diff --git a/src/mol-math/geometry/symmetry-operator.ts b/src/mol-math/geometry/symmetry-operator.ts index cbc2a5eda01f3d26d0f059e3e496d6743f8a4de9..0150e396e499a838944b2841b605478095f94362 100644 --- a/src/mol-math/geometry/symmetry-operator.ts +++ b/src/mol-math/geometry/symmetry-operator.ts @@ -177,11 +177,15 @@ namespace SymmetryOperator { export interface Coordinates { x: ArrayLike<number>, y: ArrayLike<number>, z: ArrayLike<number> } - export function createMapping<T extends number>(operator: SymmetryOperator, coords: Coordinates, radius?: ((index: T) => number)): ArrayMapping<T> { - const invariantPosition = SymmetryOperator.createCoordinateMapper(SymmetryOperator.Default, coords); - const position = operator.isIdentity ? invariantPosition : SymmetryOperator.createCoordinateMapper(operator, coords); + export function createMapping<T extends number>(operator: SymmetryOperator, coords: Coordinates, radius: ((index: T) => number)): ArrayMapping<T> { + const invariantPosition = createCoordinateMapper(SymmetryOperator.Default, coords); + const position = operator.isIdentity ? invariantPosition : createCoordinateMapper(operator, coords); const { x, y, z } = createProjections(operator, coords); - return { operator, coordinates: coords, invariantPosition, position, x, y, z, r: radius ? radius : _zeroRadius }; + return { operator, coordinates: coords, invariantPosition, position, x, y, z, r: radius }; + } + + export function createMappingZeroRadius<T extends number>(operator: SymmetryOperator, coords: Coordinates): ArrayMapping<T> { + return createMapping(operator, coords, _zeroRadius); } export function createCoordinateMapper<T extends number>(t: SymmetryOperator, coords: Coordinates): CoordinateMapper<T> { diff --git a/src/mol-model/structure/structure/unit.ts b/src/mol-model/structure/structure/unit.ts index b6c8fc172ce33c6e4c4fec473c3788d661dbb7f5..b879ed05ef1ba70f3cd6ea802531dda5507c4f3c 100644 --- a/src/mol-model/structure/structure/unit.ts +++ b/src/mol-model/structure/structure/unit.ts @@ -46,7 +46,7 @@ namespace Unit { 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 { switch (kind) { - case Kind.Atomic: return new Atomic(id, invariantId, chainGroupId, traits, model, elements, SymmetryOperator.createMapping(operator, model.atomicConformation, void 0), props ?? AtomicProperties()); + case Kind.Atomic: return new Atomic(id, invariantId, chainGroupId, traits, model, elements, SymmetryOperator.createMappingZeroRadius(operator, model.atomicConformation), props ?? AtomicProperties()); case Kind.Spheres: return createCoarse(id, invariantId, chainGroupId, traits, model, Kind.Spheres, elements, SymmetryOperator.createMapping(operator, model.coarseConformation.spheres, getSphereRadiusFunc(model)), props ?? CoarseProperties()); case Kind.Gaussians: return createCoarse(id, invariantId, chainGroupId, traits, model, Kind.Gaussians, elements, SymmetryOperator.createMapping(operator, model.coarseConformation.gaussians, getGaussianRadiusFunc(model)), props ?? CoarseProperties()); } @@ -247,7 +247,7 @@ namespace Unit { } const conformation = (this.model.atomicConformation !== model.atomicConformation || operator !== this.conformation.operator) - ? SymmetryOperator.createMapping(operator, model.atomicConformation) + ? SymmetryOperator.createMappingZeroRadius(operator, model.atomicConformation) : this.conformation; return new Atomic(this.id, this.invariantId, this.chainGroupId, this.traits, model, this.elements, conformation, props); } @@ -408,7 +408,7 @@ namespace Unit { } const conformation = coarseConformation !== modelCoarseConformation - ? SymmetryOperator.createMapping(this.conformation.operator, modelCoarseConformation) + ? SymmetryOperator.createMappingZeroRadius(this.conformation.operator, modelCoarseConformation) : this.conformation; 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 }