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This PR is the first significant step towards removing the old
DissolveandCoreDataclasses, removing the storage ofAtomTypes inCoreData. It breaks a couple of things related to theAddForcefieldDialogbut the justification for doing so is that this is likely to be completely rewritten (most likely in a moreNode-y form) for Dissolve2.Blockers
(In order to fully remove
AtomTypes fromCoreData)PotentialSetstoresAtomTypepointers and needs to serialise them, so must be converted to use aDoubleKeyedMapof resolvablesAtomTypeVectorKeywordstoresAtomTypepointers and needs to serialise them, however is only used in a single place in the oldNeutronSQModule.EPSRModule::readPCofconverts names intoAtomTypes usingCoreData.ForcefieldSortFilterModel::filterAcceptsRowuses a temporaryDissolveandCoreDatato assign atom types and check for forcefield validity.DissolveModelexposesAtomTypes through itsAtomTypeModel, but this is no longer relevant as they are local toSpecies(same for master terms).AddForcefieldDialogModeluses temporaryDissolveandCoreDataextensively, including but not limited toAtomTypes. SinceAtomTypeand master term data are to be local to aSpecies, much of the existing checking is irrelevant.EPSRModuleTestaccesses the test object'sCoreDatato get the number of atom types which (currently) is both unnecessary and incorrect!AtomTypeModel(used in lots of places) usesCoreData::atomTypes_to check for unique naming when renaming an atom type.