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@@ -46,7 +46,7 @@ namespace Unit {
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export function create<K extends Kind>(id: number, invariantId: number, chainGroupId: number, traits: Traits, kind: Kind, model: Model, operator: SymmetryOperator, elements: StructureElement.Set, props?: K extends Kind.Atomic ? AtomicProperties : CoarseProperties): Unit {
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switch (kind) {
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- case Kind.Atomic: return new Atomic(id, invariantId, chainGroupId, traits, model, elements, SymmetryOperator.createMapping(operator, model.atomicConformation, void 0), props ?? AtomicProperties());
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+ case Kind.Atomic: return new Atomic(id, invariantId, chainGroupId, traits, model, elements, SymmetryOperator.createMappingZeroRadius(operator, model.atomicConformation), props ?? AtomicProperties());
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case Kind.Spheres: return createCoarse(id, invariantId, chainGroupId, traits, model, Kind.Spheres, elements, SymmetryOperator.createMapping(operator, model.coarseConformation.spheres, getSphereRadiusFunc(model)), props ?? CoarseProperties());
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case Kind.Gaussians: return createCoarse(id, invariantId, chainGroupId, traits, model, Kind.Gaussians, elements, SymmetryOperator.createMapping(operator, model.coarseConformation.gaussians, getGaussianRadiusFunc(model)), props ?? CoarseProperties());
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}
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@@ -247,7 +247,7 @@ namespace Unit {
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}
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const conformation = (this.model.atomicConformation !== model.atomicConformation || operator !== this.conformation.operator)
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- ? SymmetryOperator.createMapping(operator, model.atomicConformation)
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+ ? SymmetryOperator.createMappingZeroRadius(operator, model.atomicConformation)
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: this.conformation;
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return new Atomic(this.id, this.invariantId, this.chainGroupId, this.traits, model, this.elements, conformation, props);
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}
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@@ -408,7 +408,7 @@ namespace Unit {
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}
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const conformation = coarseConformation !== modelCoarseConformation
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- ? SymmetryOperator.createMapping(this.conformation.operator, modelCoarseConformation)
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+ ? SymmetryOperator.createMappingZeroRadius(this.conformation.operator, modelCoarseConformation)
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: this.conformation;
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return new Coarse(this.id, this.invariantId, this.chainGroupId, this.traits, model, this.kind, this.elements, conformation, props) as Unit.Spheres | Unit.Gaussians; // TODO get rid of casting
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}
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