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molstar

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A comprehensive macromolecular library.

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/** * Copyright (c) 2017-2024 mol* contributors, licensed under MIT, See LICENSE file for more info. * * Adapted from CIFTools.js (https://github.com/dsehnal/CIFTools.js) * * @author David Sehnal <david.sehnal@gmail.com> */ import { Column } from '../../../../mol-data/db'; import { encodeMsgPack } from '../../../common/msgpack/encode'; import { ArrayEncoder, ArrayEncoding as E, VERSION } from '../../../common/binary-cif'; import { Field, Category } from '../encoder'; import { getIncludedFields, getCategoryInstanceData } from './util'; import { classifyIntArray, classifyFloatArray } from '../../../common/binary-cif/classifier'; export class BinaryEncoder { setFilter(filter) { this.filter = filter || Category.DefaultFilter; } isCategoryIncluded(name) { return this.filter.includeCategory(name); } setFormatter(formatter) { this.formatter = formatter || Category.DefaultFormatter; } startDataBlock(header) { this.dataBlocks.push({ header: (header || '').replace(/[ \n\t]/g, '').toUpperCase(), categories: [] }); } writeCategory(category, context, options) { if (!this.data) { throw new Error('The writer contents have already been encoded, no more writing.'); } if (!this.dataBlocks.length) { throw new Error('No data block created.'); } if (!(options === null || options === void 0 ? void 0 : options.ignoreFilter) && !this.filter.includeCategory(category.name)) return; const { instance, rowCount, source } = getCategoryInstanceData(category, context); if (!rowCount) return; const cat = { name: '_' + category.name, columns: [], rowCount }; const fields = getIncludedFields(instance); for (const f of fields) { if (!this.filter.includeField(category.name, f.name)) continue; const format = this.formatter.getFormat(category.name, f.name); cat.columns.push(encodeField(category.name, f, source, rowCount, format, this.binaryEncodingProvider, this.autoClassify)); } // no columns included. if (!cat.columns.length) return; this.dataBlocks[this.dataBlocks.length - 1].categories.push(cat); } encode() { if (this.encodedData) return; this.encodedData = encodeMsgPack(this.data); this.data = null; this.dataBlocks = null; } writeTo(writer) { writer.writeBinary(this.encodedData); } getData() { this.encode(); return this.encodedData; } getSize() { return this.encodedData.length; } constructor(encoder, encodingProvider, autoClassify) { this.autoClassify = autoClassify; this.dataBlocks = []; this.filter = Category.DefaultFilter; this.formatter = Category.DefaultFormatter; this.isBinary = true; this.binaryEncodingProvider = void 0; this.binaryEncodingProvider = encodingProvider; this.data = { encoder, version: VERSION, dataBlocks: this.dataBlocks }; } } function getArrayCtor(field, format) { if (format && format.typedArray) return format.typedArray; if (field.defaultFormat && field.defaultFormat.typedArray) return field.defaultFormat.typedArray; if (field.type === Field.Type.Str) return Array; if (field.type === Field.Type.Int) return Int32Array; return Float64Array; } function getDefaultEncoder(type) { if (type === Field.Type.Str) return ArrayEncoder.by(E.stringArray); return ArrayEncoder.by(E.byteArray); } function tryGetEncoder(categoryName, field, format, provider) { if (format && format.encoder) { return format.encoder; } else if (field.defaultFormat && field.defaultFormat.encoder) { return field.defaultFormat.encoder; } else if (provider) { return provider.get(categoryName, field.name); } else { return void 0; } } function classify(type, data) { if (type === Field.Type.Str) return ArrayEncoder.by(E.stringArray); if (type === Field.Type.Int) return classifyIntArray(data); return classifyFloatArray(data); } function encodeField(categoryName, field, data, totalCount, format, encoderProvider, autoClassify) { const { array, allPresent, mask } = getFieldData(field, getArrayCtor(field, format), totalCount, data); let encoder; if (field.type === Field.Type.Str) { // Force string array encoding if field type is str to prevent conflicts between // encoderProvider (determined by automatic classifier) and field type comming from a CIF schema encoder = ArrayEncoder.by(E.stringArray); } else { encoder = tryGetEncoder(categoryName, field, format, encoderProvider); } if (!encoder) { if (autoClassify) encoder = classify(field.type, array); else encoder = getDefaultEncoder(field.type); } const encoded = encoder.encode(array); let maskData = void 0; if (!allPresent) { const maskRLE = ArrayEncoder.by(E.runLength).and(E.byteArray).encode(mask); if (maskRLE.data.length < mask.length) { maskData = maskRLE; } else { maskData = ArrayEncoder.by(E.byteArray).encode(mask); } } return { name: field.name, data: encoded, mask: maskData }; } function getFieldData(field, arrayCtor, totalCount, data) { const isStr = field.type === Field.Type.Str; const array = new arrayCtor(totalCount); const mask = new Uint8Array(totalCount); const valueKind = field.valueKind; const getter = field.value; let allPresent = true; let offset = 0; for (let _d = 0; _d < data.length; _d++) { const d = data[_d].data; const keys = data[_d].keys(); while (keys.hasNext) { const key = keys.move(); const p = valueKind ? valueKind(key, d) : Column.ValueKinds.Present; if (p !== Column.ValueKinds.Present) { mask[offset] = p; if (isStr) array[offset] = ''; allPresent = false; } else { const value = getter(key, d, offset); if (typeof value === 'string' && !value) { mask[offset] = Column.ValueKinds.NotPresent; allPresent = false; } else { mask[offset] = Column.ValueKinds.Present; } array[offset] = value; } offset++; } } return { array, allPresent, mask }; }