diff --git a/package.json b/package.json
index d114fb55c4e7fd6f88bbcd99f6ba5450dd07b5c0..5d21cb7dd83fe100854134ca400c72d678804124 100644
--- a/package.json
+++ b/package.json
@@ -21,6 +21,8 @@
"watch-viewer": "webpack build/node_modules/apps/viewer/index.js -w --mode development -o build/viewer/index.js",
"build-canvas": "webpack build/node_modules/apps/canvas/index.js --mode development -o build/canvas/index.js",
"watch-canvas": "webpack build/node_modules/apps/canvas/index.js -w --mode development -o build/canvas/index.js",
+ "build-ms-query": "webpack build/node_modules/apps/model-server-query/index.js --mode development -o build/model-server-query/index.js",
+ "watch-ms-query": "webpack build/node_modules/apps/model-server-query/index.js -w --mode development -o build/model-server-query/index.js",
"model-server": "node build/node_modules/servers/model/server.js",
"model-server-watch": "nodemon --watch build/node_modules build/node_modules/servers/model/server.js"
},
diff --git a/src/apps/model-server-query/index.html b/src/apps/model-server-query/index.html
new file mode 100644
index 0000000000000000000000000000000000000000..4a77ef8a04b5c276c2bf0012e3628bd11a49daa7
--- /dev/null
+++ b/src/apps/model-server-query/index.html
@@ -0,0 +1,12 @@
+<!DOCTYPE html>
+<html lang="en">
+ <head>
+ <meta charset="utf-8" />
+ <meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
+ <title>Mol* ModelServer Query Builder</title>
+ </head>
+ <body>
+ <div id="app"></div>
+ <script type="text/javascript" src="./index.js"></script>
+ </body>
+</html>
\ No newline at end of file
diff --git a/src/apps/model-server-query/index.tsx b/src/apps/model-server-query/index.tsx
new file mode 100644
index 0000000000000000000000000000000000000000..5df577f40cd62875738e4c136687279d2b835949
--- /dev/null
+++ b/src/apps/model-server-query/index.tsx
@@ -0,0 +1,113 @@
+/**
+ * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author David Sehnal <david.sehnal@gmail.com>
+ */
+
+import * as React from 'react'
+import * as ReactDOM from 'react-dom'
+import * as Rx from 'rxjs'
+
+import { QueryDefinition, QueryList } from '../../servers/model/server/api'
+
+import './index.html'
+
+interface State {
+ query: Rx.BehaviorSubject<QueryDefinition>,
+ id: Rx.BehaviorSubject<string>,
+ params: Rx.BehaviorSubject<any>,
+ isBinary: Rx.BehaviorSubject<boolean>,
+ models: Rx.BehaviorSubject<number[]>,
+ url: Rx.Subject<string>
+}
+
+class Root extends React.Component<{ state: State }, { }> {
+ parseParams(str: string) {
+ try {
+ const params = JSON.parse(str);
+ this.props.state.params.next(params);
+ } catch {
+ this.props.state.params.next({});
+ }
+ }
+
+ render() {
+ return <div>
+ <div>
+ Query: <QuerySelect state={this.props.state} />
+ </div>
+ <div>
+ ID: <input type='text' onChange={t => this.props.state.id.next(t.currentTarget.value)} />
+ </div>
+ <div>
+ Params:<br/>
+ <textarea style={{height: '300px'}} cols={80} onChange={t => this.parseParams(t.currentTarget.value)} />
+ </div>
+ <div>
+ Model numbers (empty for all): <ModelNums state={this.props.state} />
+ </div>
+ <div>
+ <input type='checkbox' onChange={t => this.props.state.isBinary.next(!!t.currentTarget.checked)} /> Binary
+ </div>
+ <div>
+ Query string:
+ <QueryUrl state={this.props.state} />
+ </div>
+ </div>
+ }
+}
+
+class QuerySelect extends React.Component<{ state: State }> {
+ render() {
+ return <select onChange={s => this.props.state.query.next(QueryList[+s.currentTarget.value].definition)}>
+ { QueryList.map((q, i) => <option value={i} key={i} selected={i === 1}>{q.definition.niceName}</option>) }
+ </select>
+ }
+}
+
+class QueryUrl extends React.Component<{ state: State }, { queryString: string }> {
+ state = { queryString: '' };
+
+ componentDidMount() {
+ this.props.state.url.subscribe(url => this.setState({ queryString: url }))
+ }
+
+ render() {
+ return <input type='text' value={this.state.queryString} style={{ width: '800px' }} />
+ }
+}
+
+class ModelNums extends React.Component<{ state: State }> {
+ render() {
+ return <input type='text' defaultValue='1' style={{ width: '300px' }} onChange={t =>
+ this.props.state.models.next(t.currentTarget.value.split(',')
+ .map(v => v.trim())
+ .filter(v => !!v)
+ .map(v => +v)
+ )} />
+ }
+}
+
+const state: State = {
+ query: new Rx.BehaviorSubject(QueryList[1].definition),
+ id: new Rx.BehaviorSubject('1cbs'),
+ params: new Rx.BehaviorSubject({ }),
+ isBinary: new Rx.BehaviorSubject(false),
+ models: new Rx.BehaviorSubject<number[]>([]),
+ url: new Rx.Subject()
+}
+
+function formatUrl() {
+ const json = JSON.stringify({
+ name: state.query.value.name,
+ id: state.id.value,
+ modelNums: state.models.value.length ? state.models.value : void 0,
+ binary: state.isBinary.value,
+ params: state.params.value
+ });
+ state.url.next(encodeURIComponent(json));
+}
+
+Rx.merge(state.query, state.id, state.params, state.isBinary, state.models).subscribe(s => formatUrl());
+
+ReactDOM.render(<Root state={state} />, document.getElementById('app'));
diff --git a/src/servers/model/server/api-local.ts b/src/servers/model/server/api-local.ts
index be895be820fb3e555e2ce36e9c84364c663403d8..27c9f4250a5ce18d38391889cfe8034dbe259b2b 100644
--- a/src/servers/model/server/api-local.ts
+++ b/src/servers/model/server/api-local.ts
@@ -17,6 +17,7 @@ export type LocalInput = {
input: string,
output: string,
query: string,
+ modelNums?: number[],
params?: any
}[];
@@ -27,7 +28,7 @@ export async function runLocal(input: LocalInput) {
}
for (const job of input) {
- JobManager.add('_local_', job.input, job.query, job.params || { }, job.output);
+ JobManager.add('_local_', job.input, job.query, job.params || { }, job.modelNums, job.output);
}
JobManager.sort();
diff --git a/src/servers/model/server/api-web.ts b/src/servers/model/server/api-web.ts
index 93332c55f5dbc1d579a8b00ab28b4201044337e0..2e80b9eb09d31abf6d5bff986fbf449445229279 100644
--- a/src/servers/model/server/api-web.ts
+++ b/src/servers/model/server/api-web.ts
@@ -103,7 +103,7 @@ export function initWebApi(app: express.Express) {
const name = args.name;
const entryId = args.id;
const params = args.params || { };
- const jobId = JobManager.add('pdb', entryId, name, params);
+ const jobId = JobManager.add('pdb', entryId, name, params, args.modelNums);
responseMap.set(jobId, res);
if (JobManager.size === 1) processNextJob();
});
diff --git a/src/servers/model/server/api.ts b/src/servers/model/server/api.ts
index 93504ed29051832428fcb743039640d958577003..3416436db0a5aaa26452114383fdbc13c86ed700 100644
--- a/src/servers/model/server/api.ts
+++ b/src/servers/model/server/api.ts
@@ -88,7 +88,7 @@ const QueryMap: { [id: string]: Partial<QueryDefinition> } = {
description: 'Computes structural assembly.',
query: () => Queries.generators.all,
structureTransform(p, s) {
- return StructureSymmetry.buildAssembly(s, '' + p.name).run();
+ return StructureSymmetry.buildAssembly(s, '' + (p.name || '1')).run();
},
params: [{
name: 'name',
diff --git a/src/servers/model/server/jobs.ts b/src/servers/model/server/jobs.ts
index 8791d26b101074bf32ded4a5e837eff91e954af1..f2c77d77dfb86f923ca9080c8c53af7921970d06 100644
--- a/src/servers/model/server/jobs.ts
+++ b/src/servers/model/server/jobs.ts
@@ -23,11 +23,12 @@ export interface Job {
queryDefinition: QueryDefinition,
normalizedParams: any,
responseFormat: ResponseFormat,
+ modelNums?: number[],
outputFilename?: string
}
-export function createJob(sourceId: '_local_' | string, entryId: string, queryName: string, params: any, outputFilename?: string): Job {
+export function createJob(sourceId: '_local_' | string, entryId: string, queryName: string, params: any, modelNums?: number[], outputFilename?: string): Job {
const queryDefinition = getQueryByName(queryName);
if (!queryDefinition) throw new Error(`Query '${queryName}' is not supported.`);
@@ -42,6 +43,7 @@ export function createJob(sourceId: '_local_' | string, entryId: string, queryNa
queryDefinition,
normalizedParams,
responseFormat: { isBinary: !!params.binary },
+ modelNums,
outputFilename
};
}
@@ -53,8 +55,8 @@ class _JobQueue {
return this.list.count;
}
- add(sourceId: '_local_' | string, entryId: string, queryName: string, params: any, outputFilename?: string) {
- const job = createJob(sourceId, entryId, queryName, params, outputFilename);
+ add(sourceId: '_local_' | string, entryId: string, queryName: string, params: any, modelNums?: number[], outputFilename?: string) {
+ const job = createJob(sourceId, entryId, queryName, params, modelNums, outputFilename);
this.list.addLast(job);
return job.id;
}
diff --git a/src/servers/model/server/query.ts b/src/servers/model/server/query.ts
index ee5391e0c513558ba3c37c98335aae02c7c902e1..09603e183fe2dc7a19481a70f01b61749e69e5cf 100644
--- a/src/servers/model/server/query.ts
+++ b/src/servers/model/server/query.ts
@@ -40,7 +40,7 @@ export async function resolveJob(job: Job): Promise<CifWriter.Encoder<any>> {
try {
perf.start('query');
- const sourceStructures = await resolveStructures(wrappedStructure);
+ const sourceStructures = await resolveStructures(wrappedStructure, job.modelNums);
if (!sourceStructures.length) throw new Error('Model not available');
let structures: Structure[] = sourceStructures;