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molstar

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A comprehensive macromolecular library.

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/** * Copyright (c) 2020-2025 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> */ import { hashFnv32a } from '../../../mol-data/util'; import { LocationIterator } from '../../../mol-geo/util/location-iterator'; import { calculateTransformBoundingSphere, createTextureImage } from '../../../mol-gl/renderable/util'; import { Sphere3D } from '../../../mol-math/geometry'; import { Vec2, Vec4, Vec3, Quat, Mat4 } from '../../../mol-math/linear-algebra'; import { ValueCell } from '../../../mol-util'; import { ParamDefinition as PD } from '../../../mol-util/param-definition'; import { BaseGeometry } from '../base'; import { createColors } from '../color-data'; import { createMarkers } from '../marker-data'; import { createEmptyOverpaint } from '../overpaint-data'; import { createEmptyTransparency } from '../transparency-data'; import { fillSerial } from '../../../mol-util/array'; import { createEmptyClipping } from '../clipping-data'; import { NullLocation } from '../../../mol-model/location'; import { QuadPositions } from '../../../mol-gl/compute/util'; import { createEmptySubstance } from '../substance-data'; import { createEmptyEmissive } from '../emissive-data'; const QuadIndices = new Uint32Array([ 0, 1, 2, 1, 3, 2 ]); const QuadUvs = new Float32Array([ 0, 1, 0, 0, 1, 1, 1, 0 ]); export const InterpolationTypes = { 'nearest': 'Nearest', 'catmulrom': 'Catmulrom (Cubic)', 'mitchell': 'Mitchell (Cubic)', 'bspline': 'B-Spline (Cubic)' }; export const InterpolationTypeNames = Object.keys(InterpolationTypes); export { Image }; var Image; (function (Image) { function createEmptyTrim() { return { type: 0, center: Vec3(), rotation: Quat(), scale: Vec3(), transform: Mat4() }; } Image.createEmptyTrim = createEmptyTrim; function create(imageTexture, corners, groupTexture, valueTexture, trim, isoLevel, image) { return image ? update(imageTexture, corners, groupTexture, valueTexture, trim, isoLevel, image) : fromData(imageTexture, corners, groupTexture, valueTexture, trim, isoLevel); } Image.create = create; function hashCode(image) { return hashFnv32a([ image.cornerBuffer.ref.version ]); } function fromData(imageTexture, corners, groupTexture, valueTexture, trim, isoLevel) { const boundingSphere = Sphere3D(); let currentHash = -1; const width = imageTexture.width; const height = imageTexture.height; const image = { kind: 'image', imageTexture: ValueCell.create(imageTexture), imageTextureDim: ValueCell.create(Vec2.create(width, height)), cornerBuffer: ValueCell.create(corners), groupTexture: ValueCell.create(groupTexture), valueTexture: ValueCell.create(valueTexture), trimType: ValueCell.create(trim.type), trimCenter: ValueCell.create(trim.center), trimRotation: ValueCell.create(trim.rotation), trimScale: ValueCell.create(trim.scale), trimTransform: ValueCell.create(trim.transform), isoLevel: ValueCell.create(isoLevel), get boundingSphere() { const newHash = hashCode(image); if (newHash !== currentHash) { const b = getBoundingSphere(image.cornerBuffer.ref.value); Sphere3D.copy(boundingSphere, b); currentHash = newHash; } return boundingSphere; }, }; return image; } function update(imageTexture, corners, groupTexture, valueTexture, trim, isoLevel, image) { const width = imageTexture.width; const height = imageTexture.height; ValueCell.update(image.imageTexture, imageTexture); ValueCell.update(image.imageTextureDim, Vec2.set(image.imageTextureDim.ref.value, width, height)); ValueCell.update(image.cornerBuffer, corners); ValueCell.update(image.groupTexture, groupTexture); ValueCell.update(image.valueTexture, valueTexture); ValueCell.updateIfChanged(image.trimType, trim.type); ValueCell.update(image.trimCenter, Vec3.copy(image.trimCenter.ref.value, trim.center)); ValueCell.update(image.trimRotation, Quat.copy(image.trimRotation.ref.value, trim.rotation)); ValueCell.update(image.trimScale, Vec3.copy(image.trimScale.ref.value, trim.scale)); ValueCell.update(image.trimTransform, Mat4.copy(image.trimTransform.ref.value, trim.transform)); ValueCell.updateIfChanged(image.isoLevel, isoLevel); return image; } function createEmpty(image) { const imageTexture = createTextureImage(0, 4, Uint8Array); const corners = image ? image.cornerBuffer.ref.value : new Float32Array(8 * 3); const groupTexture = createTextureImage(0, 4, Uint8Array); const valueTexture = createTextureImage(0, 1, Float32Array); const trim = createEmptyTrim(); return create(imageTexture, corners, groupTexture, valueTexture, trim, -1, image); } Image.createEmpty = createEmpty; Image.Params = { ...BaseGeometry.Params, interpolation: PD.Select('bspline', PD.objectToOptions(InterpolationTypes)), }; Image.Utils = { Params: Image.Params, createEmpty, createValues, createValuesSimple, updateValues, updateBoundingSphere, createRenderableState, updateRenderableState, createPositionIterator }; function createPositionIterator(_image, _transform) { return LocationIterator(1, 1, 1, () => NullLocation); } function createValues(image, transform, locationIt, theme, props) { const { instanceCount, groupCount } = locationIt; const positionIt = createPositionIterator(image, transform); const color = createColors(locationIt, positionIt, theme.color); 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: QuadIndices.length, vertexCount: QuadPositions.length / 3, groupCount, instanceCount }; const invariantBoundingSphere = Sphere3D.clone(image.boundingSphere); const boundingSphere = calculateTransformBoundingSphere(invariantBoundingSphere, transform.aTransform.ref.value, instanceCount, 0); return { dGeometryType: ValueCell.create('image'), ...color, ...marker, ...overpaint, ...transparency, ...emissive, ...material, ...clipping, ...transform, ...BaseGeometry.createValues(props, counts), aPosition: image.cornerBuffer, aUv: ValueCell.create(QuadUvs), elements: ValueCell.create(QuadIndices), // aGroup is used as a vertex index here, group id is in tGroupTex aGroup: ValueCell.create(fillSerial(new Float32Array(4))), boundingSphere: ValueCell.create(boundingSphere), invariantBoundingSphere: ValueCell.create(invariantBoundingSphere), uInvariantBoundingSphere: ValueCell.create(Vec4.ofSphere(invariantBoundingSphere)), dInterpolation: ValueCell.create(props.interpolation), uImageTexDim: image.imageTextureDim, tImageTex: image.imageTexture, tGroupTex: image.groupTexture, tValueTex: image.valueTexture, uTrimType: image.trimType, uTrimCenter: image.trimCenter, uTrimRotation: image.trimRotation, uTrimScale: image.trimScale, uTrimTransform: image.trimTransform, uIsoLevel: image.isoLevel, }; } function createValuesSimple(image, props, colorValue, sizeValue, transform) { const s = BaseGeometry.createSimple(colorValue, sizeValue, transform); const p = { ...PD.getDefaultValues(Image.Params), ...props }; return createValues(image, s.transform, s.locationIterator, s.theme, p); } function updateValues(values, props) { BaseGeometry.updateValues(values, props); ValueCell.updateIfChanged(values.dInterpolation, props.interpolation); } function updateBoundingSphere(values, image) { const invariantBoundingSphere = Sphere3D.clone(image.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); state.opaque = false; return state; } function updateRenderableState(state, props) { BaseGeometry.updateRenderableState(state, props); state.opaque = false; } })(Image || (Image = {})); // function getBoundingSphere(corners) { const center = Vec3(); const extrema = []; for (let i = 0, il = corners.length; i < il; i += 3) { const e = Vec3.fromArray(Vec3(), corners, i); extrema.push(e); Vec3.add(center, center, e); } Vec3.scale(center, center, 1 / (corners.length / 3)); let radius = 0; for (const e of extrema) { const d = Vec3.distance(center, e); if (d > radius) radius = d; } const sphere = Sphere3D.create(center, radius); Sphere3D.setExtrema(sphere, extrema); return sphere; }