure_difference

molframe_core::structure

Function structure_difference 

Source 
pub fn structure_difference(
    left: &Structure,
    right: &Structure,
    options: StructureDifferenceOptions,
) -> Result<StructureDifference, DifferenceError>
Expand description

Compares all normalised structure data with explicit coordinate tolerance.

ยงErrors

Returns DifferenceError::InvalidCoordinateTolerance when the tolerance is negative or not finite.