Breaking: return sum of Species with matching Element in Composition.__getitem__
#3427
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fixes MP2020Compatibility not applying anion correction when passing in ComputedEntry with oxidation states
…example for ComputedStructureEntry
janosh
added
fix
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Closes #3425.
Follow up to #3184 since that turns out to only have been a partial fix for not applying anion corrections to
ComputedEntrieswith oxidation states.The bug comes from
Compositionindexing behaving differently forElements/strvs.Species. Currently:This PR changes
comp["Li"]to return 2 instead, i.e. return all species with matching symbol, regardless of oxidation state. Currentlycomp["O"]returns 0 and so no oxide correction is applied.This is breaking. E.g. currently
which will change to return 0.