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molstar

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A comprehensive macromolecular library.

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/** * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author David Sehnal <david.sehnal@gmail.com> */ import { StructureSelection } from '../selection'; import { none } from './generators'; import { HashSet } from '../../../../mol-data/generic'; import { Structure } from '../../structure'; export function merge(queries) { if (queries.length === 0) { return none; } else if (queries.length === 1) { return queries[0]; } return ctx => { const ret = StructureSelection.UniqueBuilder(ctx.inputStructure); for (let i = 0; i < queries.length; i++) { StructureSelection.forEach(queries[i](ctx), (s, j) => { ret.add(s); if (i % 100) ctx.throwIfTimedOut(); }); } return ret.getSelection(); }; } export function intersect(queries) { if (queries.length === 0) { return none; } else if (queries.length === 1) { return queries[0]; } return ctx => { const selections = []; for (let i = 0; i < queries.length; i++) selections.push(queries[i](ctx)); let pivotIndex = 0, pivotLength = StructureSelection.structureCount(selections[0]); for (let i = 1; i < selections.length; i++) { const len = StructureSelection.structureCount(selections[i]); if (len < pivotLength) { pivotIndex = i; pivotLength = len; } } ctx.throwIfTimedOut(); const pivotSet = HashSet(s => s.hashCode, Structure.areUnitIdsAndIndicesEqual); StructureSelection.forEach(selections[pivotIndex], s => pivotSet.add(s)); const ret = StructureSelection.UniqueBuilder(ctx.inputStructure); for (let pI = 0; pI < selections.length; pI++) { if (pI === pivotIndex) continue; StructureSelection.forEach(selections[pI], s => { if (pivotSet.has(s)) ret.add(s); }); ctx.throwIfTimedOut(); } return ret.getSelection(); }; } // TODO: distanceCluster