/** * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose */ import { Vec3 } from '../../../../mol-math/linear-algebra'; import { ParamDefinition as PD } from '../../../../mol-util/param-definition'; import { Mesh } from '../../../../mol-geo/geometry/mesh/mesh'; import { MeshBuilder } from '../../../../mol-geo/geometry/mesh/mesh-builder'; import { CylinderProps } from '../../../../mol-geo/primitive/cylinder'; import { addFixedCountDashedCylinder, addCylinder, addDoubleCylinder } from '../../../../mol-geo/geometry/mesh/builder/cylinder'; import { VisualContext } from '../../../visual'; import { BaseGeometry } from '../../../../mol-geo/geometry/base'; import { Lines } from '../../../../mol-geo/geometry/lines/lines'; import { LinesBuilder } from '../../../../mol-geo/geometry/lines/lines-builder'; import { Cylinders } from '../../../../mol-geo/geometry/cylinders/cylinders'; import { CylindersBuilder } from '../../../../mol-geo/geometry/cylinders/cylinders-builder'; export const LinkCylinderParams = { linkScale: PD.Numeric(0.45, { min: 0, max: 1, step: 0.01 }), linkSpacing: PD.Numeric(1, { min: 0, max: 2, step: 0.01 }), linkCap: PD.Boolean(false), dashCount: PD.Numeric(4, { min: 2, max: 10, step: 2 }), dashScale: PD.Numeric(0.8, { min: 0, max: 2, step: 0.1 }), dashCap: PD.Boolean(true), stubCap: PD.Boolean(true), radialSegments: PD.Numeric(16, { min: 2, max: 56, step: 2 }, BaseGeometry.CustomQualityParamInfo), }; export const DefaultLinkCylinderProps = PD.getDefaultValues(LinkCylinderParams); export type LinkCylinderProps = typeof DefaultLinkCylinderProps export const LinkLineParams = { linkScale: PD.Numeric(0.5, { min: 0, max: 1, step: 0.1 }), linkSpacing: PD.Numeric(0.1, { min: 0, max: 2, step: 0.01 }), dashCount: PD.Numeric(4, { min: 2, max: 10, step: 2 }), }; export const DefaultLinkLineProps = PD.getDefaultValues(LinkLineParams); export type LinkLineProps = typeof DefaultLinkLineProps const tmpV12 = Vec3(); const tmpShiftV12 = Vec3(); const tmpShiftV13 = Vec3(); const up = Vec3.create(0, 1, 0); /** Calculate 'shift' direction that is perpendiculat to v1 - v2 and goes through v3 */ export function calculateShiftDir (out: Vec3, v1: Vec3, v2: Vec3, v3: Vec3 | null) { Vec3.normalize(tmpShiftV12, Vec3.sub(tmpShiftV12, v1, v2)); if (v3 !== null) { Vec3.sub(tmpShiftV13, v1, v3); } else { Vec3.copy(tmpShiftV13, v1); // no reference point, use v1 } Vec3.normalize(tmpShiftV13, tmpShiftV13); // ensure v13 and v12 are not colinear let dp = Vec3.dot(tmpShiftV12, tmpShiftV13); if (1 - Math.abs(dp) < 1e-5) { Vec3.set(tmpShiftV13, 1, 0, 0); dp = Vec3.dot(tmpShiftV12, tmpShiftV13); if (1 - Math.abs(dp) < 1e-5) { Vec3.set(tmpShiftV13, 0, 1, 0); dp = Vec3.dot(tmpShiftV12, tmpShiftV13); } } Vec3.setMagnitude(tmpShiftV12, tmpShiftV12, dp); Vec3.sub(tmpShiftV13, tmpShiftV13, tmpShiftV12); return Vec3.normalize(out, tmpShiftV13); } export interface LinkBuilderProps { linkCount: number position: (posA: Vec3, posB: Vec3, edgeIndex: number) => void radius: (edgeIndex: number) => number, referencePosition?: (edgeIndex: number) => Vec3 | null style?: (edgeIndex: number) => LinkStyle ignore?: (edgeIndex: number) => boolean stub?: (edgeIndex: number) => boolean } export const enum LinkStyle { Solid = 0, Dashed = 1, Double = 2, Triple = 3, Disk = 4, Aromatic = 5, MirroredAromatic = 6, } // avoiding namespace lookup improved performance in Chrome (Aug 2020) const v3scale = Vec3.scale; const v3add = Vec3.add; const v3sub = Vec3.sub; const v3setMagnitude = Vec3.setMagnitude; const v3dot = Vec3.dot; /** * Each edge is included twice to allow for coloring/picking * the half closer to the first vertex, i.e. vertex a. */ export function createLinkCylinderMesh(ctx: VisualContext, linkBuilder: LinkBuilderProps, props: LinkCylinderProps, mesh?: Mesh) { const { linkCount, referencePosition, position, style, radius, ignore, stub } = linkBuilder; if (!linkCount) return Mesh.createEmpty(mesh); const { linkScale, linkSpacing, radialSegments, linkCap, dashCount, dashScale, dashCap, stubCap } = props; const vertexCountEstimate = radialSegments * 2 * linkCount * 2; const builderState = MeshBuilder.createState(vertexCountEstimate, vertexCountEstimate / 4, mesh); const va = Vec3(); const vb = Vec3(); const vShift = Vec3(); const cylinderProps: CylinderProps = { radiusTop: 1, radiusBottom: 1, radialSegments, topCap: linkCap, bottomCap: linkCap }; const segmentCount = dashCount + 1; for (let edgeIndex = 0, _eI = linkCount; edgeIndex < _eI; ++edgeIndex) { if (ignore && ignore(edgeIndex)) continue; position(va, vb, edgeIndex); v3sub(tmpV12, vb, va); const linkRadius = radius(edgeIndex); const linkStyle = style ? style(edgeIndex) : LinkStyle.Solid; const linkStub = stubCap && (stub ? stub(edgeIndex) : false); const [topCap, bottomCap] = (v3dot(tmpV12, up) > 0) ? [linkStub, linkCap] : [linkCap, linkStub]; builderState.currentGroup = edgeIndex; const aromaticOffsetFactor = 4.5; if (linkStyle === LinkStyle.Solid) { cylinderProps.radiusTop = cylinderProps.radiusBottom = linkRadius; cylinderProps.topCap = topCap; cylinderProps.bottomCap = bottomCap; addCylinder(builderState, va, vb, 0.5, cylinderProps); } else if (linkStyle === LinkStyle.Dashed) { cylinderProps.radiusTop = cylinderProps.radiusBottom = linkRadius * dashScale; cylinderProps.topCap = cylinderProps.bottomCap = dashCap; addFixedCountDashedCylinder(builderState, va, vb, 0.5, segmentCount, cylinderProps); } else if (linkStyle === LinkStyle.Double || linkStyle === LinkStyle.Triple || linkStyle === LinkStyle.Aromatic || linkStyle === LinkStyle.MirroredAromatic) { const order = linkStyle === LinkStyle.Double ? 2 : linkStyle === LinkStyle.Triple ? 3 : 1.5; const multiRadius = linkRadius * (linkScale / (0.5 * order)); const absOffset = (linkRadius - multiRadius) * linkSpacing; calculateShiftDir(vShift, va, vb, referencePosition ? referencePosition(edgeIndex) : null); cylinderProps.topCap = topCap; cylinderProps.bottomCap = bottomCap; if (linkStyle === LinkStyle.Aromatic || linkStyle === LinkStyle.MirroredAromatic) { cylinderProps.radiusTop = cylinderProps.radiusBottom = linkRadius; addCylinder(builderState, va, vb, 0.5, cylinderProps); cylinderProps.radiusTop = cylinderProps.radiusBottom = linkRadius * linkScale; cylinderProps.topCap = cylinderProps.bottomCap = dashCap; v3setMagnitude(vShift, vShift, absOffset * aromaticOffsetFactor); v3sub(va, va, vShift); v3sub(vb, vb, vShift); addFixedCountDashedCylinder(builderState, va, vb, 0.5, 3, cylinderProps); if (linkStyle === LinkStyle.MirroredAromatic) { v3setMagnitude(vShift, vShift, absOffset * aromaticOffsetFactor * 2); v3add(va, va, vShift); v3add(vb, vb, vShift); addFixedCountDashedCylinder(builderState, va, vb, 0.5, 3, cylinderProps); } } else { v3setMagnitude(vShift, vShift, absOffset); cylinderProps.radiusTop = cylinderProps.radiusBottom = multiRadius; if (order === 3) addCylinder(builderState, va, vb, 0.5, cylinderProps); addDoubleCylinder(builderState, va, vb, 0.5, vShift, cylinderProps); } } else if (linkStyle === LinkStyle.Disk) { v3scale(tmpV12, tmpV12, 0.475); v3add(va, va, tmpV12); v3sub(vb, vb, tmpV12); cylinderProps.radiusTop = cylinderProps.radiusBottom = linkRadius; cylinderProps.topCap = topCap; cylinderProps.bottomCap = bottomCap; addCylinder(builderState, va, vb, 0.5, cylinderProps); } } return MeshBuilder.getMesh(builderState); } /** * Each edge is included twice to allow for coloring/picking * the half closer to the first vertex, i.e. vertex a. */ export function createLinkCylinderImpostors(ctx: VisualContext, linkBuilder: LinkBuilderProps, props: LinkCylinderProps, cylinders?: Cylinders) { const { linkCount, referencePosition, position, style, radius, ignore, stub } = linkBuilder; if (!linkCount) return Cylinders.createEmpty(cylinders); const { linkScale, linkSpacing, linkCap, dashCount, dashScale, dashCap, stubCap } = props; const cylindersCountEstimate = linkCount * 2; const builder = CylindersBuilder.create(cylindersCountEstimate, cylindersCountEstimate / 4, cylinders); const va = Vec3(); const vb = Vec3(); const vm = Vec3(); const vShift = Vec3(); // automatically adjust length for evenly spaced dashed cylinders const segmentCount = dashCount % 2 === 1 ? dashCount : dashCount + 1; const lengthScale = 0.5 - (0.5 / 2 / segmentCount); const aromaticSegmentCount = 3; const aromaticLengthScale = 0.5 - (0.5 / 2 / aromaticSegmentCount); const aromaticOffsetFactor = 4.5; for (let edgeIndex = 0, _eI = linkCount; edgeIndex < _eI; ++edgeIndex) { if (ignore && ignore(edgeIndex)) continue; position(va, vb, edgeIndex); const linkRadius = radius(edgeIndex); const linkStyle = style ? style(edgeIndex) : LinkStyle.Solid; const linkStub = stubCap && (stub ? stub(edgeIndex) : false); if (linkStyle === LinkStyle.Solid) { v3scale(vm, v3add(vm, va, vb), 0.5); builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], 1, linkCap, linkStub, edgeIndex); } else if (linkStyle === LinkStyle.Dashed) { v3scale(tmpV12, v3sub(tmpV12, vb, va), lengthScale); v3sub(vb, vb, tmpV12); builder.addFixedCountDashes(va, vb, segmentCount, dashScale, dashCap, dashCap, edgeIndex); } else if (linkStyle === LinkStyle.Double || linkStyle === LinkStyle.Triple || linkStyle === LinkStyle.Aromatic || linkStyle === LinkStyle.MirroredAromatic) { const order = linkStyle === LinkStyle.Double ? 2 : linkStyle === LinkStyle.Triple ? 3 : 1.5; const multiScale = linkScale / (0.5 * order); const absOffset = (linkRadius - multiScale * linkRadius) * linkSpacing; v3scale(vm, v3add(vm, va, vb), 0.5); calculateShiftDir(vShift, va, vb, referencePosition ? referencePosition(edgeIndex) : null); if (linkStyle === LinkStyle.Aromatic || linkStyle === LinkStyle.MirroredAromatic) { builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], 1, linkCap, linkStub, edgeIndex); v3scale(tmpV12, v3sub(tmpV12, vb, va), aromaticLengthScale); v3sub(vb, vb, tmpV12); v3setMagnitude(vShift, vShift, absOffset * aromaticOffsetFactor); v3sub(va, va, vShift); v3sub(vb, vb, vShift); builder.addFixedCountDashes(va, vb, aromaticSegmentCount, linkScale, dashCap, dashCap, edgeIndex); if (linkStyle === LinkStyle.MirroredAromatic) { v3setMagnitude(vShift, vShift, absOffset * aromaticOffsetFactor * 2); v3add(va, va, vShift); v3add(vb, vb, vShift); builder.addFixedCountDashes(va, vb, aromaticSegmentCount, linkScale, dashCap, dashCap, edgeIndex); } } else { v3setMagnitude(vShift, vShift, absOffset); if (order === 3) builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], multiScale, linkCap, false, edgeIndex); builder.add(va[0] + vShift[0], va[1] + vShift[1], va[2] + vShift[2], vm[0] + vShift[0], vm[1] + vShift[1], vm[2] + vShift[2], multiScale, linkCap, linkStub, edgeIndex); builder.add(va[0] - vShift[0], va[1] - vShift[1], va[2] - vShift[2], vm[0] - vShift[0], vm[1] - vShift[1], vm[2] - vShift[2], multiScale, linkCap, linkStub, edgeIndex); } } else if (linkStyle === LinkStyle.Disk) { v3scale(tmpV12, v3sub(tmpV12, vb, va), 0.475); v3add(va, va, tmpV12); v3sub(vb, vb, tmpV12); builder.add(va[0], va[1], va[2], vb[0], vb[1], vb[2], 1, linkCap, linkStub, edgeIndex); } } return builder.getCylinders(); } /** * Each edge is included twice to allow for coloring/picking * the half closer to the first vertex, i.e. vertex a. */ export function createLinkLines(ctx: VisualContext, linkBuilder: LinkBuilderProps, props: LinkLineProps, lines?: Lines) { const { linkCount, referencePosition, position, style, ignore } = linkBuilder; if (!linkCount) return Lines.createEmpty(lines); const { linkScale, linkSpacing, dashCount } = props; const linesCountEstimate = linkCount * 2; const builder = LinesBuilder.create(linesCountEstimate, linesCountEstimate / 4, lines); const va = Vec3(); const vb = Vec3(); const vm = Vec3(); const vShift = Vec3(); // automatically adjust length for evenly spaced dashed lines const segmentCount = dashCount % 2 === 1 ? dashCount : dashCount + 1; const lengthScale = 0.5 - (0.5 / 2 / segmentCount); const aromaticSegmentCount = 3; const aromaticLengthScale = 0.5 - (0.5 / 2 / aromaticSegmentCount); const aromaticOffsetFactor = 4.5; for (let edgeIndex = 0, _eI = linkCount; edgeIndex < _eI; ++edgeIndex) { if (ignore && ignore(edgeIndex)) continue; position(va, vb, edgeIndex); const linkStyle = style ? style(edgeIndex) : LinkStyle.Solid; if (linkStyle === LinkStyle.Solid) { v3scale(vm, v3add(vm, va, vb), 0.5); builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], edgeIndex); } else if (linkStyle === LinkStyle.Dashed) { v3scale(tmpV12, v3sub(tmpV12, vb, va), lengthScale); v3sub(vb, vb, tmpV12); builder.addFixedCountDashes(va, vb, segmentCount, edgeIndex); } else if (linkStyle === LinkStyle.Double || linkStyle === LinkStyle.Triple || linkStyle === LinkStyle.Aromatic || linkStyle === LinkStyle.MirroredAromatic) { const order = linkStyle === LinkStyle.Double ? 2 : linkStyle === LinkStyle.Triple ? 3 : 1.5; const multiRadius = 1 * (linkScale / (0.5 * order)); const absOffset = (1 - multiRadius) * linkSpacing; v3scale(vm, v3add(vm, va, vb), 0.5); calculateShiftDir(vShift, va, vb, referencePosition ? referencePosition(edgeIndex) : null); if (linkStyle === LinkStyle.Aromatic || linkStyle === LinkStyle.MirroredAromatic) { builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], edgeIndex); v3scale(tmpV12, v3sub(tmpV12, vb, va), aromaticLengthScale); v3sub(vb, vb, tmpV12); v3setMagnitude(vShift, vShift, absOffset * aromaticOffsetFactor); v3sub(va, va, vShift); v3sub(vb, vb, vShift); builder.addFixedCountDashes(va, vb, aromaticSegmentCount, edgeIndex); if (linkStyle === LinkStyle.MirroredAromatic) { v3setMagnitude(vShift, vShift, absOffset * aromaticOffsetFactor * 2); v3add(va, va, vShift); v3add(vb, vb, vShift); builder.addFixedCountDashes(va, vb, aromaticSegmentCount, edgeIndex); } } else { v3setMagnitude(vShift, vShift, absOffset); if (order === 3) builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], edgeIndex); builder.add(va[0] + vShift[0], va[1] + vShift[1], va[2] + vShift[2], vm[0] + vShift[0], vm[1] + vShift[1], vm[2] + vShift[2], edgeIndex); builder.add(va[0] - vShift[0], va[1] - vShift[1], va[2] - vShift[2], vm[0] - vShift[0], vm[1] - vShift[1], vm[2] - vShift[2], edgeIndex); } } else if (linkStyle === LinkStyle.Disk) { v3scale(tmpV12, v3sub(tmpV12, vb, va), 0.475); v3add(va, va, tmpV12); v3sub(vb, vb, tmpV12); // TODO what to do here? Line as disk doesn't work well. builder.add(va[0], va[1], va[2], vb[0], vb[1], vb[2], edgeIndex); } } return builder.getLines(); }