/** * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author David Sehnal */ import { Column } from 'mol-data/db'; import { CifWriter } from 'mol-io/writer/cif'; import Writer from 'mol-io/writer/writer'; import { StructureQuery, StructureSelection } from 'mol-model/structure'; import { encode_mmCIF_categories } from 'mol-model/structure/export/mmcif'; import { now, Progress } from 'mol-task'; import { ConsoleLogger } from 'mol-util/console-logger'; import { PerformanceMonitor } from 'mol-util/performance-monitor'; import Config from '../config'; import Version from '../version'; import { Job } from './jobs'; import { getStructure, StructureWrapper } from './structure-wrapper'; import CifField = CifWriter.Field export interface Stats { structure: StructureWrapper, queryTimeMs: number, encodeTimeMs: number } const perf = new PerformanceMonitor(); export async function resolveJob(job: Job, writer: Writer) { ConsoleLogger.logId(job.id, 'Query', 'Starting.'); const wrappedStructure = await getStructure(job); perf.start('query'); const structure = job.queryDefinition.structureTransform ? await job.queryDefinition.structureTransform(job.normalizedParams, wrappedStructure.structure) : wrappedStructure.structure; const query = job.queryDefinition.query(job.normalizedParams, structure); const result = StructureSelection.unionStructure(StructureQuery.run1(query, structure)); perf.end('query'); ConsoleLogger.logId(job.id, 'Query', 'Query finished.'); const encoder = CifWriter.createEncoder({ binary: job.responseFormat.isBinary, encoderName: `ModelServer ${Version}` }); perf.start('encode'); encoder.startDataBlock(structure.units[0].model.label.toUpperCase()); encoder.writeCategory(_model_server_result, [job]); encoder.writeCategory(_model_server_params, [job]); // encoder.setFilter(mmCIF_Export_Filters.onlyPositions); encode_mmCIF_categories(encoder, result); // encoder.setFilter(); perf.end('encode'); ConsoleLogger.logId(job.id, 'Query', 'Encoded.'); const stats: Stats = { structure: wrappedStructure, queryTimeMs: perf.time('query'), encodeTimeMs: perf.time('encode') }; encoder.writeCategory(_model_server_stats, [stats]); encoder.encode(); encoder.writeTo(writer); ConsoleLogger.logId(job.id, 'Query', 'Written.'); } const maxTime = Config.maxQueryTimeInMs; export function abortingObserver(p: Progress) { if (now() - p.root.progress.startedTime > maxTime) { p.requestAbort(`Exceeded maximum allowed time for a query (${maxTime}ms)`); } } function string(name: string, str: (data: T, i: number) => string, isSpecified?: (data: T) => boolean): CifField { if (isSpecified) { return CifField.str(name, (i, d) => str(d, i), { valueKind: (i, d) => isSpecified(d) ? Column.ValueKind.Present : Column.ValueKind.NotPresent }); } return CifField.str(name, (i, d) => str(d, i)); } function int32(name: string, value: (data: T) => number): CifField { return CifField.int(name, (i, d) => value(d)); } const _model_server_result_fields: CifField[] = [ string('job_id', ctx => '' + ctx.id), string('datetime_utc', ctx => ctx.datetime_utc), string('server_version', ctx => Version), string('query_name', ctx => ctx.queryDefinition.name), string('source_id', ctx => ctx.sourceId), string('entry_id', ctx => ctx.entryId), ]; const _model_server_params_fields: CifField[] = [ string('name', (ctx, i) => ctx[i][0]), string('value', (ctx, i) => ctx[i][1]) ]; const _model_server_stats_fields: CifField[] = [ int32('io_time_ms', ctx => ctx.structure.info.readTime | 0), int32('parse_time_ms', ctx => ctx.structure.info.parseTime | 0), int32('create_model_time_ms', ctx => ctx.structure.info.createModelTime | 0), int32('query_time_ms', ctx => ctx.queryTimeMs | 0), int32('encode_time_ms', ctx => ctx.encodeTimeMs | 0) ]; const _model_server_result: CifWriter.Category = { name: 'model_server_result', instance: (job) => ({ data: job, fields: _model_server_result_fields, rowCount: 1 }) }; const _model_server_params: CifWriter.Category = { name: 'model_server_params', instance(job) { const params: string[][] = []; for (const k of Object.keys(job.normalizedParams)) { params.push([k, '' + job.normalizedParams[k]]); } return { data: params, fields: _model_server_params_fields, rowCount: params.length } } }; const _model_server_stats: CifWriter.Category = { name: 'model_server_stats', instance: (stats) => ({ data: stats, fields: _model_server_stats_fields, rowCount: 1 }) }