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molstar

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A comprehensive macromolecular library.

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"use strict"; /** * Copyright (c) 2018-2024 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> * @author Gianluca Tomasello <giagitom@gmail.com> */ Object.defineProperty(exports, "__esModule", { value: true }); exports.ComplexImageParams = exports.ComplexTextureMeshParams = exports.ComplexDirectVolumeParams = exports.ComplexTextParams = exports.ComplexLinesParams = exports.ComplexPointsParams = exports.ComplexCylindersParams = exports.ComplexSpheresParams = exports.ComplexMeshParams = void 0; exports.ComplexVisual = ComplexVisual; exports.ComplexMeshVisual = ComplexMeshVisual; exports.ComplexSpheresVisual = ComplexSpheresVisual; exports.ComplexCylindersVisual = ComplexCylindersVisual; exports.ComplexPointsVisual = ComplexPointsVisual; exports.ComplexLinesVisual = ComplexLinesVisual; exports.ComplexTextVisual = ComplexTextVisual; exports.ComplexDirectVolumeVisual = ComplexDirectVolumeVisual; exports.ComplexTextureMeshVisual = ComplexTextureMeshVisual; exports.ComplexImageVisual = ComplexImageVisual; const visual_1 = require("../visual"); const structure_1 = require("../../mol-model/structure"); const geometry_1 = require("../../mol-geo/geometry/geometry"); const theme_1 = require("../../mol-theme/theme"); const transform_data_1 = require("../../mol-geo/geometry/transform-data"); const render_object_1 = require("../../mol-gl/render-object"); const loci_1 = require("../../mol-model/loci"); const int_1 = require("../../mol-data/int"); const util_1 = require("../util"); const color_1 = require("../../mol-theme/color"); const mol_util_1 = require("../../mol-util"); const size_data_1 = require("../../mol-geo/geometry/size-data"); const color_data_1 = require("../../mol-geo/geometry/color-data"); const marker_action_1 = require("../../mol-util/marker-action"); const mesh_1 = require("../../mol-geo/geometry/mesh/mesh"); const cylinders_1 = require("../../mol-geo/geometry/cylinders/cylinders"); const lines_1 = require("../../mol-geo/geometry/lines/lines"); const text_1 = require("../../mol-geo/geometry/text/text"); const size_1 = require("../../mol-theme/size"); const direct_volume_1 = require("../../mol-geo/geometry/direct-volume/direct-volume"); const marker_data_1 = require("../../mol-geo/geometry/marker-data"); const params_1 = require("./params"); const texture_mesh_1 = require("../../mol-geo/geometry/texture-mesh/texture-mesh"); const type_helpers_1 = require("../../mol-util/type-helpers"); const spheres_1 = require("../../mol-geo/geometry/spheres/spheres"); const points_1 = require("../../mol-geo/geometry/points/points"); const image_1 = require("../../mol-geo/geometry/image/image"); function createComplexRenderObject(structure, geometry, locationIt, theme, props, materialId) { const { createValues, createRenderableState } = geometry_1.Geometry.getUtils(geometry); const transform = (0, transform_data_1.createIdentityTransform)(); const values = createValues(geometry, transform, locationIt, theme, props); const state = createRenderableState(props); return (0, render_object_1.createRenderObject)(geometry.kind, values, state, materialId); } function ComplexVisual(builder, materialId) { const { defaultProps, createGeometry, createLocationIterator, getLoci, eachLocation, setUpdateState, mustRecreate, processValues, dispose } = builder; const { updateValues, updateBoundingSphere, updateRenderableState, createPositionIterator } = builder.geometryUtils; const updateState = util_1.VisualUpdateState.create(); const previousMark = { loci: loci_1.EmptyLoci, action: marker_action_1.MarkerAction.None, status: -1 }; let renderObject; let newProps; let newTheme; let newStructure; let currentProps = Object.assign({}, defaultProps); let currentTheme = theme_1.Theme.createEmpty(); let currentStructure; let geometry; let geometryVersion = -1; let locationIt; let positionIt; function prepareUpdate(theme, props, structure) { if (!structure && !currentStructure) { throw new Error('missing structure'); } newProps = Object.assign({}, currentProps, props); newTheme = theme; newStructure = structure; util_1.VisualUpdateState.reset(updateState); if (!renderObject || !currentStructure) { updateState.createNew = true; updateState.createGeometry = true; return; } setUpdateState(updateState, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure); if (!structure_1.Structure.areEquivalent(newStructure, currentStructure)) { updateState.createGeometry = true; } if (!structure_1.Structure.areHierarchiesEqual(newStructure, currentStructure)) { updateState.updateTransform = true; updateState.createGeometry = true; } if (!color_1.ColorTheme.areEqual(theme.color, currentTheme.color)) { updateState.updateColor = true; } if (!size_1.SizeTheme.areEqual(theme.size, currentTheme.size)) { updateState.updateSize = true; } if (!(0, mol_util_1.deepEqual)(newProps.unitKinds, currentProps.unitKinds)) { updateState.createGeometry = true; } if (currentStructure.child !== newStructure.child) { // console.log('new child'); updateState.createGeometry = true; updateState.updateTransform = true; } if (newProps.instanceGranularity !== currentProps.instanceGranularity) { updateState.updateTransform = 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(newStructure, newProps); if (newGeometry) { renderObject = createComplexRenderObject(newStructure, 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) { // console.log('update locationIterator'); locationIt = createLocationIterator(newStructure, newProps); } if (updateState.updateTransform) { // console.log('update transform') const { instanceCount, groupCount } = locationIt; if (newProps.instanceGranularity) { (0, marker_data_1.createMarkers)(instanceCount, 'instance', renderObject.values); } else { (0, marker_data_1.createMarkers)(instanceCount * groupCount, 'groupInstance', renderObject.values); } } if (updateState.createGeometry) { if (newGeometry) { mol_util_1.ValueCell.updateIfChanged(renderObject.values.drawCount, geometry_1.Geometry.getDrawCount(newGeometry)); mol_util_1.ValueCell.updateIfChanged(renderObject.values.uVertexCount, geometry_1.Geometry.getVertexCount(newGeometry)); mol_util_1.ValueCell.updateIfChanged(renderObject.values.uGroupCount, geometry_1.Geometry.getGroupCount(newGeometry)); } else { throw new Error('expected geometry to be given'); } } if (updateState.updateTransform || updateState.createGeometry) { updateBoundingSphere(renderObject.values, newGeometry || geometry); positionIt = createPositionIterator(geometry, renderObject.values); } if (updateState.updateSize) { // not all geometries have size data, so check here if ('uSize' in renderObject.values) { (0, size_data_1.createSizes)(locationIt, newTheme.size, renderObject.values); } } if (updateState.updateColor) { (0, color_data_1.createColors)(locationIt, positionIt, newTheme.color, renderObject.values); } updateValues(renderObject.values, newProps); updateRenderableState(renderObject.state, newProps); } currentProps = newProps; currentTheme = newTheme; currentStructure = newStructure; if (newGeometry) { geometry = newGeometry; geometryVersion += 1; } } function lociIsSuperset(loci) { if ((0, loci_1.isEveryLoci)(loci)) return true; if (structure_1.Structure.isLoci(loci) && structure_1.Structure.areRootsEquivalent(loci.structure, currentStructure)) return true; if (structure_1.StructureElement.Loci.is(loci) && structure_1.Structure.areRootsEquivalent(loci.structure, currentStructure)) { if (structure_1.StructureElement.Loci.isWholeStructure(loci)) return true; } return false; } function eachInstance(loci, structure, apply) { let changed = false; if (!structure_1.StructureElement.Loci.is(loci) && !structure_1.Bond.isLoci(loci)) return false; if (!structure_1.Structure.areEquivalent(loci.structure, structure)) return false; if (apply(int_1.Interval.ofSingleton(0))) changed = true; return changed; } function lociApply(loci, apply, isMarking) { if (lociIsSuperset(loci)) { if (currentProps.instanceGranularity) { return apply(int_1.Interval.ofBounds(0, locationIt.instanceCount)); } else { return apply(int_1.Interval.ofBounds(0, locationIt.groupCount * locationIt.instanceCount)); } } else { if (currentProps.instanceGranularity) { return eachInstance(loci, currentStructure, apply); } else { return eachLocation(loci, currentStructure, apply, isMarking); } } } function finalize(ctx) { if (renderObject) { processValues === null || processValues === void 0 ? void 0 : processValues(renderObject.values, geometry, currentProps, currentTheme, ctx.webgl); } } return { get groupCount() { return locationIt ? locationIt.count : 0; }, get renderObject() { return locationIt && locationIt.count ? renderObject : undefined; }, get geometryVersion() { return geometryVersion; }, createOrUpdate(ctx, theme, props = {}, structure) { prepareUpdate(theme, props, structure || currentStructure); if (updateState.createGeometry) { const newGeometry = createGeometry(ctx, newStructure, newTheme, newProps, geometry); if ((0, type_helpers_1.isPromiseLike)(newGeometry)) { return newGeometry.then(g => { update(g); finalize(ctx); }); } update(newGeometry); } else { update(); } finalize(ctx); }, getLoci(pickingId) { return renderObject ? getLoci(pickingId, currentStructure, renderObject.id) : loci_1.EmptyLoci; }, eachLocation(cb) { locationIt.reset(); while (locationIt.hasNext) { const { location, isSecondary } = locationIt.move(); cb(location, isSecondary); } }, mark(loci, action) { return visual_1.Visual.mark(renderObject, loci, action, lociApply, previousMark); }, setVisibility(visible) { visual_1.Visual.setVisibility(renderObject, visible); }, setAlphaFactor(alphaFactor) { visual_1.Visual.setAlphaFactor(renderObject, alphaFactor); }, setPickable(pickable) { visual_1.Visual.setPickable(renderObject, pickable); }, setColorOnly(colorOnly) { visual_1.Visual.setColorOnly(renderObject, colorOnly); }, setTransform(matrix, instanceMatrices) { visual_1.Visual.setTransform(renderObject, matrix, instanceMatrices); }, setOverpaint(overpaint, webgl) { const smoothing = { geometry, props: currentProps, webgl }; visual_1.Visual.setOverpaint(renderObject, overpaint, lociApply, true, smoothing); }, setTransparency(transparency, webgl) { const smoothing = { geometry, props: currentProps, webgl }; visual_1.Visual.setTransparency(renderObject, transparency, lociApply, true, smoothing); }, setEmissive(emissive, webgl) { const smoothing = { geometry, props: currentProps, webgl }; visual_1.Visual.setEmissive(renderObject, emissive, lociApply, true, smoothing); }, setSubstance(substance, webgl) { const smoothing = { geometry, props: currentProps, webgl }; visual_1.Visual.setSubstance(renderObject, substance, lociApply, true, smoothing); }, setClipping(clipping) { visual_1.Visual.setClipping(renderObject, clipping, lociApply, true); }, setThemeStrength(strength) { visual_1.Visual.setThemeStrength(renderObject, strength); }, destroy() { dispose === null || dispose === void 0 ? void 0 : dispose(geometry); if (renderObject) { renderObject.state.disposed = true; renderObject = undefined; } }, mustRecreate }; } // mesh exports.ComplexMeshParams = { ...params_1.StructureMeshParams, ...params_1.StructureParams }; function ComplexMeshVisual(builder, materialId) { return ComplexVisual({ ...builder, setUpdateState: (state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure) => { builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure); if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size)) state.createGeometry = true; }, geometryUtils: mesh_1.Mesh.Utils }, materialId); } // spheres exports.ComplexSpheresParams = { ...params_1.StructureSpheresParams, ...params_1.StructureParams }; function ComplexSpheresVisual(builder, materialId) { return ComplexVisual({ ...builder, setUpdateState: (state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure) => { builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure); if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size)) state.updateSize = true; }, geometryUtils: spheres_1.Spheres.Utils }, materialId); } // cylinders exports.ComplexCylindersParams = { ...params_1.StructureCylindersParams, ...params_1.StructureParams }; function ComplexCylindersVisual(builder, materialId) { return ComplexVisual({ ...builder, setUpdateState: (state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure) => { builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure); if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size)) state.updateSize = true; }, geometryUtils: cylinders_1.Cylinders.Utils }, materialId); } // points exports.ComplexPointsParams = { ...params_1.StructurePointsParams, ...params_1.StructureParams }; function ComplexPointsVisual(builder, materialId) { return ComplexVisual({ ...builder, setUpdateState: (state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure) => { builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure); if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size)) state.updateSize = true; }, geometryUtils: points_1.Points.Utils }, materialId); } // lines exports.ComplexLinesParams = { ...params_1.StructureLinesParams, ...params_1.StructureParams }; function ComplexLinesVisual(builder, materialId) { return ComplexVisual({ ...builder, setUpdateState: (state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure) => { builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure); if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size)) state.updateSize = true; }, geometryUtils: lines_1.Lines.Utils }, materialId); } // text exports.ComplexTextParams = { ...params_1.StructureTextParams, ...params_1.StructureParams }; function ComplexTextVisual(builder, materialId) { return ComplexVisual({ ...builder, setUpdateState: (state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure) => { builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure); if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size)) state.updateSize = true; if (newProps.background !== currentProps.background) state.createGeometry = true; if (newProps.backgroundMargin !== currentProps.backgroundMargin) state.createGeometry = true; if (newProps.tether !== currentProps.tether) state.createGeometry = true; if (newProps.tetherLength !== currentProps.tetherLength) state.createGeometry = true; if (newProps.tetherBaseWidth !== currentProps.tetherBaseWidth) state.createGeometry = true; if (newProps.attachment !== currentProps.attachment) state.createGeometry = true; if (newProps.fontFamily !== currentProps.fontFamily) state.createGeometry = true; if (newProps.fontQuality !== currentProps.fontQuality) state.createGeometry = true; if (newProps.fontStyle !== currentProps.fontStyle) state.createGeometry = true; if (newProps.fontVariant !== currentProps.fontVariant) state.createGeometry = true; if (newProps.fontWeight !== currentProps.fontWeight) state.createGeometry = true; }, geometryUtils: text_1.Text.Utils }, materialId); } // direct-volume exports.ComplexDirectVolumeParams = { ...params_1.StructureDirectVolumeParams, ...params_1.StructureParams }; function ComplexDirectVolumeVisual(builder, materialId) { return ComplexVisual({ ...builder, setUpdateState: (state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure) => { builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure); if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size)) state.createGeometry = true; }, geometryUtils: direct_volume_1.DirectVolume.Utils }, materialId); } // texture-mesh exports.ComplexTextureMeshParams = { ...params_1.StructureTextureMeshParams, ...params_1.StructureParams }; function ComplexTextureMeshVisual(builder, materialId) { return ComplexVisual({ ...builder, setUpdateState: (state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure) => { builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure); if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size)) state.createGeometry = true; }, geometryUtils: texture_mesh_1.TextureMesh.Utils }, materialId); } // image exports.ComplexImageParams = { ...params_1.StructureImageParams, ...params_1.StructureParams }; function ComplexImageVisual(builder, materialId) { return ComplexVisual({ ...builder, setUpdateState: (state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure) => { builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructure, currentStructure); if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size)) state.createGeometry = true; }, geometryUtils: image_1.Image.Utils }, materialId); }