Removing Isotope Bad Habits #331
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…remove or add major isotopes by default they can still do this.
…ntation returned the number of elements with isotopes... makes more sense to return the actual number of isotopes.
…kay here. Not even sure if centre of 3D mass makes sense in the first place...
…ct masses don't get wiped. Could do that with a smaller example but leave the test data in place.
…ass or getTotalNaturalMass do the commonly correct thing.
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#330 Fixing some old bad habits...
Tempted to actually make the factory an enum... maybe in future. Anyways this fixes the InChI problem, cleans up the isotope factory code, "corrects" configure behaviour, updates SMILES as the
'strict' mode is no longer needed.