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molstar

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A comprehensive macromolecular library.

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/** * Copyright (c) 2018-2024 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> */ import { ValueCell } from '../../../mol-util'; import { Vec3, Vec4 } from '../../../mol-math/linear-algebra'; import { transformPositionArray, createGroupMapping } from '../../util'; import { createColors } from '../color-data'; import { createMarkers } from '../marker-data'; import { createSizes } from '../size-data'; import { LocationIterator, PositionLocation } from '../../util/location-iterator'; import { LinesBuilder } from './lines-builder'; import { ParamDefinition as PD } from '../../../mol-util/param-definition'; import { calculateInvariantBoundingSphere, calculateTransformBoundingSphere } from '../../../mol-gl/renderable/util'; import { Sphere3D } from '../../../mol-math/geometry'; import { BaseGeometry } from '../base'; import { createEmptyOverpaint } from '../overpaint-data'; import { createEmptyTransparency } from '../transparency-data'; import { hashFnv32a } from '../../../mol-data/util'; import { createEmptyClipping } from '../clipping-data'; import { createEmptySubstance } from '../substance-data'; import { createEmptyEmissive } from '../emissive-data'; export var Lines; (function (Lines) { function create(mappings, indices, groups, starts, ends, lineCount, lines) { return lines ? update(mappings, indices, groups, starts, ends, lineCount, lines) : fromArrays(mappings, indices, groups, starts, ends, lineCount); } Lines.create = create; function createEmpty(lines) { const mb = lines ? lines.mappingBuffer.ref.value : new Float32Array(0); const ib = lines ? lines.indexBuffer.ref.value : new Uint32Array(0); const gb = lines ? lines.groupBuffer.ref.value : new Float32Array(0); const sb = lines ? lines.startBuffer.ref.value : new Float32Array(0); const eb = lines ? lines.endBuffer.ref.value : new Float32Array(0); return create(mb, ib, gb, sb, eb, 0, lines); } Lines.createEmpty = createEmpty; function fromMesh(mesh, lines) { const vb = mesh.vertexBuffer.ref.value; const ib = mesh.indexBuffer.ref.value; const gb = mesh.groupBuffer.ref.value; const builder = LinesBuilder.create(mesh.triangleCount * 3, mesh.triangleCount / 10, lines); // TODO avoid duplicate lines for (let i = 0, il = mesh.triangleCount * 3; i < il; i += 3) { const i0 = ib[i], i1 = ib[i + 1], i2 = ib[i + 2]; const x0 = vb[i0 * 3], y0 = vb[i0 * 3 + 1], z0 = vb[i0 * 3 + 2]; const x1 = vb[i1 * 3], y1 = vb[i1 * 3 + 1], z1 = vb[i1 * 3 + 2]; const x2 = vb[i2 * 3], y2 = vb[i2 * 3 + 1], z2 = vb[i2 * 3 + 2]; builder.add(x0, y0, z0, x1, y1, z1, gb[i0]); builder.add(x0, y0, z0, x2, y2, z2, gb[i0]); builder.add(x1, y1, z1, x2, y2, z2, gb[i1]); } return builder.getLines(); } Lines.fromMesh = fromMesh; function hashCode(lines) { return hashFnv32a([ lines.lineCount, lines.mappingBuffer.ref.version, lines.indexBuffer.ref.version, lines.groupBuffer.ref.version, lines.startBuffer.ref.version, lines.endBuffer.ref.version ]); } function fromArrays(mappings, indices, groups, starts, ends, lineCount) { const boundingSphere = Sphere3D(); let groupMapping; let currentHash = -1; let currentGroup = -1; const lines = { kind: 'lines', lineCount, mappingBuffer: ValueCell.create(mappings), indexBuffer: ValueCell.create(indices), groupBuffer: ValueCell.create(groups), startBuffer: ValueCell.create(starts), endBuffer: ValueCell.create(ends), get boundingSphere() { const newHash = hashCode(lines); if (newHash !== currentHash) { const s = calculateInvariantBoundingSphere(lines.startBuffer.ref.value, lines.lineCount * 4, 4); const e = calculateInvariantBoundingSphere(lines.endBuffer.ref.value, lines.lineCount * 4, 4); Sphere3D.expandBySphere(boundingSphere, s, e); currentHash = newHash; } return boundingSphere; }, get groupMapping() { if (lines.groupBuffer.ref.version !== currentGroup) { groupMapping = createGroupMapping(lines.groupBuffer.ref.value, lines.lineCount, 4); currentGroup = lines.groupBuffer.ref.version; } return groupMapping; }, setBoundingSphere(sphere) { Sphere3D.copy(boundingSphere, sphere); currentHash = hashCode(lines); } }; return lines; } function update(mappings, indices, groups, starts, ends, lineCount, lines) { if (lineCount > lines.lineCount) { ValueCell.update(lines.mappingBuffer, mappings); ValueCell.update(lines.indexBuffer, indices); } lines.lineCount = lineCount; ValueCell.update(lines.groupBuffer, groups); ValueCell.update(lines.startBuffer, starts); ValueCell.update(lines.endBuffer, ends); return lines; } function transform(lines, t) { const start = lines.startBuffer.ref.value; transformPositionArray(t, start, 0, lines.lineCount * 4); ValueCell.update(lines.startBuffer, start); const end = lines.endBuffer.ref.value; transformPositionArray(t, end, 0, lines.lineCount * 4); ValueCell.update(lines.endBuffer, end); } Lines.transform = transform; // Lines.Params = { ...BaseGeometry.Params, sizeFactor: PD.Numeric(2, { min: 0, max: 10, step: 0.1 }), lineSizeAttenuation: PD.Boolean(false), }; Lines.Utils = { Params: Lines.Params, createEmpty, createValues, createValuesSimple, updateValues, updateBoundingSphere, createRenderableState: BaseGeometry.createRenderableState, updateRenderableState: BaseGeometry.updateRenderableState, createPositionIterator }; function createPositionIterator(lines, transform) { const groupCount = lines.lineCount * 4; const instanceCount = transform.instanceCount.ref.value; const location = PositionLocation(); const p = location.position; const s = lines.startBuffer.ref.value; const e = lines.endBuffer.ref.value; const m = transform.aTransform.ref.value; const getLocation = (groupIndex, instanceIndex) => { const v = groupIndex % 4 === 0 ? s : e; if (instanceIndex < 0) { Vec3.fromArray(p, v, groupIndex * 3); } else { Vec3.transformMat4Offset(p, v, m, 0, groupIndex * 3, instanceIndex * 16); } return location; }; return LocationIterator(groupCount, instanceCount, 2, getLocation); } function createValues(lines, transform, locationIt, theme, props) { const { instanceCount, groupCount } = locationIt; const positionIt = createPositionIterator(lines, transform); const color = createColors(locationIt, positionIt, theme.color); const size = createSizes(locationIt, theme.size); const marker = props.instanceGranularity ? createMarkers(instanceCount, 'instance') : createMarkers(instanceCount * groupCount, 'groupInstance'); const overpaint = createEmptyOverpaint(); const transparency = createEmptyTransparency(); const emissive = createEmptyEmissive(); const material = createEmptySubstance(); const clipping = createEmptyClipping(); const counts = { drawCount: lines.lineCount * 2 * 3, vertexCount: lines.lineCount * 4, groupCount, instanceCount }; const invariantBoundingSphere = Sphere3D.clone(lines.boundingSphere); const boundingSphere = calculateTransformBoundingSphere(invariantBoundingSphere, transform.aTransform.ref.value, instanceCount, 0); return { dGeometryType: ValueCell.create('lines'), aMapping: lines.mappingBuffer, aGroup: lines.groupBuffer, aStart: lines.startBuffer, aEnd: lines.endBuffer, elements: lines.indexBuffer, boundingSphere: ValueCell.create(boundingSphere), invariantBoundingSphere: ValueCell.create(invariantBoundingSphere), uInvariantBoundingSphere: ValueCell.create(Vec4.ofSphere(invariantBoundingSphere)), ...color, ...size, ...marker, ...overpaint, ...transparency, ...emissive, ...material, ...clipping, ...transform, ...BaseGeometry.createValues(props, counts), uSizeFactor: ValueCell.create(props.sizeFactor), dLineSizeAttenuation: ValueCell.create(props.lineSizeAttenuation), uDoubleSided: ValueCell.create(true), dFlipSided: ValueCell.create(false), }; } function createValuesSimple(lines, props, colorValue, sizeValue, transform) { const s = BaseGeometry.createSimple(colorValue, sizeValue, transform); const p = { ...PD.getDefaultValues(Lines.Params), ...props }; return createValues(lines, s.transform, s.locationIterator, s.theme, p); } function updateValues(values, props) { BaseGeometry.updateValues(values, props); ValueCell.updateIfChanged(values.uSizeFactor, props.sizeFactor); ValueCell.updateIfChanged(values.dLineSizeAttenuation, props.lineSizeAttenuation); } function updateBoundingSphere(values, lines) { const invariantBoundingSphere = Sphere3D.clone(lines.boundingSphere); const boundingSphere = calculateTransformBoundingSphere(invariantBoundingSphere, values.aTransform.ref.value, values.instanceCount.ref.value, 0); if (!Sphere3D.equals(boundingSphere, values.boundingSphere.ref.value)) { ValueCell.update(values.boundingSphere, boundingSphere); } if (!Sphere3D.equals(invariantBoundingSphere, values.invariantBoundingSphere.ref.value)) { ValueCell.update(values.invariantBoundingSphere, invariantBoundingSphere); ValueCell.update(values.uInvariantBoundingSphere, Vec4.fromSphere(values.uInvariantBoundingSphere.ref.value, invariantBoundingSphere)); } } })(Lines || (Lines = {}));