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molstar

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A comprehensive macromolecular library.

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/** * Copyright (c) 2020-2024 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> * @author Gianluca Tomasello <giagitom@gmail.com> */ 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, getMaxSize } from '../size-data'; import { LocationIterator, PositionLocation } from '../../util/location-iterator'; 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 Cylinders; (function (Cylinders) { function create(mappings, indices, groups, starts, ends, scales, caps, colorModes, cylinderCount, cylinders) { return cylinders ? update(mappings, indices, groups, starts, ends, scales, caps, colorModes, cylinderCount, cylinders) : fromArrays(mappings, indices, groups, starts, ends, scales, caps, colorModes, cylinderCount); } Cylinders.create = create; function createEmpty(cylinders) { const mb = cylinders ? cylinders.mappingBuffer.ref.value : new Float32Array(0); const ib = cylinders ? cylinders.indexBuffer.ref.value : new Uint32Array(0); const gb = cylinders ? cylinders.groupBuffer.ref.value : new Float32Array(0); const sb = cylinders ? cylinders.startBuffer.ref.value : new Float32Array(0); const eb = cylinders ? cylinders.endBuffer.ref.value : new Float32Array(0); const ab = cylinders ? cylinders.scaleBuffer.ref.value : new Float32Array(0); const cb = cylinders ? cylinders.capBuffer.ref.value : new Float32Array(0); const cmb = cylinders ? cylinders.colorModeBuffer.ref.value : new Float32Array(0); return create(mb, ib, gb, sb, eb, ab, cb, cmb, 0, cylinders); } Cylinders.createEmpty = createEmpty; function hashCode(cylinders) { return hashFnv32a([ cylinders.cylinderCount, cylinders.mappingBuffer.ref.version, cylinders.indexBuffer.ref.version, cylinders.groupBuffer.ref.version, cylinders.startBuffer.ref.version, cylinders.endBuffer.ref.version, cylinders.scaleBuffer.ref.version, cylinders.capBuffer.ref.version, cylinders.colorModeBuffer.ref.version ]); } function fromArrays(mappings, indices, groups, starts, ends, scales, caps, colorModes, cylinderCount) { const boundingSphere = Sphere3D(); let groupMapping; let currentHash = -1; let currentGroup = -1; const cylinders = { kind: 'cylinders', cylinderCount, mappingBuffer: ValueCell.create(mappings), indexBuffer: ValueCell.create(indices), groupBuffer: ValueCell.create(groups), startBuffer: ValueCell.create(starts), endBuffer: ValueCell.create(ends), scaleBuffer: ValueCell.create(scales), capBuffer: ValueCell.create(caps), colorModeBuffer: ValueCell.create(colorModes), get boundingSphere() { const newHash = hashCode(cylinders); if (newHash !== currentHash) { const s = calculateInvariantBoundingSphere(cylinders.startBuffer.ref.value, cylinders.cylinderCount * 6, 6); const e = calculateInvariantBoundingSphere(cylinders.endBuffer.ref.value, cylinders.cylinderCount * 6, 6); Sphere3D.expandBySphere(boundingSphere, s, e); currentHash = newHash; } return boundingSphere; }, get groupMapping() { if (cylinders.groupBuffer.ref.version !== currentGroup) { groupMapping = createGroupMapping(cylinders.groupBuffer.ref.value, cylinders.cylinderCount, 6); currentGroup = cylinders.groupBuffer.ref.version; } return groupMapping; }, setBoundingSphere(sphere) { Sphere3D.copy(boundingSphere, sphere); currentHash = hashCode(cylinders); } }; return cylinders; } function update(mappings, indices, groups, starts, ends, scales, caps, colorModes, cylinderCount, cylinders) { if (cylinderCount > cylinders.cylinderCount) { ValueCell.update(cylinders.mappingBuffer, mappings); ValueCell.update(cylinders.indexBuffer, indices); } cylinders.cylinderCount = cylinderCount; ValueCell.update(cylinders.groupBuffer, groups); ValueCell.update(cylinders.startBuffer, starts); ValueCell.update(cylinders.endBuffer, ends); ValueCell.update(cylinders.scaleBuffer, scales); ValueCell.update(cylinders.capBuffer, caps); ValueCell.update(cylinders.colorModeBuffer, colorModes); return cylinders; } function transform(cylinders, t) { const start = cylinders.startBuffer.ref.value; transformPositionArray(t, start, 0, cylinders.cylinderCount * 6); ValueCell.update(cylinders.startBuffer, start); const end = cylinders.endBuffer.ref.value; transformPositionArray(t, end, 0, cylinders.cylinderCount * 6); ValueCell.update(cylinders.endBuffer, end); } Cylinders.transform = transform; // Cylinders.Params = { ...BaseGeometry.Params, sizeFactor: PD.Numeric(1, { min: 0, max: 10, step: 0.1 }), sizeAspectRatio: PD.Numeric(1, { min: 0, max: 3, step: 0.01 }), doubleSided: PD.Boolean(false, BaseGeometry.CustomQualityParamInfo), ignoreLight: PD.Boolean(false, BaseGeometry.ShadingCategory), celShaded: PD.Boolean(false, BaseGeometry.ShadingCategory), xrayShaded: PD.Select(false, [[false, 'Off'], [true, 'On'], ['inverted', 'Inverted']], BaseGeometry.ShadingCategory), transparentBackfaces: PD.Select('off', PD.arrayToOptions(['off', 'on', 'opaque']), BaseGeometry.ShadingCategory), solidInterior: PD.Boolean(true, BaseGeometry.ShadingCategory), bumpFrequency: PD.Numeric(0, { min: 0, max: 10, step: 0.1 }, BaseGeometry.ShadingCategory), bumpAmplitude: PD.Numeric(1, { min: 0, max: 5, step: 0.1 }, BaseGeometry.ShadingCategory), colorMode: PD.Select('default', PD.arrayToOptions(['default', 'interpolate']), BaseGeometry.ShadingCategory) }; Cylinders.Utils = { Params: Cylinders.Params, createEmpty, createValues, createValuesSimple, updateValues, updateBoundingSphere, createRenderableState, updateRenderableState, createPositionIterator }; function createPositionIterator(cylinders, transform) { const groupCount = cylinders.cylinderCount * 6; const instanceCount = transform.instanceCount.ref.value; const location = PositionLocation(); const p = location.position; const s = cylinders.startBuffer.ref.value; const e = cylinders.endBuffer.ref.value; const m = transform.aTransform.ref.value; const getLocation = (groupIndex, instanceIndex) => { const v = groupIndex % 6 === 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(cylinders, transform, locationIt, theme, props) { const { instanceCount, groupCount } = locationIt; const positionIt = createPositionIterator(cylinders, 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: cylinders.cylinderCount * 4 * 3, vertexCount: cylinders.cylinderCount * 6, groupCount, instanceCount }; const padding = getMaxSize(size) * props.sizeFactor; const invariantBoundingSphere = Sphere3D.clone(cylinders.boundingSphere); const boundingSphere = calculateTransformBoundingSphere(invariantBoundingSphere, transform.aTransform.ref.value, instanceCount, 0); return { dGeometryType: ValueCell.create('cylinders'), aMapping: cylinders.mappingBuffer, aGroup: cylinders.groupBuffer, aStart: cylinders.startBuffer, aEnd: cylinders.endBuffer, aScale: cylinders.scaleBuffer, aCap: cylinders.capBuffer, aColorMode: cylinders.colorModeBuffer, elements: cylinders.indexBuffer, boundingSphere: ValueCell.create(boundingSphere), invariantBoundingSphere: ValueCell.create(invariantBoundingSphere), uInvariantBoundingSphere: ValueCell.create(Vec4.ofSphere(invariantBoundingSphere)), ...color, ...size, ...marker, ...overpaint, ...transparency, ...emissive, ...material, ...clipping, ...transform, padding: ValueCell.create(padding), ...BaseGeometry.createValues(props, counts), uSizeFactor: ValueCell.create(props.sizeFactor * props.sizeAspectRatio), uDoubleSided: ValueCell.create(props.doubleSided), dIgnoreLight: ValueCell.create(props.ignoreLight), dCelShaded: ValueCell.create(props.celShaded), dXrayShaded: ValueCell.create(props.xrayShaded === 'inverted' ? 'inverted' : props.xrayShaded === true ? 'on' : 'off'), dTransparentBackfaces: ValueCell.create(props.transparentBackfaces), dSolidInterior: ValueCell.create(props.solidInterior), uBumpFrequency: ValueCell.create(props.bumpFrequency), uBumpAmplitude: ValueCell.create(props.bumpAmplitude), dDualColor: ValueCell.create(props.colorMode === 'interpolate'), }; } function createValuesSimple(cylinders, props, colorValue, sizeValue, transform) { const s = BaseGeometry.createSimple(colorValue, sizeValue, transform); const p = { ...PD.getDefaultValues(Cylinders.Params), ...props }; return createValues(cylinders, s.transform, s.locationIterator, s.theme, p); } function updateValues(values, props) { BaseGeometry.updateValues(values, props); ValueCell.updateIfChanged(values.uSizeFactor, props.sizeFactor * props.sizeAspectRatio); ValueCell.updateIfChanged(values.uDoubleSided, props.doubleSided); ValueCell.updateIfChanged(values.dIgnoreLight, props.ignoreLight); ValueCell.updateIfChanged(values.dCelShaded, props.celShaded); ValueCell.updateIfChanged(values.dXrayShaded, props.xrayShaded === 'inverted' ? 'inverted' : props.xrayShaded === true ? 'on' : 'off'); ValueCell.updateIfChanged(values.dTransparentBackfaces, props.transparentBackfaces); ValueCell.updateIfChanged(values.dSolidInterior, props.solidInterior); ValueCell.updateIfChanged(values.uBumpFrequency, props.bumpFrequency); ValueCell.updateIfChanged(values.uBumpAmplitude, props.bumpAmplitude); ValueCell.updateIfChanged(values.dDualColor, props.colorMode === 'interpolate'); } function updateBoundingSphere(values, cylinders) { const invariantBoundingSphere = Sphere3D.clone(cylinders.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)); } } function createRenderableState(props) { const state = BaseGeometry.createRenderableState(props); updateRenderableState(state, props); return state; } function updateRenderableState(state, props) { BaseGeometry.updateRenderableState(state, props); state.opaque = state.opaque && !props.xrayShaded; state.writeDepth = state.opaque; } })(Cylinders || (Cylinders = {}));