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molstar

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A comprehensive macromolecular library.

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/** * Copyright (c) 2018-2026 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> */ import { Visual } from '../visual.js'; import { Grid, Volume } from '../../mol-model/volume.js'; import { Geometry } from '../../mol-geo/geometry/geometry.js'; import { Theme } from '../../mol-theme/theme.js'; import { createIdentityTransform, createTransform } from '../../mol-geo/geometry/transform-data.js'; import { createRenderObject } from '../../mol-gl/render-object.js'; import { isEveryLoci, EmptyLoci } from '../../mol-model/loci.js'; import { Interval, OrderedSet } from '../../mol-data/int.js'; import { VisualUpdateState } from '../util.js'; import { ColorTheme } from '../../mol-theme/color.js'; import { ValueCell } from '../../mol-util/index.js'; import { createSizes } from '../../mol-geo/geometry/size-data.js'; import { createColors } from '../../mol-geo/geometry/color-data.js'; import { Mat4 } from '../../mol-math/linear-algebra.js'; import { isPromiseLike } from '../../mol-util/type-helpers.js'; import { createMarkers } from '../../mol-geo/geometry/marker-data.js'; import { SizeTheme } from '../../mol-theme/size.js'; import { BaseGeometry } from '../../mol-geo/geometry/base.js'; export const VolumeParams = { ...BaseGeometry.Params, }; function createVolumeInstancesTransform(volume, invariantBoundingSphere, cellSize, batchSize, transformData) { const instanceCount = volume.instances.length; const transformArray = new Float32Array(instanceCount * 16); for (let i = 0; i < instanceCount; ++i) { Mat4.toArray(volume.instances[i].transform, transformArray, i * 16); } return createTransform(transformArray, instanceCount, invariantBoundingSphere, cellSize, batchSize, transformData); } function createVolumeRenderObject(volume, geometry, locationIt, theme, props, materialId) { const { createValues, createRenderableState } = Geometry.getUtils(geometry); const transform = locationIt.nonInstanceable ? createIdentityTransform() : createVolumeInstancesTransform(volume, geometry.boundingSphere, props.cellSize, props.batchSize); const values = createValues(geometry, transform, locationIt, theme, props); const state = createRenderableState(props); return createRenderObject(geometry.kind, values, state, materialId); } export function VolumeVisual(builder, materialId) { const { defaultProps, createGeometry, createLocationIterator, getLoci, eachLocation, setUpdateState, initUpdateState, mustRecreate, dispose } = builder; const { updateValues, updateBoundingSphere, updateRenderableState, createPositionIterator } = builder.geometryUtils; const updateState = VisualUpdateState.create(); let renderObject; let newProps; let newTheme; let newVolume; let newKey; let currentProps = Object.assign({}, defaultProps); let currentTheme = Theme.createEmpty(); let currentVolume; let currentKey; let geometry; let geometryVersion = -1; let locationIt; let positionIt; function prepareUpdate(theme, props, volume, key) { if (!volume && !currentVolume) { throw new Error('missing volume'); } newProps = Object.assign({}, currentProps, props); newTheme = theme; newVolume = volume; newKey = key; VisualUpdateState.reset(updateState); if (!renderObject) { updateState.createNew = true; } else if (Grid.areEquivalent(newVolume.grid, currentVolume.grid) && !Volume.areInstanceTransformsEqual(newVolume, currentVolume)) { updateState.updateTransform = true; } else if (!Volume.areEquivalent(newVolume, currentVolume) || newKey !== currentKey) { updateState.createNew = true; } if (updateState.createNew) { initUpdateState === null || initUpdateState === void 0 ? void 0 : initUpdateState(updateState, newVolume, newProps, newTheme); updateState.createGeometry = true; return; } setUpdateState(updateState, volume, newProps, currentProps, newTheme, currentTheme); if (!ColorTheme.areEqual(theme.color, currentTheme.color)) { updateState.updateColor = true; } if (!SizeTheme.areEqual(theme.size, currentTheme.size)) { updateState.updateSize = true; } if (locationIt.nonInstanceable) { if (newProps.instanceGranularity !== currentProps.instanceGranularity) { updateState.updateTransform = true; } } else { if (newProps.instanceGranularity !== currentProps.instanceGranularity || newProps.cellSize !== currentProps.cellSize || newProps.batchSize !== currentProps.batchSize) { updateState.updateTransform = true; } if (updateState.updateTransform) { updateState.updateMatrix = true; } } if (updateState.updateSize && !('uSize' in renderObject.values)) { updateState.createGeometry = true; } if (updateState.createGeometry) { updateState.updateColor = true; updateState.updateSize = true; } } function update(newGeometry) { if (updateState.createNew) { locationIt = createLocationIterator(newVolume, newKey); if (newGeometry) { renderObject = createVolumeRenderObject(newVolume, newGeometry, locationIt, newTheme, newProps, materialId); positionIt = createPositionIterator(newGeometry, renderObject.values); } else { throw new Error('expected geometry to be given'); } } else { if (!renderObject) { throw new Error('expected renderObject to be available'); } if (updateState.updateColor || updateState.updateSize || updateState.updateTransform || updateState.updateLocation) { // console.log('update locationIterator'); locationIt = createLocationIterator(newVolume, newKey); } if (updateState.updateTransform || updateState.updateLocation) { // console.log('update transform'); const { instanceCount, groupCount } = locationIt; if (newProps.instanceGranularity) { createMarkers(instanceCount, 'instance', renderObject.values); } else { createMarkers(instanceCount * groupCount, 'groupInstance', renderObject.values); } } if (updateState.updateMatrix) { // console.log('update matrix'); createVolumeInstancesTransform(newVolume, geometry.boundingSphere, newProps.cellSize, newProps.batchSize, renderObject.values); } if (updateState.createGeometry) { if (newGeometry) { ValueCell.updateIfChanged(renderObject.values.drawCount, Geometry.getDrawCount(newGeometry)); ValueCell.updateIfChanged(renderObject.values.uVertexCount, Geometry.getVertexCount(newGeometry)); ValueCell.updateIfChanged(renderObject.values.uGroupCount, locationIt.groupCount); } else { throw new Error('expected geometry to be given'); } } if (updateState.updateTransform || updateState.createGeometry) { updateBoundingSphere(renderObject.values, newGeometry || geometry); positionIt = createPositionIterator(newGeometry || geometry, renderObject.values); } if (updateState.updateSize) { // not all geometries have size data, so check here if ('uSize' in renderObject.values) { // console.log('update size'); createSizes(locationIt, positionIt, newTheme.size, renderObject.values); } } if (updateState.updateColor) { // console.log('update color'); createColors(locationIt, positionIt, newTheme.color, renderObject.values); } updateValues(renderObject.values, newProps); updateRenderableState(renderObject.state, newProps); } currentProps = newProps; currentTheme = newTheme; currentVolume = newVolume; currentKey = newKey; if (newGeometry) { geometry = newGeometry; geometryVersion += 1; } } function eachInstance(loci, volume, key, apply) { let changed = false; if (Volume.Cell.isLoci(loci)) { if (Volume.Cell.isLociEmpty(loci)) return false; if (!Volume.areEquivalent(loci.volume, volume)) return false; for (const { instances } of loci.elements) { OrderedSet.forEach(instances, j => { if (apply(Interval.ofSingleton(j))) changed = true; }); } } else if (Volume.Segment.isLoci(loci)) { if (Volume.Segment.isLociEmpty(loci)) return false; if (!Volume.areEquivalent(loci.volume, volume)) return false; for (const { segments, instances } of loci.elements) { if (OrderedSet.has(segments, key)) { OrderedSet.forEach(instances, j => { if (apply(Interval.ofSingleton(j))) changed = true; }); } } } else if (Volume.Isosurface.isLoci(loci)) { if (Volume.Isosurface.isLociEmpty(loci)) return false; if (Interval.is(loci.instances)) { if (apply(loci.instances)) changed = true; } else { for (let i = 0, il = loci.instances.length; i < il; ++i) { if (apply(Interval.ofSingleton(i))) changed = true; } } } else if (Volume.isLoci(loci)) { if (Volume.isLociEmpty(loci)) return false; if (Interval.is(loci.instances)) { if (apply(loci.instances)) changed = true; } else { for (let i = 0, il = loci.instances.length; i < il; ++i) { if (apply(Interval.ofSingleton(i))) changed = true; } } } return changed; } function lociApply(loci, apply) { if (isEveryLoci(loci)) { if (currentProps.instanceGranularity) { return apply(Interval.ofBounds(0, locationIt.instanceCount)); } else { return apply(Interval.ofBounds(0, locationIt.groupCount * locationIt.instanceCount)); } } else { if (currentProps.instanceGranularity) { return eachInstance(loci, currentVolume, currentKey, apply); } else { return eachLocation(loci, currentVolume, currentKey, currentProps, apply); } } } return { get groupCount() { return locationIt ? locationIt.count : 0; }, get renderObject() { return renderObject; }, get geometryVersion() { return geometryVersion; }, async createOrUpdate(ctx, theme, props = {}, volumeKey) { prepareUpdate(theme, props, (volumeKey === null || volumeKey === void 0 ? void 0 : volumeKey.volume) || currentVolume, (volumeKey === null || volumeKey === void 0 ? void 0 : volumeKey.key) || currentKey); if (updateState.createGeometry) { const newGeometry = createGeometry(ctx, newVolume, newKey, newTheme, newProps, geometry); return isPromiseLike(newGeometry) ? newGeometry.then(update) : update(newGeometry); } else { update(); } }, getLoci(pickingId) { return renderObject ? getLoci(pickingId, currentVolume, currentKey, currentProps, renderObject.id) : EmptyLoci; }, eachLocation(cb) { locationIt.reset(); while (locationIt.hasNext) { const { location, isSecondary } = locationIt.move(); cb(location, isSecondary); } }, mark(loci, action) { return Visual.mark(renderObject, loci, action, lociApply); }, setVisibility(visible) { Visual.setVisibility(renderObject, visible); }, setAlphaFactor(alphaFactor) { Visual.setAlphaFactor(renderObject, alphaFactor); }, setPickable(pickable) { Visual.setPickable(renderObject, pickable); }, setColorOnly(colorOnly) { Visual.setColorOnly(renderObject, colorOnly); }, setTransform(matrix, instanceMatrices) { Visual.setTransform(renderObject, matrix, instanceMatrices); }, setOverpaint(overpaint) { return Visual.setOverpaint(renderObject, overpaint, lociApply, true); }, setTransparency(transparency) { return Visual.setTransparency(renderObject, transparency, lociApply, true); }, setEmissive(emissive) { return Visual.setEmissive(renderObject, emissive, lociApply, true); }, setSubstance(substance) { return Visual.setSubstance(renderObject, substance, lociApply, true); }, setClipping(clipping) { return Visual.setClipping(renderObject, clipping, lociApply, true); }, setThemeStrength(strength) { Visual.setThemeStrength(renderObject, strength); }, destroy() { dispose === null || dispose === void 0 ? void 0 : dispose(geometry); if (renderObject) { renderObject.state.disposed = true; renderObject = undefined; } }, mustRecreate }; }