refactor: Reinvent AtomTypeMix into IsotopeMix - #2221
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Review in progress! Will try and get to the end after lunch.
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Follows #2219
This PR focuses on the
AtomTypeMixand associated classesAtomTypeDataandIsotopeDataand simplify / combining them into a single classIsotopeMixproviding all functionality.IsotopeMixstores a lot less data thanAtomTypeMixat the expense of having to calculate values when required, but since these values are not needed in hot loops IMO this is a reasonable compromise.I have tried to minimised impact in other classes, but
XRayWeightswarranted a partial refactor here. Also, the unit test associated toAtomTypeMixis removed as functionality ofIsotopeMixis well-covered in tests of theNeutronWeightsclass (the principal user ofIsotopeMix).