/** * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose */ import { ParamDefinition as PD } from '../../../mol-util/param-definition'; import { VisualContext } from '../../visual'; import { Unit, Structure } from '../../../mol-model/structure'; import { Theme } from '../../../mol-theme/theme'; import { Mesh } from '../../../mol-geo/geometry/mesh/mesh'; import { MeshBuilder } from '../../../mol-geo/geometry/mesh/mesh-builder'; import { createCurveSegmentState, PolymerTraceIterator, interpolateCurveSegment, interpolateSizes, PolymerLocationIterator, getPolymerElementLoci, eachPolymerElement, StandardTension, StandardShift, NucleicShift, OverhangFactor } from './util/polymer'; import { isNucleic } from '../../../mol-model/structure/model/types'; import { addTube } from '../../../mol-geo/geometry/mesh/builder/tube'; import { UnitsMeshParams, UnitsVisual, UnitsMeshVisual } from '../units-visual'; import { VisualUpdateState } from '../../util'; import { addSheet } from '../../../mol-geo/geometry/mesh/builder/sheet'; import { addRibbon } from '../../../mol-geo/geometry/mesh/builder/ribbon'; import { Vec3 } from '../../../mol-math/linear-algebra'; import { addSphere } from '../../../mol-geo/geometry/mesh/builder/sphere'; import { BaseGeometry } from '../../../mol-geo/geometry/base'; import { Sphere3D } from '../../../mol-math/geometry'; export const PolymerTubeMeshParams = { sizeFactor: PD.Numeric(0.2, { min: 0, max: 10, step: 0.01 }), detail: PD.Numeric(0, { min: 0, max: 3, step: 1 }, BaseGeometry.CustomQualityParamInfo), linearSegments: PD.Numeric(8, { min: 1, max: 48, step: 1 }, BaseGeometry.CustomQualityParamInfo), radialSegments: PD.Numeric(16, { min: 2, max: 56, step: 2 }, BaseGeometry.CustomQualityParamInfo), }; export const DefaultPolymerTubeMeshProps = PD.getDefaultValues(PolymerTubeMeshParams); export type PolymerTubeMeshProps = typeof DefaultPolymerTubeMeshProps const tmpV1 = Vec3(); function createPolymerTubeMesh(ctx: VisualContext, unit: Unit, structure: Structure, theme: Theme, props: PolymerTubeMeshProps, mesh?: Mesh) { const polymerElementCount = unit.polymerElements.length; if (!polymerElementCount) return Mesh.createEmpty(mesh); const { sizeFactor, detail, linearSegments, radialSegments } = props; const vertexCount = linearSegments * radialSegments * polymerElementCount + (radialSegments + 1) * polymerElementCount * 2; const builderState = MeshBuilder.createState(vertexCount, vertexCount / 10, mesh); const state = createCurveSegmentState(linearSegments); const { curvePoints, normalVectors, binormalVectors, widthValues, heightValues } = state; let i = 0; const polymerTraceIt = PolymerTraceIterator(unit, structure, { ignoreSecondaryStructure: true }); while (polymerTraceIt.hasNext) { const v = polymerTraceIt.move(); builderState.currentGroup = i; const isNucleicType = isNucleic(v.moleculeType); const shift = isNucleicType ? NucleicShift : StandardShift; interpolateCurveSegment(state, v, StandardTension, shift); const startCap = v.coarseBackboneFirst || v.first; const endCap = v.coarseBackboneLast || v.last; const s0 = theme.size.size(v.centerPrev) * sizeFactor; const s1 = theme.size.size(v.center) * sizeFactor; const s2 = theme.size.size(v.centerNext) * sizeFactor; interpolateSizes(state, s0, s1, s2, s0, s1, s2, shift); let segmentCount = linearSegments; if (v.initial) { segmentCount = Math.max(Math.round(linearSegments * shift), 1); const offset = linearSegments - segmentCount; curvePoints.copyWithin(0, offset * 3); binormalVectors.copyWithin(0, offset * 3); normalVectors.copyWithin(0, offset * 3); widthValues.copyWithin(0, offset * 3); heightValues.copyWithin(0, offset * 3); Vec3.fromArray(tmpV1, curvePoints, 3); Vec3.normalize(tmpV1, Vec3.sub(tmpV1, v.p2, tmpV1)); Vec3.scaleAndAdd(tmpV1, v.p2, tmpV1, s1 * OverhangFactor); Vec3.toArray(tmpV1, curvePoints, 0); } else if (v.final) { segmentCount = Math.max(Math.round(linearSegments * (1 - shift)), 1); Vec3.fromArray(tmpV1, curvePoints, segmentCount * 3 - 3); Vec3.normalize(tmpV1, Vec3.sub(tmpV1, v.p2, tmpV1)); Vec3.scaleAndAdd(tmpV1, v.p2, tmpV1, s1 * OverhangFactor); Vec3.toArray(tmpV1, curvePoints, segmentCount * 3); } if (v.initial === true && v.final === true) { addSphere(builderState, v.p2, s1 * 2, detail); } else if (radialSegments === 2) { addRibbon(builderState, curvePoints, normalVectors, binormalVectors, segmentCount, widthValues, heightValues, 0); } else if (radialSegments === 4) { addSheet(builderState, curvePoints, normalVectors, binormalVectors, segmentCount, widthValues, heightValues, 0, startCap, endCap); } else { addTube(builderState, curvePoints, normalVectors, binormalVectors, segmentCount, radialSegments, widthValues, heightValues, startCap, endCap, 'elliptical'); } ++i; } const m = MeshBuilder.getMesh(builderState); const sphere = Sphere3D.expand(Sphere3D(), unit.boundary.sphere, 1 * props.sizeFactor); m.setBoundingSphere(sphere); return m; } export const PolymerTubeParams = { ...UnitsMeshParams, ...PolymerTubeMeshParams }; export type PolymerTubeParams = typeof PolymerTubeParams export function PolymerTubeVisual(materialId: number): UnitsVisual { return UnitsMeshVisual({ defaultProps: PD.getDefaultValues(PolymerTubeParams), createGeometry: createPolymerTubeMesh, createLocationIterator: PolymerLocationIterator.fromGroup, getLoci: getPolymerElementLoci, eachLocation: eachPolymerElement, setUpdateState: (state: VisualUpdateState, newProps: PD.Values, currentProps: PD.Values) => { state.createGeometry = ( newProps.sizeFactor !== currentProps.sizeFactor || newProps.detail !== currentProps.detail || newProps.linearSegments !== currentProps.linearSegments || newProps.radialSegments !== currentProps.radialSegments ); } }, materialId); }