/** * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose */ import { Representation, RepresentationContext, RepresentationParamsGetter } from '../../../mol-repr/representation'; import { ThemeRegistryContext } from '../../../mol-theme/theme'; import { Theme } from '../../../mol-theme/theme'; import { Mesh } from '../../../mol-geo/geometry/mesh/mesh'; import { Vec3 } from '../../../mol-math/linear-algebra'; import { LocationIterator } from '../../../mol-geo/util/location-iterator'; import { PickingId } from '../../../mol-geo/geometry/picking'; import { EmptyLoci, Loci } from '../../../mol-model/loci'; import { Interval } from '../../../mol-data/int'; import { ParamDefinition as PD } from '../../../mol-util/param-definition'; import { Structure, StructureElement } from '../../../mol-model/structure'; import { VisualContext } from '../../../mol-repr/visual'; import { createLinkCylinderMesh, LinkCylinderParams } from '../../../mol-repr/structure/visual/util/link'; import { ComplexMeshParams, ComplexVisual, ComplexMeshVisual } from '../../../mol-repr/structure/complex-visual'; import { VisualUpdateState } from '../../../mol-repr/util'; import { ComplexRepresentation, StructureRepresentation, StructureRepresentationStateBuilder, StructureRepresentationProvider } from '../../../mol-repr/structure/representation'; import { UnitKind, UnitKindOptions } from '../../../mol-repr/structure/visual/util/common'; import { CustomProperty } from '../../common/custom-property'; import { CrossLinkRestraintProvider, CrossLinkRestraint } from './property'; function createCrossLinkRestraintCylinderMesh(ctx: VisualContext, structure: Structure, theme: Theme, props: PD.Values, mesh?: Mesh) { const crossLinks = CrossLinkRestraintProvider.get(structure).value! if (!crossLinks.count) return Mesh.createEmpty(mesh) const { sizeFactor } = props const location = StructureElement.Location.create(structure) const builderProps = { linkCount: crossLinks.count, position: (posA: Vec3, posB: Vec3, edgeIndex: number) => { const b = crossLinks.pairs[edgeIndex] const uA = b.unitA, uB = b.unitB uA.conformation.position(uA.elements[b.indexA], posA) uB.conformation.position(uB.elements[b.indexB], posB) }, radius: (edgeIndex: number) => { const b = crossLinks.pairs[edgeIndex] location.unit = b.unitA location.element = b.unitA.elements[b.indexA] return theme.size.size(location) * sizeFactor }, } return createLinkCylinderMesh(ctx, builderProps, props, mesh) } export const CrossLinkRestraintCylinderParams = { ...ComplexMeshParams, ...LinkCylinderParams, sizeFactor: PD.Numeric(0.5, { min: 0, max: 10, step: 0.1 }), } export type CrossLinkRestraintCylinderParams = typeof CrossLinkRestraintCylinderParams export function CrossLinkRestraintVisual(materialId: number): ComplexVisual { return ComplexMeshVisual({ defaultProps: PD.getDefaultValues(CrossLinkRestraintCylinderParams), createGeometry: createCrossLinkRestraintCylinderMesh, createLocationIterator: createCrossLinkRestraintIterator, getLoci: getLinkLoci, eachLocation: eachCrossLink, setUpdateState: (state: VisualUpdateState, newProps: PD.Values, currentProps: PD.Values) => { state.createGeometry = ( newProps.sizeFactor !== currentProps.sizeFactor || newProps.radialSegments !== currentProps.radialSegments || newProps.linkCap !== currentProps.linkCap ) } }, materialId) } function createCrossLinkRestraintIterator(structure: Structure): LocationIterator { const crossLinkRestraints = CrossLinkRestraintProvider.get(structure).value! const { pairs } = crossLinkRestraints const groupCount = pairs.length const instanceCount = 1 const location = CrossLinkRestraint.Location(crossLinkRestraints, structure) const getLocation = (groupIndex: number) => { location.element = groupIndex return location } return LocationIterator(groupCount, instanceCount, getLocation, true) } function getLinkLoci(pickingId: PickingId, structure: Structure, id: number) { const { objectId, groupId } = pickingId if (id === objectId) { const crossLinkRestraints = CrossLinkRestraintProvider.get(structure).value! const pair = crossLinkRestraints.pairs[groupId] if (pair) { return CrossLinkRestraint.Loci(structure, crossLinkRestraints, [groupId]) } } return EmptyLoci } function eachCrossLink(loci: Loci, structure: Structure, apply: (interval: Interval) => boolean) { let changed = false if (CrossLinkRestraint.isLoci(loci)) { if (!Structure.areEquivalent(loci.data.structure, structure)) return false const crossLinkRestraints = CrossLinkRestraintProvider.get(structure).value! if (loci.data.crossLinkRestraints !== crossLinkRestraints) return false for (const e of loci.elements) { if (apply(Interval.ofSingleton(e))) changed = true } } return changed } // const CrossLinkRestraintVisuals = { 'cross-link-restraint': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => ComplexRepresentation('Cross-link restraint', ctx, getParams, CrossLinkRestraintVisual), } export const CrossLinkRestraintParams = { ...CrossLinkRestraintCylinderParams, unitKinds: PD.MultiSelect(['atomic', 'spheres'], UnitKindOptions), } export type CrossLinkRestraintParams = typeof CrossLinkRestraintParams export function getCrossLinkRestraintParams(ctx: ThemeRegistryContext, structure: Structure) { return PD.clone(CrossLinkRestraintParams) } export type CrossLinkRestraintRepresentation = StructureRepresentation export function CrossLinkRestraintRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter): CrossLinkRestraintRepresentation { return Representation.createMulti('CrossLinkRestraint', ctx, getParams, StructureRepresentationStateBuilder, CrossLinkRestraintVisuals as unknown as Representation.Def) } export const CrossLinkRestraintRepresentationProvider = StructureRepresentationProvider({ name: CrossLinkRestraint.Tag.CrossLinkRestraint, label: 'Cross Link Restraint', description: 'Displays cross-link restraints.', factory: CrossLinkRestraintRepresentation, getParams: getCrossLinkRestraintParams, defaultValues: PD.getDefaultValues(CrossLinkRestraintParams), defaultColorTheme: { name: CrossLinkRestraint.Tag.CrossLinkRestraint }, defaultSizeTheme: { name: 'uniform' }, isApplicable: (structure: Structure) => CrossLinkRestraint.isApplicable(structure), ensureCustomProperties: { attach: (ctx: CustomProperty.Context, structure: Structure) => CrossLinkRestraintProvider.attach(ctx, structure, void 0, true), detach: (_, data) => CrossLinkRestraintProvider.ref(data, false) } })