diff --git a/.github/workflows/lint.yml b/.github/workflows/lint.yml index 1bc731b6..18caa6dc 100644 --- a/.github/workflows/lint.yml +++ b/.github/workflows/lint.yml @@ -5,10 +5,12 @@ on: [push] jobs: lint: runs-on: ubuntu-latest - + steps: - uses: actions/checkout@v1 - - uses: actions/setup-node@v1 + - uses: actions/setup-node@v2 + with: + node-version: 16 - name: Cache node modules uses: actions/cache@v1 with: diff --git a/link_with_web_components_watch.js b/link_with_web_components_watch.js index 608a169f..cf9aeb2b 100644 --- a/link_with_web_components_watch.js +++ b/link_with_web_components_watch.js @@ -10,7 +10,8 @@ const chokidar = require('chokidar'); const fs = require('fs'); const path = require('path'); -const directory = './../unipept-web-components/dist' +const distDirectory = './../unipept-web-components/dist' +const typesDirectory = './../unipept-web-components/types'; const errHandler = function(err) { if (err) { @@ -21,7 +22,7 @@ const errHandler = function(err) { console.log("Watching file system for changes..."); // Watch for changes to the web components directory. -chokidar.watch(directory).on('all', (event, currentPath) => { +chokidar.watch(distDirectory).on('all', (event, currentPath) => { if (!currentPath.includes('/node_modules') && !currentPath.includes('/.git')) { const filteredPath = currentPath.replace('../unipept-web-components', './node_modules/unipept-web-components'); const directory = path.dirname(filteredPath); @@ -40,3 +41,21 @@ chokidar.watch(directory).on('all', (event, currentPath) => { console.log(event, currentPath); } }); + +chokidar.watch(typesDirectory).on('all', (event, currentPath) => { + const filteredPath = currentPath.replace('../unipept-web-components', './node_modules/unipept-web-components'); + const directory = path.dirname(filteredPath); + switch(event) { + case 'add': + fs.mkdirSync(directory, { recursive: true }, errHandler); + fs.copyFile(currentPath, filteredPath, errHandler); + break; + case 'change': + fs.copyFile(currentPath, filteredPath, errHandler); + break; + case 'unlink': + fs.unlink(filteredPath, errHandler); + break; + } + console.log(event, currentPath); +}); diff --git a/package-lock.json b/package-lock.json index 5bcd371f..314045a9 100644 --- a/package-lock.json +++ b/package-lock.json @@ -1,16 +1,17 @@ { "name": "unipept-desktop", - "version": "1.2.1", + "version": "1.2.2", "lockfileVersion": 2, "requires": true, "packages": { "": { - "version": "1.2.1", + "version": "1.2.2", "hasInstallScript": true, "dependencies": { "@babel/preset-env": "^7.6.0", "@types/async": "^3.2.3", "@types/better-sqlite3": "^5.4.0", + "@types/dockerode": "^3.2.3", "@types/electron-devtools-installer": "^2.2.0", "@types/follow-redirects": "^1.13.0", "@types/marked": "^2.0.2", @@ -25,6 +26,7 @@ "better-sqlite3": "^7.1.2", "chokidar": "^3.3.1", "core-js": "^2.6.9", + "dockerode": "^3.3.0", "electron-devtools-installer": "^3.1.1", "electron-log": "^4.2.2", "electron-updater": "4.3.4", @@ -35,8 +37,8 @@ "marked": "^2.0.3", "node-abi": "^2.19.3", "regenerator-runtime": "^0.13.3", - "shared-memory-datastructures": "0.1.8", - "unipept-web-components": "^1.4.3", + "shared-memory-datastructures": "0.1.9", + "unipept-web-components": "^1.5.0", "uuid": "^7.0.3", "vue": "^2.6.12", "vue-class-component": "^7.1.0", @@ -44,7 +46,7 @@ "vue-property-decorator": "^8.2.2", "vue-router": "^3.1.3", "vue-styleguidist": "^4.2.3", - "vuetify": "^2.1.1", + "vuetify": "^2.5.8", "vuex": "^3.1.1", "whatwg-fetch": "^3.0.0", "yauzl": "^2.10.0" @@ -79,13 +81,12 @@ "vue-cli-plugin-styleguidist": "^4.2.3", "vue-cli-plugin-vuetify": "^0.6.3", "vue-template-compiler": "^2.6.12", - "vuetify-loader": "^1.2.2", + "vuetify-loader": "^1.7.3", "worker-loader": "^3.0.2" } }, "node_modules/@babel/code-frame": { "version": "7.10.4", - "resolved": "https://registry.npmjs.org/@babel/code-frame/-/code-frame-7.10.4.tgz", "integrity": "sha512-vG6SvB6oYEhvgisZNFRmRCUkLz11c7rp+tbNTynGqc6mS1d5ATd/sGyV6W0KZZnXRKMTzZDRgQT3Ou9jhpAfUg==", "dependencies": { "@babel/highlight": "^7.10.4" @@ -93,12 +94,10 @@ }, "node_modules/@babel/compat-data": { "version": "7.12.7", - "resolved": "https://registry.npmjs.org/@babel/compat-data/-/compat-data-7.12.7.tgz", "integrity": "sha512-YaxPMGs/XIWtYqrdEOZOCPsVWfEoriXopnsz3/i7apYPXQ3698UFhS6dVT1KN5qOsWmVgw/FOrmQgpRaZayGsw==" }, "node_modules/@babel/core": { "version": "7.12.9", - "resolved": "https://registry.npmjs.org/@babel/core/-/core-7.12.9.tgz", "integrity": "sha512-gTXYh3M5wb7FRXQy+FErKFAv90BnlOuNn1QkCK2lREoPAjrQCO49+HVSrFoe5uakFAF5eenS75KbO2vQiLrTMQ==", "dependencies": { "@babel/code-frame": "^7.10.4", @@ -120,11 +119,14 @@ }, "engines": { "node": ">=6.9.0" + }, + "funding": { + "type": "opencollective", + "url": "https://opencollective.com/babel" } }, "node_modules/@babel/core/node_modules/json5": { "version": "2.1.3", - 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"resolved": "https://registry.npmjs.org/yauzl/-/yauzl-2.10.0.tgz", "integrity": "sha1-x+sXyT4RLLEIb6bY5R+wZnt5pfk=", "requires": { "buffer-crc32": "~0.2.3", @@ -43775,12 +40426,10 @@ }, "yocto-queue": { "version": "0.1.0", - "resolved": "https://registry.npmjs.org/yocto-queue/-/yocto-queue-0.1.0.tgz", "integrity": "sha512-rVksvsnNCdJ/ohGc6xgPwyN8eheCxsiLM8mxuE/t/mOVqJewPuO1miLpTHQiRgTKCLexL4MeAFVagts7HmNZ2Q==" }, "yorkie": { "version": "2.0.0", - "resolved": "https://registry.npmjs.org/yorkie/-/yorkie-2.0.0.tgz", "integrity": "sha512-jcKpkthap6x63MB4TxwCyuIGkV0oYP/YRyuQU5UO0Yz/E/ZAu+653/uov+phdmO54n6BcvFRyyt0RRrWdN2mpw==", "dev": true, "requires": { @@ -43792,7 +40441,6 @@ "dependencies": { "cross-spawn": { "version": "5.1.0", - "resolved": "https://registry.npmjs.org/cross-spawn/-/cross-spawn-5.1.0.tgz", "integrity": "sha1-6L0O/uWPz/b4+UUQoKVUu/ojVEk=", "dev": true, "requires": { @@ -43803,7 +40451,6 @@ }, "execa": { "version": "0.8.0", - "resolved": "https://registry.npmjs.org/execa/-/execa-0.8.0.tgz", "integrity": "sha1-2NdrvBtVIX7RkP1t1J08d07PyNo=", "dev": true, "requires": { @@ -43818,19 +40465,16 @@ }, "get-stream": { "version": "3.0.0", - "resolved": "https://registry.npmjs.org/get-stream/-/get-stream-3.0.0.tgz", "integrity": "sha1-jpQ9E1jcN1VQVOy+LtsFqhdO3hQ=", "dev": true }, "normalize-path": { "version": "1.0.0", - "resolved": "https://registry.npmjs.org/normalize-path/-/normalize-path-1.0.0.tgz", "integrity": "sha1-MtDkcvkf80VwHBWoMRAY07CpA3k=", "dev": true }, "strip-indent": { "version": "2.0.0", - "resolved": "https://registry.npmjs.org/strip-indent/-/strip-indent-2.0.0.tgz", "integrity": "sha1-XvjbKV0B5u1sv3qrlpmNeCJSe2g=", "dev": true } @@ -43838,7 +40482,6 @@ }, "zwitch": { "version": "1.0.5", - "resolved": "https://registry.npmjs.org/zwitch/-/zwitch-1.0.5.tgz", "integrity": "sha512-V50KMwwzqJV0NpZIZFwfOD5/lyny3WlSzRiXgA0G7VUnRlqttta1L6UQIHzd6EuBY/cHGfwTIck7w1yH6Q5zUw==" } } diff --git a/package.json b/package.json index 33232bd4..7807e68f 100644 --- a/package.json +++ b/package.json @@ -1,6 +1,6 @@ { "name": "unipept-desktop", - "version": "1.2.1", + "version": "1.2.2", "private": true, "author": "Unipept Team (Ghent University)", "description": "A desktop equivalent of unipept.ugent.be. This app aims at high-throughput analysis of metaproteomics samples.", @@ -25,6 +25,7 @@ "@babel/preset-env": "^7.6.0", "@types/async": "^3.2.3", "@types/better-sqlite3": "^5.4.0", + "@types/dockerode": "^3.2.3", "@types/electron-devtools-installer": "^2.2.0", "@types/follow-redirects": "^1.13.0", "@types/marked": "^2.0.2", @@ -39,6 +40,7 @@ "better-sqlite3": "^7.1.2", "chokidar": "^3.3.1", "core-js": "^2.6.9", + "dockerode": "^3.3.0", "electron-devtools-installer": "^3.1.1", "electron-log": "^4.2.2", "electron-updater": "4.3.4", @@ -49,8 +51,8 @@ "marked": "^2.0.3", "node-abi": "^2.19.3", "regenerator-runtime": "^0.13.3", - "shared-memory-datastructures": "0.1.8", - "unipept-web-components": "^1.4.3", + "shared-memory-datastructures": "0.1.9", + "unipept-web-components": "^1.5.0", "uuid": "^7.0.3", "vue": "^2.6.12", "vue-class-component": "^7.1.0", @@ -58,7 +60,7 @@ "vue-property-decorator": "^8.2.2", "vue-router": "^3.1.3", "vue-styleguidist": "^4.2.3", - "vuetify": "^2.1.1", + "vuetify": "^2.5.8", "vuex": "^3.1.1", "whatwg-fetch": "^3.0.0", "yauzl": "^2.10.0" @@ -93,7 +95,7 @@ "vue-cli-plugin-styleguidist": "^4.2.3", "vue-cli-plugin-vuetify": "^0.6.3", "vue-template-compiler": "^2.6.12", - "vuetify-loader": "^1.2.2", + "vuetify-loader": "^1.7.3", "worker-loader": "^3.0.2" }, "eslintConfig": { diff --git a/src/App.vue b/src/App.vue index 7cf918e5..d1ac5118 100644 --- a/src/App.vue +++ b/src/App.vue @@ -11,7 +11,6 @@ @@ -79,9 +78,11 @@ import { Assay, ProteomicsAssay, NetworkConfiguration, - AssayData, - QueueManager + QueueManager, + AssayAnalysisStatus } from "unipept-web-components"; +import DockerCommunicator from "@/logic/communication/docker/DockerCommunicator"; +import BootstrapApplication from "@/logic/application/BootstrapApplication"; const electron = require("electron"); const ipcRenderer = electron.ipcRenderer; @@ -101,8 +102,8 @@ const { app } = require("electron").remote; assaysInProgress: { get(): Assay[] { return this.$store.getters.assays - .filter((a: AssayData) => a.analysisMetaData.progress < 1) - .map((a: AssayData) => a.assay); + .filter((a: AssayAnalysisStatus) => !a.analysisReady) + .map((a: AssayAnalysisStatus) => a.assay); } }, isMini: { @@ -124,6 +125,7 @@ export default class App extends Vue implements ErrorListener { private updatedColor: string = "info"; private toolbarWidth: number = 210; + // Has this component been initialized before? private static previouslyInitialized: boolean = false; @@ -182,7 +184,7 @@ export default class App extends Vue implements ErrorListener { electron.remote.BrowserWindow.getAllWindows()[0].setProgressBar(-1); } else { const average: number = assays.reduce( - (prev: number, currentAssay: Assay) => prev + this.$store.getters.assayData(currentAssay).analysisMetaData.progress, 0 + (prev: number, currentAssay: Assay) => prev + this.$store.getters["assayData"](currentAssay).originalProgress.value, 0 ) / assays.length; electron.remote.BrowserWindow.getAllWindows()[0].setProgressBar(average); } @@ -196,14 +198,8 @@ export default class App extends Vue implements ErrorListener { this.loading = true; let configurationManager = new ConfigurationManager(); try { - let config: Configuration = await configurationManager.readConfiguration(); - NetworkConfiguration.BASE_URL = config.apiSource; - // Make sure that the old Unipept URL is no longer being used... - if (NetworkConfiguration.BASE_URL === "https://unipept.ugent.be") { - NetworkConfiguration.BASE_URL = "https://api.unipept.ugent.be"; - } - NetworkConfiguration.PARALLEL_API_REQUESTS = config.maxParallelRequests; - QueueManager.initializeQueue(config.maxLongRunningTasks); + const appBootstrap = new BootstrapApplication(this.$store); + appBootstrap.loadApplicationComponents(); } catch (err) { // TODO: show a proper error message to the user in case this happens console.error(err) @@ -218,10 +214,6 @@ export default class App extends Vue implements ErrorListener { private onToolbarWidthUpdated(newValue: number) { this.toolbarWidth = newValue; } - - private onActivateDataset(value: ProteomicsAssay) { - this.$store.dispatch("setActiveDataset", value); - } } diff --git a/src/assets/images/docker/docker_available.svg b/src/assets/images/docker/docker_available.svg new file mode 100644 index 00000000..df538e0d --- /dev/null +++ b/src/assets/images/docker/docker_available.svg @@ -0,0 +1,64 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + ✓ + + diff --git a/src/assets/images/docker/docker_na.svg b/src/assets/images/docker/docker_na.svg new file mode 100644 index 00000000..24c5164a --- /dev/null +++ b/src/assets/images/docker/docker_na.svg @@ -0,0 +1,64 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + X + + diff --git a/src/background.ts b/src/background.ts index 533d89ac..d75b7dd9 100644 --- a/src/background.ts +++ b/src/background.ts @@ -43,7 +43,7 @@ async function createWindow() { let options = { width: 1200, height: 1000, - webPreferences: { nodeIntegration: true, enableRemoteModule: true }, + webPreferences: { nodeIntegration: true, nodeIntegrationInWorker: true, enableRemoteModule: true }, show: false }; diff --git a/src/components/analysis/AnalysisSummary.vue b/src/components/analysis/AnalysisSummary.vue index 0eca6349..870a06c4 100644 --- a/src/components/analysis/AnalysisSummary.vue +++ b/src/components/analysis/AnalysisSummary.vue @@ -22,42 +22,42 @@ {{ peptideTrust.searchedPeptides }} peptides in assay
Last analysed on {{ getHumanReadableAssayDate() }}
-
- - - mdi-alert-outline - - - {{ assay.getDatabaseVersion() }} -
-
- - - mdi-alert-outline - - - {{ assay.getEndpoint() }} + + +
+
+ + Checking cache validity... + +
+
+ Analysis is up-to-date, no need to restart the analysis. +
+
+ + Something about the selected analysis source changed since the last time + this assay has been analysed. Restart the analysis for these changes to + come to effect. + +
-
- Either the selected endpoint, the supported UniProt database version or the selected - search settings changed since the last time you analysed this assay. It is - recommended that you reanalyse this assay. + +
+ + +
+ mdi-web + {{ analysisSourceDescription }} + (Click to change) +
+ +
@@ -71,7 +71,7 @@
{ - return this.$store.getters.assayData(this.assay)?.peptideCountTable; + get analysisReady(): boolean { + return this.$store.getters.assayData(this.assay)?.analysisReady; + } + + // Did something change about the settings selected by the user in comparison to the current settings? + get isDirty(): boolean { + return this.originalEquateIl !== this.equateIl || + this.originalFilterDuplicates !== this.filterDuplicates || + this.originalMissedCleavage !== this.missedCleavage } - get progress(): number { - const assayData: AssayData = this.$store.getters.assayData(this.assay); - return assayData ? assayData.analysisMetaData.progress : 0; + get isOnlineAnalysisSource(): boolean { + return this.analysisSource instanceof CachedOnlineAnalysisSource || + this.analysisSource instanceof OnlineAnalysisSource; } - private async mounted() { - this.dbVersion = await MetadataCommunicator.getRemoteUniprotVersion(); + get analysisSourceDescription(): string { + const analysisSource = this.analysisSource; + if (this.isOnlineAnalysisSource) { + return `${(analysisSource as OnlineAnalysisSource).endpoint} - online`; + } else { + return `${(analysisSource as CachedCustomDbAnalysisSource).customDatabase.name} - local database`; + } + } + + private created() { + // Reset the current state of the component when it is reopened. + this.renderableSources.push({ + type: "online", + title: "Online Unipept service", + subtitle: "https://unipept.ugent.be" + }); + + for (const dbInfo of (this.$store.getters.databases as CustomDatabaseInfo[])) { + if (dbInfo.database.complete) { + this.renderableSources.push({ + type: "local", + title: dbInfo.database.name, + subtitle: `${dbInfo.database.entries} UniProt-entries` + }); + } + } + this.onAssayChanged(); - this.onPeptideCountTableChanged(); + this.checkCacheValidity(); } @Watch("assay") @@ -169,24 +215,92 @@ export default class AnalysisSummary extends Vue { this.equateIl = config.equateIl; this.filterDuplicates = config.filterDuplicates; this.missedCleavage = config.enableMissingCleavageHandling; + + this.originalEquateIl = config.equateIl; + this.originalFilterDuplicates = config.filterDuplicates; + this.originalMissedCleavage = config.enableMissingCleavageHandling; + + this.analysisSource = this.assay.getAnalysisSource(); + this.originalAnalysisSource = this.analysisSource; + + if (this.analysisSource instanceof OnlineAnalysisSource || this.analysisSource instanceof CachedOnlineAnalysisSource) { + this.currentAnalysisSource = { + type: "online", + title: "Online Unipept service", + subtitle: this.analysisSource.endpoint + } + } else { + const customDb = (this.analysisSource as CachedCustomDbAnalysisSource).customDatabase; + + return { + type: "local", + title: customDb.name, + subtitle: `${customDb.entries} UniProt-entries` + } + } + } + } + + private async checkCacheValidity(): Promise { + this.cacheValidityLoading = true; + const metadataMng = new StorageMetadataManager(this.$store.getters.dbManager); + const metadata = await metadataMng.readMetadata(this.assay.getId()); + + if (metadata) { + this.cacheIsValid = await this.assay.getAnalysisSource().verifyEquality(metadata.fingerprint); + } else { + this.cacheIsValid = false; } + + this.cacheValidityLoading = false; } - @Watch("peptideCountTable") - private async onPeptideCountTableChanged() { - if (this.peptideCountTable) { - const communicator: Pept2DataCommunicator = - this.$store.getters.assayData(this.assay)?.communicationSource.getPept2DataCommunicator(); - this.peptideTrust = await communicator?.getPeptideTrust( - this.peptideCountTable, - this.assay.getSearchConfiguration() + private async updateAnalysisSource(): Promise { + if (this.currentAnalysisSource.type === "online") { + this.analysisSource = new CachedOnlineAnalysisSource( + this.currentAnalysisSource.subtitle, + this.assay, + this.$store.getters.dbManager, + this.$store.getters.projectLocation + ); + } else { + const configMng = new ConfigurationManager(); + const config = await configMng.readConfiguration(); + + this.analysisSource = new CachedCustomDbAnalysisSource( + this.assay, + this.$store.getters.dbManager, + this.$store.getters.databases.find( + (d: CustomDatabaseInfo) => d.database.name === this.currentAnalysisSource.title + ), + config.customDbStorageLocation, + this.$store.getters.projectLocation ); } } private update() { const config = new SearchConfiguration(this.equateIl, this.filterDuplicates, this.missedCleavage); - this.$store.dispatch("processAssay", [this.assay, true, config]); + this.assay.setSearchConfiguration(config); + + this.assay.setAnalysisSource(this.analysisSource); + + // We need to retrieve the name of the study with which this assay is associated to be able to write data to the + // filesystem. + const study = this.$store.getters.studies.filter( + (s: Study) => s.getAssays().some( + (a: Assay) => a.getId() === this.assay.getId() + ) + )[0]; + + const assayWriter = new AssayFileSystemDataWriter( + `${this.$store.getters.projectLocation}/${study.getName()}`, + this.$store.getters.dbManager, + study + ); + this.assay.accept(assayWriter); + + this.$store.dispatch("analyseAssay", this.assay); } private getHumanReadableAssayDate(): string { @@ -206,7 +320,7 @@ export default class AnalysisSummary extends Vue { "December" ] - return `${months[date.getMonth()]} ${date.getDate()} at ${date.getHours()}:${date.getMinutes()}`; + return `${months[date.getMonth()]} ${date.getDate()} at ${date.getHours().toString().padStart(2, "0")}:${date.getMinutes().toString().padStart(2, "0")}`; } } diff --git a/src/components/analysis/PeptideSummaryTable.vue b/src/components/analysis/PeptideSummaryTable.vue index 02899435..8da589ae 100644 --- a/src/components/analysis/PeptideSummaryTable.vue +++ b/src/components/analysis/PeptideSummaryTable.vue @@ -6,10 +6,10 @@ :items-per-page="5" :server-items-length="totalItems" :options.sync="options" - :loading="loading || computeProgress !== 1" - :loading-text="'Loading items: ' + Math.round(computeProgress * 100) + '%'"> + :loading="loading" + loading-text="Loading items..."> @@ -66,6 +69,8 @@ export default class Snake extends Vue { private grid = 16; private count = 0; + private animationFrameListener: number = -1; + private snake: {x: number, y: number, dx: number, dy: number, cells: CellType[], maxCells: number} = { x: 160, y: 160, @@ -100,7 +105,6 @@ export default class Snake extends Vue { }); } - private async activateSnake(): Promise { this.snakeActive = true; @@ -108,7 +112,15 @@ export default class Snake extends Vue { this.canvas = this.$refs.snake as HTMLCanvasElement; this.context = this.canvas.getContext("2d"); - requestAnimationFrame(this.loop); + this.animationFrameListener = requestAnimationFrame(this.loop); + } + + private async deactivateSnake(): Promise { + this.snakeActive = false; + if (this.animationFrameListener >= 0) { + cancelAnimationFrame(this.animationFrameListener); + this.animationFrameListener = -1; + } } // get random whole numbers in a specific range @@ -119,7 +131,7 @@ export default class Snake extends Vue { // game loop private loop() { - requestAnimationFrame(this.loop); + this.animationFrameListener = requestAnimationFrame(this.loop); // slow game loop to 15 fps instead of 60 (60/15 = 4) if (++this.count < 4) { diff --git a/src/components/navigation-drawers/AssayItem.vue b/src/components/navigation-drawers/AssayItem.vue index 1b8e0e1f..d0694e0f 100644 --- a/src/components/navigation-drawers/AssayItem.vue +++ b/src/components/navigation-drawers/AssayItem.vue @@ -5,123 +5,138 @@ @contextmenu="showContextMenu()" :class="{ 'assay-item': true, - 'assay-item--selected': !selectable && activeAssay && activeAssay.getId() === assay.getId(), - 'assay-item--error': !isValidAssayName || errorStatus + 'assay-item--selected': !selectable && activeAssay && activeAssay.assay.getId() === assay.getId(), + 'assay-item--error': !isValidAssayName || errorStatus, + 'd-flex': true }"> -
- + + +
+ + + {{ errorMessage }} + + + + + - {{ Math.round(progress * 100) }}% + The analysis for this assay has been cancelled. Click here to restart the analysis. -
- + + + + + + + This assay is queued for processing. + + + + + + + + Add assay to comparative analysis. + + + + mdi-text-box-outline
- - - mdi-alert-outline - - - - - mdi-restart-alert - - - - - mdi-cancel - - - - {{ assay.getName() }} - - -
- - - mdi-information-outline - - -
-
- - mdi-close - + + +
+ + + {{ assay.getName() }} + + + +
-
- - - mdi-stop-circle-outline - - + + +
+ + + + Display experiment summary. + + + + + + Cancel analysis for this assay. +
+ + + Confirm assay deletion @@ -135,6 +150,7 @@ +
@@ -148,18 +164,20 @@ import { Study, ProteomicsAssay, SearchConfiguration, - Pept2DataCommunicator, CountTable, Peptide, Assay, - AssayData + AssayAnalysisStatus, + PeptideData } from "unipept-web-components"; import ExperimentSummaryDialog from "./../analysis/ExperimentSummaryDialog.vue"; import AssayFileSystemDestroyer from "@/logic/filesystem/assay/AssayFileSystemDestroyer"; import { promises as fs } from "fs"; import { v4 as uuidv4 } from "uuid"; -import { AssayFileSystemMetaDataWriter } from "@/logic/filesystem/assay/AssayFileSystemMetaDataWriter"; +import { ShareableMap } from "shared-memory-datastructures"; +import AssayFileSystemDataWriter from "@/logic/filesystem/assay/AssayFileSystemDataWriter"; +import AnalysisSourceSerializer from "@/logic/filesystem/analysis/AnalysisSourceSerializer"; const { remote } = require("electron"); const { Menu, MenuItem } = remote; @@ -204,32 +222,31 @@ export default class AssayItem extends Vue { this.onValueChanged(); } - get activeAssay(): ProteomicsAssay { + get activeAssay(): AssayAnalysisStatus { return this.$store.getters.activeAssay; } - get progress(): number { - const assayData: AssayData = this.$store.getters.assayData(this.assay); - return assayData ? assayData.analysisMetaData.progress : 0; + get analysisReady(): boolean { + return this.$store.getters.assayData(this.assay)?.analysisReady || false; } - get peptideCountTable(): CountTable { - return this.$store.getters.assayData(this.assay)?.peptideCountTable; + get analysisInProgress(): boolean { + return this.$store.getters.assayData(this.assay)?.analysisInProgress || false; } get errorStatus(): boolean { - const assayData: AssayData = this.$store.getters.assayData(this.assay); - return assayData?.analysisMetaData.status === "error"; + const assayData: AssayAnalysisStatus = this.$store.getters.assayData(this.assay); + return assayData?.error.status; } - get cancelStatus(): boolean { - const assayData: AssayData = this.$store.getters.assayData(this.assay); - return assayData?.analysisMetaData.status === "cancelled"; + get errorMessage(): boolean { + return this.$store.getters.assayData(this.assay)?.error.message || this.nameError; } - get pept2dataCommunicator(): Pept2DataCommunicator { - const processingResult = this.$store.getters.assayData(this.assay); - return processingResult?.communicationSource?.getPept2DataCommunicator(); + get cancelStatus(): boolean { + return false; + // const assayData: AssayData = this.$store.getters.assayData(this.assay); + // return assayData?.analysisMetaData.status === "cancelled"; } private cancelAnalysis() { @@ -310,27 +327,15 @@ export default class AssayItem extends Vue { this.assayName = this.assay.getName(); } - @Watch("pept2dataCommunicator", { immediate: true }) - private async computePeptideTrust(): Promise { - if (this.assay && this.pept2dataCommunicator) { - const processingResult = this.$store.getters.assayData(this.assay); - const countTable = processingResult?.peptideCountTable; - this.peptideTrust = await this.pept2dataCommunicator.getPeptideTrust( - countTable, - this.assay.getSearchConfiguration() - ); - } - } - private reanalyse() { - this.$store.dispatch("processAssay", [this.assay, true, this.assay.getSearchConfiguration()]); + this.$store.dispatch("analyseAssay", this.assay); } private selectAssay() { if (this.selectable) { this.clickCheckbox(); } else { - this.$emit("select-assay", this.assay); + this.$store.dispatch("activateAssay", this.assay); } } @@ -356,6 +361,7 @@ export default class AssayItem extends Vue { // Also copy configuration for this assay. const newAssay = new ProteomicsAssay(uuidv4()); newAssay.setName(assayName); + const originalSearchConfig = this.assay.getSearchConfiguration(); const searchConfiguration = new SearchConfiguration( originalSearchConfig.equateIl, @@ -363,17 +369,32 @@ export default class AssayItem extends Vue { originalSearchConfig.enableMissingCleavageHandling ); newAssay.setSearchConfiguration(searchConfiguration); - const metadataWriter = new AssayFileSystemMetaDataWriter( + + const copyOfSource = await AnalysisSourceSerializer.deserializeAnalysisSource( + AnalysisSourceSerializer.serializeAnalysisSource(this.assay.getAnalysisSource()), + newAssay, + this.$store.getters.dbManager, + this.$store.getters.projectLocation + ); + newAssay.setAnalysisSource(copyOfSource); + + newAssay.setPeptides(this.assay.getPeptides()); + + const dataWriter = new AssayFileSystemDataWriter( `${this.$store.getters.projectLocation}${this.study.getName()}`, this.$store.getters.dbManager, this.study ); - await newAssay.accept(metadataWriter); + await newAssay.accept(dataWriter); await fs.copyFile( `${this.$store.getters.projectLocation}${this.study.getName()}/${this.assay.getName()}.pep`, `${this.$store.getters.projectLocation}${this.study.getName()}/${assayName}.pep`, ); + + this.$store.dispatch("addAssay", newAssay); + this.study.addAssay(newAssay); + this.$store.dispatch("analyseAssay", newAssay); } private async removeAssay() { @@ -383,6 +404,9 @@ export default class AssayItem extends Vue { this.$store.getters.dbManager ); await this.assay.accept(assayDestroyer); + // Also remove the assay from the store + this.study.removeAssay(this.assay); + this.$store.dispatch("removeAssay", this.assay); } } @@ -392,6 +416,7 @@ export default class AssayItem extends Vue { .assay-item .v-input--selection-controls__input { margin-right: 0 !important; + max-width: 40px; } .assay-icon { diff --git a/src/components/navigation-drawers/ProjectExplorer.vue b/src/components/navigation-drawers/ProjectExplorer.vue index a9c291f1..4b0abcdc 100644 --- a/src/components/navigation-drawers/ProjectExplorer.vue +++ b/src/components/navigation-drawers/ProjectExplorer.vue @@ -1,22 +1,30 @@ @@ -26,6 +34,8 @@ import Component from "vue-class-component"; import { Study, Tooltip } from "unipept-web-components"; import StudyItem from "@/components/navigation-drawers/StudyItem.vue"; import mkdirp from "mkdirp"; +import { Watch } from "vue-property-decorator"; +import StudyFileSystemDataWriter from "@/logic/filesystem/study/StudyFileSystemDataWriter"; @Component({ components: { @@ -43,7 +53,15 @@ import mkdirp from "mkdirp"; } }) export default class ProjectExplorer extends Vue { - private createStudy() { + private minExplorerWidth: number = 169; + private originalExplorerWidth: number = 210; + private explorerWidth: number = this.originalExplorerWidth; + + mounted() { + this.setupDraggableExplorer(); + } + + private async createStudy() { // Check which studies already exist, and make sure there isn't one with the same name. const unknowns: number[] = this.$store.getters.studies .map((s: Study) => s.getName()) @@ -56,9 +74,50 @@ export default class ProjectExplorer extends Vue { studyName += ` (${Math.max(...unknowns) + 1})` } - // Write a new directory to the file system with this name, the file system watcher will then automatically - // pick this up. - mkdirp(`${this.$store.getters.projectLocation}${studyName}`); + const study = new Study(); + study.setName(studyName); + await this.$store.dispatch("addStudy", study); + + const studyWriter = new StudyFileSystemDataWriter( + `${this.$store.getters.projectLocation}/${studyName}`, + this.$store.getters.dbManager + ); + study.accept(studyWriter); + } + + private setupDraggableExplorer() { + const toolbar = this.$refs.projectExplorer as Element; + const drawerBorder = toolbar.querySelector(".v-navigation-drawer__border"); + + let initialMousePos: number = 0; + + const mouseMoveListener = (moveE: MouseEvent) => { + const xDifference = initialMousePos - moveE.x; + const computedWidth = this.originalExplorerWidth -xDifference; + if (computedWidth >= this.minExplorerWidth) { + this.explorerWidth = computedWidth; + } + }; + + drawerBorder.addEventListener("mousedown", (e: MouseEvent) => { + initialMousePos = e.x; + document.addEventListener("mousemove", mouseMoveListener); + }); + + document.addEventListener("mouseup", (e: MouseEvent) => { + // Reset start position for next mousedown-event + this.originalExplorerWidth = this.explorerWidth; + document.removeEventListener("mousemove", mouseMoveListener); + }); + } + + @Watch("explorerWidth") + private onExplorerWidthChanged(newWidth: number) { + this.$emit("widthChange", newWidth); + } + + private createAssay(study: Study) { + this.$emit("createAssay", study); } } @@ -67,8 +126,29 @@ export default class ProjectExplorer extends Vue { .sample-list-placeholder { margin-left: 8px; margin-right: 8px; - position: relative; - top: 16px; + margin-top: 16px; text-align: center; } + + .project-explorer { + height: 100%; + position: fixed; + left: 55px; + background-color: white; + border-right: 1px solid rgba(0, 0, 0, 0.12); + display: block; + } + + .project-explorer .v-list-item__action { + min-width: 48px; + } + + .project-explorer .v-list-item__action span:first-child { + margin-right: 8px; + } + + .project-explorer-container { + height: calc(100vh - 64px); + overflow-y: auto; + } diff --git a/src/components/navigation-drawers/StudyItem.vue b/src/components/navigation-drawers/StudyItem.vue index 4366d710..e079e415 100644 --- a/src/components/navigation-drawers/StudyItem.vue +++ b/src/components/navigation-drawers/StudyItem.vue @@ -54,30 +54,16 @@ {{ nameError }} - - @@ -88,12 +93,10 @@ import Vue from "vue"; import Component from "vue-class-component"; import { Prop, Watch } from "vue-property-decorator"; import { Tooltip } from "unipept-web-components"; -import ProjectExplorer from "@/components/navigation-drawers/ProjectExplorer.vue"; @Component({ components: { Tooltip, - ProjectExplorer }, computed: { isMini: { @@ -104,81 +107,20 @@ import ProjectExplorer from "@/components/navigation-drawers/ProjectExplorer.vue } }) export default class Toolbar extends Vue { - private minToolbarWidth: number = 169; private originalToolbarWidth: number = 210; private toolbarWidth: number = this.originalToolbarWidth; - mounted() { - this.setupDraggableToolbar(); - } - private navigate(routeToGo: string, activateSidebar: boolean) { if (this.$route.path !== routeToGo) { this.$router.replace(routeToGo); } } - private setupDraggableToolbar() { - const toolbar = this.$refs.toolbar as Element; - const drawerBorder = toolbar.querySelector(".v-navigation-drawer__border"); - - let initialMousePos: number = 0; - - const mouseMoveListener = (moveE: MouseEvent) => { - const xDifference = initialMousePos - moveE.x; - const computedWidth = this.originalToolbarWidth -1 * xDifference; - if (computedWidth >= this.minToolbarWidth) { - this.toolbarWidth = computedWidth; - } - }; - - drawerBorder.addEventListener("mousedown", (e: MouseEvent) => { - initialMousePos = e.x; - document.addEventListener("mousemove", mouseMoveListener); - }); - document.addEventListener("mouseup", (e: MouseEvent) => { - // Reset start position for next mousedown-event - this.originalToolbarWidth = this.toolbarWidth; - document.removeEventListener("mousemove", mouseMoveListener); - }); - } - - @Watch("toolbarWidth") - private onToolbarWidthChanged(newWidth: number) { - this.$emit("update:toolbar-width", newWidth); - } } diff --git a/src/components/pages/HomePage.vue b/src/components/pages/HomePage.vue index 2cf674f5..3c964e22 100644 --- a/src/components/pages/HomePage.vue +++ b/src/components/pages/HomePage.vue @@ -100,6 +100,7 @@ import UpdateNotesDialog from "@/components/dialogs/UpdateNotesDialog.vue"; import GitHubCommunicator from "@/logic/communication/github/GitHubCommunicator"; import Utils from "@/logic/Utils"; import { OpenDialogOptions } from "electron"; +import DockerCommunicator from "@/logic/communication/docker/DockerCommunicator"; const electron = require("electron"); const { dialog } = electron.remote; diff --git a/src/components/pages/PeptideAnalysisPage.vue b/src/components/pages/PeptideAnalysisPage.vue index cd7cb68f..5328f2fd 100644 --- a/src/components/pages/PeptideAnalysisPage.vue +++ b/src/components/pages/PeptideAnalysisPage.vue @@ -19,33 +19,49 @@ - - - - - - -
+ +
+ + + +
Tryptic peptide analysis
Enter a peptide above to continue...
-
- - - - - - - - - - + + + + +
+ +
+ + + + + + Processing your request... + + + + +
+ +
+ + + + + + + + + + + + + + +
@@ -54,7 +70,7 @@ import Vue from "vue"; import Component from "vue-class-component"; import { CommunicationSource, - DefaultCommunicationSource, Pept2DataCommunicator, Peptide, + DefaultCommunicationSource, NetworkConfiguration, Pept2DataCommunicator, Peptide, SinglePeptideAnalysisCard, SinglePeptideSummary } from "unipept-web-components"; @@ -69,23 +85,19 @@ import CachedNcbiResponseCommunicator from "@/logic/communication/taxonomic/ncbi components: { SinglePeptideAnalysisCard, SinglePeptideSummary } }) export default class PeptideAnalysisPage extends Vue { - private communicationSource: CommunicationSource = new ConfigureableCommunicationSource( - new Pept2DataCommunicator(), - new CachedGoResponseCommunicator(), - new CachedEcResponseCommunicator(), - new CachedInterproResponseCommunicator(), - new CachedNcbiResponseCommunicator() - ); - private peptideModel: Peptide = ""; private equateIlModel: boolean = false; get peptide(): Peptide { - return this.$store.getters["peptideSummary/selectedPeptide"]; + return this.$store.getters.peptideStatus.peptide; } get equateIl(): boolean { - return this.$store.getters["peptideSummary/equateIl"]; + return this.$store.getters.peptideStatus.equateIl; + } + + get isAnalysisInProgress(): boolean { + return this.$store.getters.peptideStatus.analysisInProgress; } private mounted() { @@ -94,7 +106,7 @@ export default class PeptideAnalysisPage extends Vue { } private openPeptide() { - this.$store.dispatch("peptideSummary/setPeptide", [this.peptideModel, this.equateIlModel]); + this.$store.dispatch("analyseSinglePeptide", [this.peptideModel, this.equateIlModel]); } } diff --git a/src/components/pages/SettingsPage.vue b/src/components/pages/SettingsPage.vue index e79b792c..204f8113 100644 --- a/src/components/pages/SettingsPage.vue +++ b/src/components/pages/SettingsPage.vue @@ -80,23 +80,126 @@ -

Appearance

+

Storage

- -
Use native titlebar
+ +
Database storage location
+
+ Indicates where the application should store custom database files? Note + that these files can grow quite large in size, depending on the amount + and size of the custom databases you are planning to use. For large + databases, at least 100GiB of free space is required. +
+ + + + + + + + + +

Docker

+ + + + + - Forces the application to use the native titlebar on Windows. + This application requires a connection with a local Docker installation + in order to provide custom protein database functionality. If you + currently don't have Docker installed locally, you can download it for + free from the Docker website. + We recommend using Docker Desktop, which automatically comes with + Docker Engine (which in turn is required by this application in order + to allow easy communication with the Docker daemon. - - Changing this option requires you to restart the application. + + + + +
Connection settings
+ + Provide a valid configuration that's required to connect to your local + Docker installation. All valid configuration options, that will be + accepted by this application can be found + + here. Please note that the default settings provided by this + application work in most cases, you only need to change this + configuration if no connection to your local Docker installation can be + made. - - + + + + + + + + +
+ Docker availability +
+ + Click to refresh status + + + + + +
+ + Checking connection with Docker +
+
+
+ + +
+
+
+ Architecture: {{ dockerInfo.Architecture }} +
+
+ CPUs available: {{ dockerInfo.NCPU }} +
+
+ Total memory available: + {{ dockerInfo.MemTotal }} bytes + ({{ (dockerInfo.MemTotal / (Math.pow(2,30))).toFixed(2) }} GiB) +
+
+ OS type: + {{ dockerInfo.OSType }} ({{ dockerInfo.KernelVersion }}) +
+
+ Docker server version: + {{ dockerInfo.ServerVersion }} +
+
+ ID: {{ dockerInfo.ID }} +
+
+ + We were unable to connect to your local Docker installation. Please + verify that Docker engine has been properly installed on your + system, that it is currently running and that the configuration + provided above is correct. Remember to check your firewall settings + if Docker seems to be running perfectly, but no connection can be + established. + +
@@ -107,7 +210,7 @@ - + @@ -119,9 +222,8 @@ import Configuration from "./../../logic/configuration/Configuration"; import ConfigurationManager from "./../../logic/configuration/ConfigurationManager"; import { Prop, Watch } from "vue-property-decorator"; import Rules from "./../validation/Rules"; -import VForm from "vuetify"; -import Utils from "@/logic/Utils"; -import { NetworkConfiguration } from "unipept-web-components"; +import { NetworkConfiguration, NetworkUtils } from "unipept-web-components"; +import DockerCommunicator from "@/logic/communication/docker/DockerCommunicator"; @Component export default class SettingsPage extends Vue { @@ -134,8 +236,8 @@ export default class SettingsPage extends Vue { private errorVisible: boolean = false; private errorMessage: string = ""; - private validInputs: boolean = true; - private isWindows: boolean = Utils.isWindows(); + private dockerInfo: any = null; + private dockerInfoLoading: boolean = true; private apiSourceRules: ((x: string) => boolean | string)[] = [ Rules.required, @@ -146,18 +248,29 @@ export default class SettingsPage extends Vue { Rules.required, Rules.integer, Rules.gtZero - ] + ]; private maxRequestRules: ((x: string) => boolean | string)[] = [ Rules.required, Rules.integer, Rules.gtZero, Rules.lteTen - ] + ]; + + private dockerConfigRules: ((x: string) => boolean | string)[] = [ + Rules.required, + Rules.json + ]; + + private customDbStorageLocationRules: ((x: string) => boolean | string)[] = [ + Rules.required + ]; private mounted() { let configManager: ConfigurationManager = new ConfigurationManager(); configManager.readConfiguration().then((result) => this.configuration = result); + + this.retrieveDockerInfo(); } private async beforeDestroy() { @@ -182,16 +295,54 @@ export default class SettingsPage extends Vue { return this.configuration.maxParallelRequests.toString(); } + set dockerConnectionSettings(settings: string) { + this.configuration.dockerConfigurationSettings = settings; + } + + get dockerConnectionSettings(): string { + return this.configuration.dockerConfigurationSettings; + } + + set customDbStorageLocation(value: string) { + this.configuration.customDbStorageLocation = value; + } + + get customDbStorageLocation(): string { + return this.configuration.customDbStorageLocation; + } + @Watch("configuration.apiSource") - @Watch("configuration.useNativeTitlebar") @Watch("configuration.maxLongRunningTasks") @Watch("configuration.maxParallelRequests") + @Watch("configuration.dockerConnectionSettings") private async saveChanges(): Promise { NetworkConfiguration.BASE_URL = this.configuration.apiSource; NetworkConfiguration.PARALLEL_API_REQUESTS = this.configuration.maxParallelRequests; - this.updateStore("setUseNativeTitlebar", this.configuration.useNativeTitlebar); + // Update docker connection } + private updateDockerConnection() { + if (this.dockerConfigRules.every(rule => rule(this.configuration.dockerConfigurationSettings))) { + DockerCommunicator.initializeConnection(JSON.parse(this.configuration.dockerConfigurationSettings)); + this.retrieveDockerInfo(); + } + } + + private async retrieveDockerInfo() { + this.dockerInfoLoading = true; + + const dockerCommunicator = new DockerCommunicator(); + + try { + this.dockerInfo = await dockerCommunicator.getDockerInfo(); + } catch (e) { + this.dockerInfo = null; + } + + this.dockerInfoLoading = false; + } + + private async updateStore(method: string, value: any) { this.errorVisible = false; if (this.configuration != null && this.$refs.form && this.$refs.form.validate()) { @@ -211,10 +362,27 @@ export default class SettingsPage extends Vue { } } + private async openDbStorageFileDialog(): Promise { + const electron = require("electron"); + const { dialog } = electron.remote; + + const chosenPath: Electron.OpenDialogReturnValue | undefined = await dialog.showOpenDialog({ + properties: ["openDirectory", "createDirectory"] + }); + + if (chosenPath && chosenPath.filePaths.length > 0) { + this.customDbStorageLocation = chosenPath.filePaths[0]; + } + } + private showError(message: string): void { this.errorVisible = true; this.errorMessage = message; } + + private openInBrowser(url: string): void { + NetworkUtils.openInBrowser(url); + } } @@ -233,10 +401,4 @@ export default class SettingsPage extends Vue { .settings-category-title:not(:first-child) { margin-top: 32px; } - - .v-progress-circular--indeterminate { - position: relative; - left: 50%; - transform: translateX(-50%); - } diff --git a/src/components/pages/analysis/AnalysisPage.vue b/src/components/pages/analysis/AnalysisPage.vue index b886e9a0..c616d5c2 100644 --- a/src/components/pages/analysis/AnalysisPage.vue +++ b/src/components/pages/analysis/AnalysisPage.vue @@ -1,97 +1,168 @@ @@ -178,7 +229,7 @@ export default class AnalysisPage extends Vue { } .inner-status-container { - max-width: 600px; + max-width: 1200px; display: flex; justify-content: center; flex-direction: column; @@ -186,9 +237,6 @@ export default class AnalysisPage extends Vue { align-items: center; } - .game-container { - justify-content: flex-start; - } .status-container { width: 100%; diff --git a/src/components/pages/analysis/ComparativeAnalysisPage.vue b/src/components/pages/analysis/ComparativeAnalysisPage.vue index 4591fc29..d33844d5 100644 --- a/src/components/pages/analysis/ComparativeAnalysisPage.vue +++ b/src/components/pages/analysis/ComparativeAnalysisPage.vue @@ -96,7 +96,7 @@ import { AllNormalizer, NormalizationSelector, DefaultCommunicationSource, - CommunicationSource + CommunicationSource, NetworkConfiguration } from "unipept-web-components"; import { Prop, Watch } from "vue-property-decorator"; @@ -120,7 +120,7 @@ import CollapsableCard from "@/components/pages/CollapsableCard.vue"; export default class ComparativeAnalysisPage extends Vue { private selectedItems: MultiAssayDataSourceItem[] = []; private normalizer: Normalizer = new AllNormalizer(); - private communicationSource: CommunicationSource = new DefaultCommunicationSource(); + private communicationSource: CommunicationSource = new DefaultCommunicationSource(NetworkConfiguration.BASE_URL); private updateSelectedItems(newItems: MultiAssayDataSourceItem[]) { this.selectedItems.length = 0; diff --git a/src/components/pages/analysis/SingleAssayAnalysisPage.vue b/src/components/pages/analysis/SingleAssayAnalysisPage.vue index b93c11e5..95b809f5 100644 --- a/src/components/pages/analysis/SingleAssayAnalysisPage.vue +++ b/src/components/pages/analysis/SingleAssayAnalysisPage.vue @@ -45,7 +45,7 @@ import AnalysisSummary from "@/components/analysis/AnalysisSummary.vue"; }) export default class SingleAssayAnalysisPage extends Vue { get activeAssay(): ProteomicsAssay { - return this.$store.getters.activeAssay; + return this.$store.getters.activeAssay?.assay; } private onUpdateSelectedTaxonId(id: number) { diff --git a/src/components/taxon/TaxaBrowser.vue b/src/components/taxon/TaxaBrowser.vue new file mode 100644 index 00000000..6b599960 --- /dev/null +++ b/src/components/taxon/TaxaBrowser.vue @@ -0,0 +1,155 @@ + + + + + diff --git a/src/components/validation/Rules.ts b/src/components/validation/Rules.ts index 4b2a1a7e..c6605492 100644 --- a/src/components/validation/Rules.ts +++ b/src/components/validation/Rules.ts @@ -34,6 +34,19 @@ export default class Rules { return pattern.test(x) || "An invalid URL is provided."; } + /** + * Is the provided string a valid JSON object? + * @param x + */ + public static json: (x: string) => boolean | string = (x: string) => { + try { + JSON.parse(x); + return true; + } catch (e) { + return "The provided value is not a valid JSON object."; + } + } + public static integer: (x: string) => boolean | string = (x: string) => { return Number.isInteger(Number.parseFloat(x)) || "Provided value is not a valid integer."; } diff --git a/src/db/migrations/v2_to_v3.sql b/src/db/migrations/v2_to_v3.sql new file mode 100644 index 00000000..a77756a7 --- /dev/null +++ b/src/db/migrations/v2_to_v3.sql @@ -0,0 +1,60 @@ +DROP TABLE peptide_trust; +DROP TABLE storage_metadata; +DROP TABLE search_configuration; +DROP TABLE assays; +DROP TABLE studies; + +CREATE TABLE studies ( + id TEXT PRIMARY KEY, + name TEXT NOT NULL +); + +CREATE TABLE assays ( + id TEXT PRIMARY KEY, + name TEXT NOT NULL, + study_id TEXT NOT NULL, + configuration_id INT NOT NULL, + /* + Endpoint that was last selected for this assay. This endpoint does not necessarily need to be the same as the one + selected for the storage_metadata table. This endpoint is only used to detect whether the assay needs to be + recomputed or not. + */ + endpoint TEXT, + FOREIGN KEY(study_id) REFERENCES studies(id), + FOREIGN KEY(configuration_id) REFERENCES search_configuration(id) +); + +CREATE TABLE search_configuration ( + id INTEGER PRIMARY KEY, + equate_il INT NOT NULL, + filter_duplicates INT NOT NULL, + missing_cleavage_handling INT NOT NULL +); + +CREATE TABLE peptide_trust ( + assay_id TEXT NOT NULL, + missed_peptides TEXT NOT NULL, + matched_peptides INT NOT NULL, + searched_peptides INT NOT NULL, + PRIMARY KEY(assay_id) +); + +CREATE TABLE storage_metadata ( + assay_id TEXT NOT NULL, + configuration_id INT NOT NULL, + endpoint TEXT, + /* + Unique fingerprint hash for the data that has been stored on the hard drive for this specific combination of + assay configuration properties. + */ + fingerprint TEXT, + /* + Hash of the files that are stored on the local filesystem. This hash can be used to verify the integrity of the + files containing the offline result data on the filesystem. Value for this column is the concatenation of + the hash for both the data buffer and index buffer files. + */ + data_hash TEXT, + analysis_date TEXT, + PRIMARY KEY(assay_id), + FOREIGN KEY(configuration_id) REFERENCES search_configuration(id) +); diff --git a/src/db/schemas/schema_v2.sql b/src/db/schemas/schema_v2.sql index b194a11f..e96e519d 100644 --- a/src/db/schemas/schema_v2.sql +++ b/src/db/schemas/schema_v2.sql @@ -1,38 +1,38 @@ CREATE TABLE studies ( - id TEXT PRIMARY KEY, - name TEXT NOT NULL + id TEXT PRIMARY KEY, + name TEXT NOT NULL ); CREATE TABLE assays ( - id TEXT PRIMARY KEY, - name TEXT NOT NULL, - study_id TEXT NOT NULL, - FOREIGN KEY(study_id) REFERENCES studies(id) + id TEXT PRIMARY KEY, + name TEXT NOT NULL, + study_id TEXT NOT NULL, + FOREIGN KEY(study_id) REFERENCES studies(id) ); CREATE TABLE search_configuration ( - id INTEGER PRIMARY KEY, - equate_il INT NOT NULL, - filter_duplicates INT NOT NULL, - missing_cleavage_handling INT NOT NULL + id INTEGER PRIMARY KEY, + equate_il INT NOT NULL, + filter_duplicates INT NOT NULL, + missing_cleavage_handling INT NOT NULL ); CREATE TABLE peptide_trust ( - assay_id TEXT NOT NULL, - missed_peptides TEXT NOT NULL, - matched_peptides INT NOT NULL, - searched_peptides INT NOT NULL, - PRIMARY KEY(assay_id) + assay_id TEXT NOT NULL, + missed_peptides TEXT NOT NULL, + matched_peptides INT NOT NULL, + searched_peptides INT NOT NULL, + PRIMARY KEY(assay_id) ); CREATE TABLE storage_metadata ( - assay_id TEXT NOT NULL, - configuration_id INT NOT NULL, - endpoint TEXT, - db_version TEXT, - analysis_date TEXT, - PRIMARY KEY(assay_id), - FOREIGN KEY(configuration_id) REFERENCES search_configuration(id) + assay_id TEXT NOT NULL, + configuration_id INT NOT NULL, + endpoint TEXT, + db_version TEXT, + analysis_date TEXT, + PRIMARY KEY(assay_id), + FOREIGN KEY(configuration_id) REFERENCES search_configuration(id) ); CREATE TABLE database_metadata ( diff --git a/src/db/schemas/schema_v3.sql b/src/db/schemas/schema_v3.sql new file mode 100644 index 00000000..802dcd1e --- /dev/null +++ b/src/db/schemas/schema_v3.sql @@ -0,0 +1,58 @@ +CREATE TABLE studies ( + id TEXT PRIMARY KEY, + name TEXT NOT NULL +); + +CREATE TABLE assays ( + id TEXT PRIMARY KEY, + name TEXT NOT NULL, + study_id TEXT NOT NULL, + configuration_id INT NOT NULL, + /* + Endpoint that was last selected for this assay. This endpoint does not necessarily need to be the same as the one + selected for the storage_metadata table. This endpoint is only used to detect whether the assay needs to be + recomputed or not. + */ + endpoint TEXT, + FOREIGN KEY(study_id) REFERENCES studies(id), + FOREIGN KEY(configuration_id) REFERENCES search_configuration(id) +); + +CREATE TABLE search_configuration ( + id INTEGER PRIMARY KEY, + equate_il INT NOT NULL, + filter_duplicates INT NOT NULL, + missing_cleavage_handling INT NOT NULL +); + +CREATE TABLE peptide_trust ( + assay_id TEXT NOT NULL, + missed_peptides TEXT NOT NULL, + matched_peptides INT NOT NULL, + searched_peptides INT NOT NULL, + PRIMARY KEY(assay_id) +); + +CREATE TABLE storage_metadata ( + assay_id TEXT NOT NULL, + configuration_id INT NOT NULL, + endpoint TEXT, + /* + Unique fingerprint hash for the data that has been stored on the hard drive for this specific combination of + assay configuration properties. + */ + fingerprint TEXT, + /* + Hash of the files that are stored on the local filesystem. This hash can be used to verify the integrity of the + files containing the offline result data on the filesystem. Value for this column is the concatenation of + the hash for both the data buffer and index buffer files. + */ + data_hash TEXT, + analysis_date TEXT, + PRIMARY KEY(assay_id), + FOREIGN KEY(configuration_id) REFERENCES search_configuration(id) +); + +CREATE TABLE database_metadata ( + application_version TEXT NOT NULL +); diff --git a/src/logic/application/BootstrapApplication.ts b/src/logic/application/BootstrapApplication.ts new file mode 100644 index 00000000..56c069ee --- /dev/null +++ b/src/logic/application/BootstrapApplication.ts @@ -0,0 +1,68 @@ +import ConfigurationManager from "@/logic/configuration/ConfigurationManager"; +import Configuration from "@/logic/configuration/Configuration"; +import { NetworkConfiguration, QueueManager } from "unipept-web-components"; +import DockerCommunicator from "@/logic/communication/docker/DockerCommunicator"; +import { Store } from "vuex"; +import CustomDatabaseManager from "@/logic/filesystem/docker/CustomDatabaseManager"; + +/** + * This class provides functions that need to be run when the application is started. All steps that are necessary for + * the proper functioning of this application should be performed in here. + * + * @author Pieter Verschaffelt + */ +export default class BootstrapApplication { + constructor( + private readonly store: Store + ) {} + + /** + * Start and load the different components required for the application to function properly. + */ + public async loadApplicationComponents(): Promise { + const config = await this.initializeConfiguration(); + this.initializeApi(config); + this.initializeWorkers(config); + this.initializeDocker(config); + this.initializeCustomDatabases(config); + this.initializeProcessing(config); + } + + private async initializeConfiguration(): Promise { + const configurationManager = new ConfigurationManager(); + return configurationManager.readConfiguration(); + } + + private initializeApi(config: Configuration): void { + NetworkConfiguration.BASE_URL = config.apiSource; + + // Make sure that the old Unipept URL is no longer being used... + if (NetworkConfiguration.BASE_URL === "https://unipept.ugent.be") { + NetworkConfiguration.BASE_URL = "https://api.unipept.ugent.be"; + } + + NetworkConfiguration.PARALLEL_API_REQUESTS = config.maxParallelRequests; + } + + private initializeWorkers(config: Configuration): void { + QueueManager.initializeQueue(config.maxLongRunningTasks); + } + + private initializeDocker(config: Configuration) { + DockerCommunicator.initializeConnection(JSON.parse(config.dockerConfigurationSettings)); + } + + private async initializeCustomDatabases(config: Configuration): Promise { + const customDatabaseManager = new CustomDatabaseManager(); + + const completeDbs = await customDatabaseManager.listAllBuildDatabases(config.customDbStorageLocation); + this.store.dispatch("initializeReadyDatabases", completeDbs) + + const incompleteDbs = await customDatabaseManager.listAllIncompleteDatabases(config.customDbStorageLocation); + this.store.dispatch("initializeQueue", [incompleteDbs, config]); + } + + private initializeProcessing(config: Configuration): void { + this.store.dispatch("initializeAssayQueue"); + } +} diff --git a/src/logic/communication/DesktopAssayProcessor.ts b/src/logic/communication/DesktopAssayProcessor.ts index 150938bb..108a31ad 100644 --- a/src/logic/communication/DesktopAssayProcessor.ts +++ b/src/logic/communication/DesktopAssayProcessor.ts @@ -13,10 +13,13 @@ import { } from "unipept-web-components"; import CachedCommunicationSource from "@/logic/communication/source/CachedCommunicationSource"; -import ProcessedAssayManager from "@/logic/filesystem/assay/processed/ProcessedAssayManager"; import { ShareableMap } from "shared-memory-datastructures"; import MetadataCommunicator from "@/logic/communication/metadata/MetadataCommunicator"; import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; +import DockerCommunicator from "@/logic/communication/docker/DockerCommunicator"; +import CustomDatabaseManager from "@/logic/filesystem/docker/CustomDatabaseManager"; +import ConfigurationManager from "@/logic/configuration/ConfigurationManager"; +import path from "path"; export default class DesktopAssayProcessor implements AssayProcessor { private pept2DataCommunicator: Pept2DataCommunicator; @@ -67,57 +70,90 @@ export default class DesktopAssayProcessor implements AssayProcessor { forceUpdate: boolean, searchSettings: SearchConfiguration ): Promise<[ShareableMap, PeptideTrust]> { - const processedAssayManager = new ProcessedAssayManager(this.dbManager); - const processingResult = await processedAssayManager.readProcessingResults(this.assay); - - if (processingResult !== null && !forceUpdate) { - return [processingResult.pept2DataMap, processingResult.peptideTrust]; - } else { - // We need to reprocess this assay and store the results in the database. - // Process assay and write results to database. - const pept2DataProgressNotifier: ProgressListener = { - onProgressUpdate: (val: number) => this.setProgress(val) - } - - // It's important that we keep track of the chosen settings before the analysis started. Otherwise the - // metadata could be wrong if the user decides to switch endpoint mid-analysis. - const currentDbVersion: string = await MetadataCommunicator.getRemoteUniprotVersion(); - const currentEndpoint: string = NetworkConfiguration.BASE_URL; - - this.pept2DataCommunicator = new Pept2DataCommunicator(); - - await this.pept2DataCommunicator.process( - peptideCountTable, - searchSettings, - pept2DataProgressNotifier - ); - - if (!this.cancelled) { - // @ts-ignore - const pept2ResponseMap: ShareableMap = this.pept2DataCommunicator.getPeptideResponseMap( - searchSettings - ); - const trust = await this.pept2DataCommunicator.getPeptideTrust( - peptideCountTable, - searchSettings - ); - - this.assay.setEndpoint(currentEndpoint); - this.assay.setDatabaseVersion(currentDbVersion); - this.assay.setDate(new Date()); - this.assay.setSearchConfiguration(searchSettings); - - // Store results and update metadata... - await processedAssayManager.storeProcessingResults(this.assay, pept2ResponseMap, trust, searchSettings); - - return [ - pept2ResponseMap, - trust - ]; - } else { - return [undefined, undefined]; - } - } + return [undefined, undefined]; + + // const processedAssayManager = new ProcessedAssayManager(this.dbManager); + // const processingResult = await processedAssayManager.readProcessingResults(this.assay); + // + // if (processingResult !== null && !forceUpdate) { + // return [processingResult.pept2DataMap, processingResult.peptideTrust]; + // } else { + // // We need to reprocess this assay and store the results in the database. + // // Process assay and write results to database. + // const pept2DataProgressNotifier: ProgressListener = { + // onProgressUpdate: (val: number) => this.setProgress(val) + // } + // + // if (this.assay.getEndpoint().startsWith("cdb://")) { + // // First, start the database container and then start up the web container (and make sure that the + // // base url points to the web container). + // const configManager = new ConfigurationManager(); + // const config = await configManager.readConfiguration(); + // + // const dbName = this.assay.getEndpoint().replace("cdb://", ""); + // + // const dockerCommunicator = new DockerCommunicator(); + // await dockerCommunicator.startDatabase(path.join(config.customDbStorageLocation, "databases", dbName)); + // + // await dockerCommunicator.startWebComponent(); + // + // NetworkConfiguration.BASE_URL = "http://localhost:3000/"; + // } else { + // NetworkConfiguration.BASE_URL = "http://unipept.ugent.be/"; + // } + // + // + // // It's important that we keep track of the chosen settings before the analysis started. Otherwise the + // // metadata could be wrong if the user decides to switch endpoint mid-analysis. + // const currentDbVersion: string = await MetadataCommunicator.getRemoteUniprotVersion(); + // const currentEndpoint: string = NetworkConfiguration.BASE_URL; + // + // this.pept2DataCommunicator = new Pept2DataCommunicator(); + // + // await this.pept2DataCommunicator.process( + // peptideCountTable, + // searchSettings, + // pept2DataProgressNotifier + // ); + // + // if (this.assay.getEndpoint().startsWith("cdb://")) { + // // We're done with retrieving the necessary information from our database containers. We should thus + // // stop these containers and continue with the analysis itself. + // const dockerCommunicator = new DockerCommunicator(); + // + // await dockerCommunicator.stopWebComponent(); + // await dockerCommunicator.stopDatabase(); + // } + // + // if (!this.cancelled) { + // // @ts-ignore + // const pept2ResponseMap: ShareableMap = this.pept2DataCommunicator.getPeptideResponseMap( + // searchSettings + // ); + // + // console.log("Getting peptide responses..."); + // + // const trust = await this.pept2DataCommunicator.getPeptideTrust( + // peptideCountTable, + // searchSettings + // ); + // + // this.assay.setEndpoint(currentEndpoint); + // this.assay.setDatabaseVersion(currentDbVersion); + // this.assay.setDate(new Date()); + // this.assay.setSearchConfiguration(searchSettings); + // + // // Store results and update metadata... + // await processedAssayManager.storeProcessingResults(this.assay, pept2ResponseMap, trust, searchSettings); + // + // return [ + // pept2ResponseMap, + // trust + // ]; + // } else { + // return [undefined, undefined]; + // } + // } } private setProgress(value: number) { diff --git a/src/logic/communication/analysis/CachedCustomDbAnalysisSource.ts b/src/logic/communication/analysis/CachedCustomDbAnalysisSource.ts new file mode 100644 index 00000000..650f7570 --- /dev/null +++ b/src/logic/communication/analysis/CachedCustomDbAnalysisSource.ts @@ -0,0 +1,44 @@ +import { AnalysisSource, ProteomicsAssay } from "unipept-web-components"; +import CustomDatabase from "@/logic/custom_database/CustomDatabase"; +import LocalPept2DataCommunicator from "@/logic/communication/peptides/LocalPept2DataCommunicator"; +import ConfigureableCommunicationSource from "@/logic/communication/source/ConfigureableCommunicationSource"; +import CachedGoResponseCommunicator from "@/logic/communication/functional/CachedGoResponseCommunicator"; +import CachedEcResponseCommunicator from "@/logic/communication/functional/CachedEcResponseCommunicator"; +import CachedInterproResponseCommunicator from "@/logic/communication/functional/CachedInterproResponseCommunicator"; +import CachedNcbiResponseCommunicator from "@/logic/communication/taxonomic/ncbi/CachedNcbiResponseCommunicator"; +import CachedPept2DataCommunicator from "@/logic/communication/peptides/CachedPept2DataCommunicator"; +import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; + +export default class CachedCustomDbAnalysisSource implements AnalysisSource { + constructor( + public readonly assay: ProteomicsAssay, + public readonly databaseMng: DatabaseManager, + public readonly customDatabase: CustomDatabase, + public readonly customDatabaseStorageLocation: string, + public readonly projectLocation: string + ) {} + + public getCommunicationSource() { + const pept2DataCommunicator = new LocalPept2DataCommunicator( + this.customDatabase, + this.customDatabaseStorageLocation + ); + + return new ConfigureableCommunicationSource( + new CachedPept2DataCommunicator(this.assay, pept2DataCommunicator, this.databaseMng, this.projectLocation), + new CachedGoResponseCommunicator(), + new CachedEcResponseCommunicator(), + new CachedInterproResponseCommunicator(), + new CachedNcbiResponseCommunicator() + ); + } + + public async computeFingerprint(): Promise { + return this.customDatabase.getDatabaseHash(); + } + + public async verifyEquality(hash: string): Promise { + const currentHash = await this.computeFingerprint(); + return currentHash === hash; + } +} diff --git a/src/logic/communication/analysis/CachedOnlineAnalysisSource.ts b/src/logic/communication/analysis/CachedOnlineAnalysisSource.ts new file mode 100644 index 00000000..ce5a4f9b --- /dev/null +++ b/src/logic/communication/analysis/CachedOnlineAnalysisSource.ts @@ -0,0 +1,49 @@ +import { AnalysisSource, MetaDataCommunicator, Pept2DataCommunicator, ProteomicsAssay } from "unipept-web-components"; +import crypto from "crypto"; +import ConfigureableCommunicationSource from "@/logic/communication/source/ConfigureableCommunicationSource"; +import CachedPept2DataCommunicator from "@/logic/communication/peptides/CachedPept2DataCommunicator"; +import CachedGoResponseCommunicator from "@/logic/communication/functional/CachedGoResponseCommunicator"; +import CachedEcResponseCommunicator from "@/logic/communication/functional/CachedEcResponseCommunicator"; +import CachedInterproResponseCommunicator from "@/logic/communication/functional/CachedInterproResponseCommunicator"; +import CachedNcbiResponseCommunicator from "@/logic/communication/taxonomic/ncbi/CachedNcbiResponseCommunicator"; +import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; + +export default class CachedOnlineAnalysisSource implements AnalysisSource { + constructor( + public readonly endpoint: string, + public readonly assay: ProteomicsAssay, + public readonly dbManager: DatabaseManager, + public readonly projectLocation: string + ) {} + + public async computeFingerprint(): Promise { + const metadataCommunicator = new MetaDataCommunicator(this.endpoint); + const dbVersion = await metadataCommunicator.getCurrentUniprotVersion(); + + const hash = crypto.createHash("sha256"); + console.log("Newly computed fingerprint: " + this.endpoint + dbVersion + this.assay.getId()); + hash.update(this.endpoint + dbVersion + this.assay.getId()); + + return hash.digest("base64"); + } + + public getCommunicationSource() { + return new ConfigureableCommunicationSource( + new CachedPept2DataCommunicator( + this.assay, + new Pept2DataCommunicator(this.endpoint), + this.dbManager, + this.projectLocation + ), + new CachedGoResponseCommunicator(), + new CachedEcResponseCommunicator(), + new CachedInterproResponseCommunicator(), + new CachedNcbiResponseCommunicator() + ); + } + + public async verifyEquality(hash: string): Promise { + const currentHash = await this.computeFingerprint(); + return currentHash === hash; + } +} diff --git a/src/logic/communication/docker/DockerCommunicator.ts b/src/logic/communication/docker/DockerCommunicator.ts new file mode 100644 index 00000000..2897edad --- /dev/null +++ b/src/logic/communication/docker/DockerCommunicator.ts @@ -0,0 +1,222 @@ +import Dockerode from "dockerode"; +import { NcbiId, ProgressListener } from "unipept-web-components"; +import ProgressInspectorStream from "@/logic/communication/docker/ProgressInspectorStream"; +import { promises as fs } from "fs"; +import mkdirp from "mkdirp"; +import CustomDatabase from "@/logic/custom_database/CustomDatabase"; +import StringNotifierInspectorStream from "@/logic/communication/docker/StringNotifierInspectorStream"; +import CustomDatabaseManager from "@/logic/filesystem/docker/CustomDatabaseManager"; +import ConfigurationManager from "@/logic/configuration/ConfigurationManager"; + + +export default class DockerCommunicator { + private static readonly BUILD_DB_CONTAINER_NAME = "unipept_desktop_build_database"; + private static readonly WEB_CONTAINER_NAME = "unipept_web"; + + public static readonly UNIX_DEFAULT_SETTINGS = JSON.stringify({ socketPath: "/var/run/docker.sock" }); + public static readonly WINDOWS_DEFAULT_SETTINGS = JSON.stringify({ + protocol: "tcp", + host: "127.0.0.1", + port: 2376 + }); + public static readonly WEB_COMPONENT_PUBLIC_URL = "http://localhost"; + public static readonly WEB_COMPONENT_PUBLIC_PORT = "3000"; + + public static connection: Dockerode; + + public static initializeConnection(config: Dockerode.DockerOptions) { + DockerCommunicator.connection = new Dockerode(config); + } + + /** + * Checks if Docker is installed and ready to use on this system. This method only returns true if Docker is + * completely ready to be utilized by this application. + */ + public getDockerInfo(): Promise { + return DockerCommunicator.connection.info(); + } + + /** + * Starts a new Docker container and begins by building the database with the given settings. This function resolves + * after the new database has been built. Once the database has been built, the container is automatically + * deleted (since the MySQL-generated database files are persisted on the file system). + * + * @param customDb A custom database instance that describes all the different properties that should hold true + * for the database we are about to create. + * @param databaseFolder Folder in which the database under construction should be stored. This folder should be + * empty. + * @param indexFolder Folder in which the constructed database index structure should be kept. + * @param progressListener A callback function that can be used to monitor the progress of building the database. + */ + public async buildDatabase( + customDb: CustomDatabase, + databaseFolder: string, + indexFolder: string, + progressListener: (step: string, progress: number, progress_step: number) => void + ): Promise { + if (!DockerCommunicator.connection) { + throw new Error("Connection to Docker daemon has not been initialized."); + } + + if ((await this.getContainerByName(DockerCommunicator.BUILD_DB_CONTAINER_NAME)) !== undefined) { + // A database build is already in progress! + throw new Error("A previous database build is still in progress."); + } + + // Clear the database output folder since this one will be filled up again by rebuilding the database. + await fs.rmdir(databaseFolder, { recursive: true }); + await mkdirp(databaseFolder); + + await new Promise((resolve) => { + DockerCommunicator.connection.run( + "pverscha/unipept-custom-db:1.1.1", + [], + new ProgressInspectorStream(progressListener, () => resolve(), (n: number) => customDb.entries = n), + { + Name: DockerCommunicator.BUILD_DB_CONTAINER_NAME, + Env: [ + "MYSQL_ROOT_PASSWORD=unipept", + "MYSQL_DATABASE=unipept", + "MYSQL_USER=unipept", + "MYSQL_PASSWORD=unipept", + `DB_TYPES=${customDb.sourceTypes.join(",")}`, + `DB_SOURCES=${customDb.sources.join(",")}`, + `FILTER_TAXA=${customDb.taxa.join(",")}` + ], + PortBindings: { + "3306/tcp": [{ + HostIP: "0.0.0.0", + HostPort: "3306" + }] + }, + Binds: [ + // Mount the folder in which the MySQL-specific database files will be kept + `${databaseFolder}:/var/lib/mysql`, + // Mount the folder in which the reusable database index structure will be kept + `${indexFolder}:/data` + ] + } + ); + }); + + customDb.complete = true; + + // Now, stop this container + const buildContainer = await this.getContainerByName(DockerCommunicator.BUILD_DB_CONTAINER_NAME); + return new Promise( + resolve => DockerCommunicator.connection.getContainer(buildContainer!.Id).stop(resolve) + ); + } + + public async startDatabase(databaseLocation: string): Promise { + await new Promise((resolve) => { + DockerCommunicator.connection.run( + "pverscha/unipept-custom-db:1.1.1", + [], + new ProgressInspectorStream((step: string, progress: number) => {}, () => resolve(), () => {}), + { + Name: DockerCommunicator.BUILD_DB_CONTAINER_NAME, + PortBindings: { + "3306/tcp": [{ + HostIP: "0.0.0.0", + HostPort: "3306" + }] + }, + Binds: [ + // Mount the folder in which the MySQL-specific database files will be kept + `${databaseLocation}:/var/lib/mysql` + ] + } + ); + }); + } + + /** + * Stop all of the running Docker database containers associated with the Unipept Desktop application. + */ + public stopDatabase(): Promise { + return this.stopContainer(DockerCommunicator.BUILD_DB_CONTAINER_NAME); + } + + /** + * Start a Docker container that connects to a database on port 3306 of the host computer and exposes a Unipept + * API service on port 3000 that can be connected to from this application. + */ + public async startWebComponent(): Promise { + await new Promise((resolve) => { + DockerCommunicator.connection.run( + "pverscha/unipept-web:1.0.0", + [], + new StringNotifierInspectorStream("Listening on", resolve), + { + Name: DockerCommunicator.WEB_CONTAINER_NAME, + PortBindings: { + "3000/tcp": [{ + HostIP: "0.0.0.0", + HostPort: DockerCommunicator.WEB_COMPONENT_PUBLIC_PORT + }] + } + } + ) + }); + } + + public stopWebComponent(): Promise { + return this.stopContainer(DockerCommunicator.WEB_CONTAINER_NAME); + } + + /** + * Close the connection to the Docker daemon and stop all running containers. This means that containers that + * are currently still being built will also be stopped and that their build-process needs to be restarted next + * time the application is started. + */ + public async closeConnection(): Promise { + const containers = await new Promise( + (resolve) => { + DockerCommunicator.connection.listContainers((err, containers) => resolve(containers)) + } + ); + + await Promise.all( + containers.map( + c => new Promise( + resolve => DockerCommunicator.connection.getContainer(c.Id).stop(resolve) + ) + ) + ); + } + + private async listUnipeptContainers(): Promise { + return (await DockerCommunicator.connection.listContainers()).filter((c: Dockerode.ContainerInfo) => { + return c.Names.filter(n => n.includes("unipept_desktop")); + }); + } + + /** + * Return all container details for a specific container by name. + * + * @param name The container name for which all details should be retrieved. + */ + private async getContainerByName(name: string): Promise { + const allWithName = (await DockerCommunicator.connection.listContainers()).filter( + (c: Dockerode.ContainerInfo) => { + return c.Names.filter(n => n.includes(name)); + } + ); + + if (allWithName && allWithName.length > 0) { + return allWithName[0]; + } + return undefined; + } + + private async stopContainer(name: string): Promise { + const containerInfo = await this.getContainerByName(name); + + if (containerInfo) { + return new Promise((resolve) => { + DockerCommunicator.connection.getContainer(containerInfo.Id).stop(resolve); + }); + } + } +} diff --git a/src/logic/communication/docker/ProgressInspectorStream.ts b/src/logic/communication/docker/ProgressInspectorStream.ts new file mode 100644 index 00000000..b36beb40 --- /dev/null +++ b/src/logic/communication/docker/ProgressInspectorStream.ts @@ -0,0 +1,46 @@ +import * as stream from "stream"; + +export default class ProgressInspectorStream extends stream.Writable { + constructor( + private readonly progressReporter: (step: string, progress: number, progress_step: number) => void, + private readonly onReadyListener: () => void, + private readonly entryCountReporter: (n: number) => void + ) { + super(); + } + + _write(chunk: any, enc: string, callback: any) { + console.log(chunk.toString()); + + const lines = chunk.toString().split("\n"); + + const progressReports: [string, number, number][] = lines + .filter((l: string) => l.includes("PROGRESS")) + .map((l: string) => l.split("<->").map((x: string) => x.trim()).slice(1)) + .map((parts: string[]) => [parts[0], Number.parseInt(parts[1]), Number.parseInt(parts[2])]); + + if (progressReports.length > 0) { + const [step, value, progress_step] = progressReports[progressReports.length - 1]; + this.progressReporter(step, value, progress_step); + } + + if ( + chunk.toString().includes("Database contains: ") + ) { + this.entryCountReporter(parseInt(chunk.toString().split("##")[1])); + } + + // If this text appears in the Docker logs, we now that the server has been started. + if ( + chunk.toString().includes( + "X Plugin ready for connections." + ) + ) { + // Wait 2 more seconds for the server to be completely ready and then notify all listeners that the database + // has been successfully built. + setTimeout(() => this.onReadyListener(), 2000); + } + + callback(); + } +} diff --git a/src/logic/communication/docker/StringNotifierInspectorStream.ts b/src/logic/communication/docker/StringNotifierInspectorStream.ts new file mode 100644 index 00000000..bea7a487 --- /dev/null +++ b/src/logic/communication/docker/StringNotifierInspectorStream.ts @@ -0,0 +1,31 @@ +import * as stream from "stream"; + +/** + * This is a special kind of stream that inspects a stream of data that passes through it and invokes a callback + * everytime a specific text is observed. + * + * @author Pieter Verschaffelt + */ +export default class StringNotifierInspectorStream extends stream.Writable { + /** + * @param textToObserve Everytime this text is observed the callback provided to the argument "listener" will be + * invoked. + * @param listener This function will be invoked everytime the given text has been observed. + */ + constructor( + private readonly textToObserve: string, + private readonly listener: () => void + ) { + super(); + } + + _write(chunk: any, enc: string, callback: any) { + const textOccurrences = (chunk.toString().match(this.textToObserve) || []).length; + + for (let i = 0; i < textOccurrences; i++) { + this.listener(); + } + + callback(); + } +} diff --git a/src/logic/communication/functional/CachedEcResponseCommunicator.ts b/src/logic/communication/functional/CachedEcResponseCommunicator.ts index e3832ecf..bcd38546 100644 --- a/src/logic/communication/functional/CachedEcResponseCommunicator.ts +++ b/src/logic/communication/functional/CachedEcResponseCommunicator.ts @@ -6,41 +6,39 @@ import { Database } from "better-sqlite3"; export default class CachedEcResponseCommunicator extends EcResponseCommunicator { private static codeToResponses: Map = new Map(); private static processing: Promise>; - private readonly dbManager: DatabaseManager; + private readonly db: Database; constructor() { super(); try { const staticDatabaseManager = new StaticDatabaseManager(); - this.dbManager = staticDatabaseManager.getDatabaseManager(); + this.db = staticDatabaseManager.getDatabase(); } catch (err) { console.warn("Gracefully falling back to online communicators..."); } } public async process(codes: EcCode[]): Promise { - if (!this.dbManager) { + if (!this.db) { return super.process(codes); } - await this.dbManager.performQuery((db: Database) => { - const stmt = db.prepare("SELECT * FROM ec_numbers WHERE `code` = ?"); + const stmt = this.db.prepare("SELECT * FROM ec_numbers WHERE `code` = ?"); - for (const code of codes) { - const row = stmt.get(code.substr(3)); + for (const code of codes) { + const row = stmt.get(code.substr(3)); - if (row) { - CachedEcResponseCommunicator.codeToResponses.set(code, { - code: "EC:" + row.code, - name: row.name - }); - } + if (row) { + CachedEcResponseCommunicator.codeToResponses.set(code, { + code: "EC:" + row.code, + name: row.name + }); } - }); + } } public getResponse(code: EcCode): EcResponse { - if (!this.dbManager) { + if (!this.db) { return super.getResponse(code); } @@ -48,7 +46,7 @@ export default class CachedEcResponseCommunicator extends EcResponseCommunicator } public getResponseMap(): Map { - if (!this.dbManager) { + if (!this.db) { return super.getResponseMap(); } diff --git a/src/logic/communication/functional/CachedGoResponseCommunicator.ts b/src/logic/communication/functional/CachedGoResponseCommunicator.ts index e8369044..44cfa9ac 100644 --- a/src/logic/communication/functional/CachedGoResponseCommunicator.ts +++ b/src/logic/communication/functional/CachedGoResponseCommunicator.ts @@ -6,42 +6,40 @@ import { Database } from "better-sqlite3"; export default class CachedGoResponseCommunicator extends GoResponseCommunicator { private static codeToResponses: Map = new Map(); private static processing: Promise>; - private readonly dbManager: DatabaseManager; + private readonly db: Database; constructor() { super(); try { const staticDatabaseManager = new StaticDatabaseManager(); - this.dbManager = staticDatabaseManager.getDatabaseManager(); + this.db = staticDatabaseManager.getDatabase(); } catch (err) { console.warn("Gracefully falling back to online communicators..."); } } public async process(codes: string[]): Promise { - if (!this.dbManager) { + if (!this.db) { return super.process(codes); } - await this.dbManager.performQuery((db: Database) => { - const stmt = db.prepare("SELECT * FROM go_terms WHERE `code` = ?"); + const stmt = this.db.prepare("SELECT * FROM go_terms WHERE `code` = ?"); - for (const code of codes) { - const row = stmt.get(code); + for (const code of codes) { + const row = stmt.get(code); - if (row) { - CachedGoResponseCommunicator.codeToResponses.set(code, { - code: row.code, - namespace: row.namespace, - name: row.name - }); - } + if (row) { + CachedGoResponseCommunicator.codeToResponses.set(code, { + code: row.code, + namespace: row.namespace, + name: row.name + }); } - }); + } } public getResponse(code: string): GoResponse { - if (!this.dbManager) { + if (!this.db) { return super.getResponse(code); } @@ -49,7 +47,7 @@ export default class CachedGoResponseCommunicator extends GoResponseCommunicator } public getResponseMap(): Map { - if (!this.dbManager) { + if (!this.db) { return super.getResponseMap(); } diff --git a/src/logic/communication/functional/CachedInterproResponseCommunicator.ts b/src/logic/communication/functional/CachedInterproResponseCommunicator.ts index 3a5cf384..cde1df3f 100644 --- a/src/logic/communication/functional/CachedInterproResponseCommunicator.ts +++ b/src/logic/communication/functional/CachedInterproResponseCommunicator.ts @@ -5,42 +5,40 @@ import { Database } from "better-sqlite3"; export default class CachedInterproResponseCommunicator extends InterproResponseCommunicator { private static codeToResponses: Map = new Map(); - private readonly dbManager: DatabaseManager; + private readonly db: Database; constructor() { super(); try { const staticDatabaseManager = new StaticDatabaseManager(); - this.dbManager = staticDatabaseManager.getDatabaseManager(); + this.db = staticDatabaseManager.getDatabase(); } catch (err) { console.warn("Gracefully falling back to online communicators..."); } } public async process(codes: string[]): Promise { - if (!this.dbManager) { + if (!this.db) { return super.process(codes as unknown as string[]); } - await this.dbManager.performQuery((db: Database) => { - const stmt = db.prepare("SELECT * FROM interpro_entries WHERE `code` = ?"); + const stmt = this.db.prepare("SELECT * FROM interpro_entries WHERE `code` = ?"); - for (const code of codes) { - const row = stmt.get(code.substr(4)); + for (const code of codes) { + const row = stmt.get(code.substr(4)); - if (row) { - CachedInterproResponseCommunicator.codeToResponses.set(code, { - code: "IPR:" + row.code, - name: row.name, - category: row.category - }); - } + if (row) { + CachedInterproResponseCommunicator.codeToResponses.set(code, { + code: "IPR:" + row.code, + name: row.name, + category: row.category + }); } - }); + } } public getResponse(code: InterproCode): InterproResponse { - if (!this.dbManager) { + if (!this.db) { return super.getResponse(code as unknown as string); } @@ -48,7 +46,7 @@ export default class CachedInterproResponseCommunicator extends InterproResponse } public getResponseMap(): Map { - if (!this.dbManager) { + if (!this.db) { return super.getResponseMap(); } diff --git a/src/logic/communication/metadata/MetadataCommunicator.ts b/src/logic/communication/metadata/MetadataCommunicator.ts index a07cb6ed..c0a09489 100644 --- a/src/logic/communication/metadata/MetadataCommunicator.ts +++ b/src/logic/communication/metadata/MetadataCommunicator.ts @@ -3,10 +3,15 @@ import { NetworkConfiguration, NetworkUtils } from "unipept-web-components"; export default class MetadataCommunicator { private static METADATA_ENDPOINT: string = "/private_api/metadata"; - public static async getRemoteUniprotVersion(): Promise { + /** + * Looks up what the most recent UniProt-version is that is available at the endpoint for the given URL. + * + * @param baseUrl URL for the endpoint from which the UniProt-version should be retrieved. + */ + public static async getRemoteUniprotVersion(baseUrl: string): Promise { try { const result = await NetworkUtils.getJSON( - NetworkConfiguration.BASE_URL + MetadataCommunicator.METADATA_ENDPOINT + baseUrl + MetadataCommunicator.METADATA_ENDPOINT ); return "UniProt " + result["db_version"]; } catch (err) { diff --git a/src/logic/communication/peptides/CachedPept2DataCommunicator.ts b/src/logic/communication/peptides/CachedPept2DataCommunicator.ts new file mode 100644 index 00000000..47b90cc8 --- /dev/null +++ b/src/logic/communication/peptides/CachedPept2DataCommunicator.ts @@ -0,0 +1,63 @@ +import { + CountTable, + Pept2DataCommunicator, + Peptide, + PeptideData, + PeptideTrust, + ProgressListener, + ProteomicsAssay, + SearchConfiguration +} from "unipept-web-components"; +import { ShareableMap } from "shared-memory-datastructures"; +import CachedResultsManager from "@/logic/filesystem/assay/processed/CachedResultsManager"; +import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; +import PeptideTrustManager from "@/logic/filesystem/trust/PeptideTrustManager"; + +/** + * Special type of Pept2DataCommunicator that will always first check if data for the given sample is present in the + * project's cache. If that data *is* present and it is valid, it will be returned by the communicator. If it is not + * present or the cache state is invalid (i.e. does not correspond to all of the current properties of the assay), it + * will use the Pept2DataCommunicator that was passed in the constructor and retrieve the results through there. + * + * @author Pieter Verschaffelt + */ +export default class CachedPept2DataCommunicator extends Pept2DataCommunicator { + constructor( + private readonly assay: ProteomicsAssay, + private readonly invalidCacheCommunicator: Pept2DataCommunicator, + private readonly databaseMng: DatabaseManager, + private readonly projectLocation: string + ) { + super(invalidCacheCommunicator.serviceUrl); + } + + public async process( + countTable: CountTable, + configuration: SearchConfiguration, + progressListener?: ProgressListener + ): Promise<[ShareableMap, PeptideTrust]> { + const cachedResultsManager = new CachedResultsManager(this.databaseMng, this.projectLocation); + + if (await cachedResultsManager.verifyCacheIntegrity(this.assay)) { + const pept2data = (await cachedResultsManager.readProcessingResults(this.assay)).pept2DataMap; + const trustMng = new PeptideTrustManager(this.databaseMng); + const trust = await trustMng.readTrust(this.assay.getId()); + return [pept2data, trust]; + } else { + // If the data is not yet present in the local database, we first compute it and then store the result + // in the local database. + const [data, trust] = await this.invalidCacheCommunicator.process(countTable, configuration, progressListener); + const dataMng = new CachedResultsManager(this.databaseMng, this.projectLocation); + + // @ts-ignore + dataMng.storeProcessingResults( + this.assay, + data, + trust, + this.assay.getSearchConfiguration() + ); + + return new Promise<[ShareableMap, PeptideTrust]>(resolve => resolve([data, trust])); + } + } +} diff --git a/src/logic/communication/peptides/LocalPept2DataCommunicator.ts b/src/logic/communication/peptides/LocalPept2DataCommunicator.ts new file mode 100644 index 00000000..0dc321b0 --- /dev/null +++ b/src/logic/communication/peptides/LocalPept2DataCommunicator.ts @@ -0,0 +1,59 @@ +import { + CountTable, + Pept2DataCommunicator, + Peptide, + PeptideData, PeptideTrust, + ProgressListener, + SearchConfiguration +} from "unipept-web-components"; +import CustomDatabase from "@/logic/custom_database/CustomDatabase"; +import DockerCommunicator from "@/logic/communication/docker/DockerCommunicator"; +import { ShareableMap } from "shared-memory-datastructures"; + +import path from "path"; + +/** + * This is a specific implementation of the Pept2DataCommunicator that more-or-less serves as a proxy. It is responsible + * for starting the Docker-service, connect to the associated server and retrieve all results when they are available. + * (The items are retrieved in the same way as the original Pept2DataCommunicator, the only thing that is different is + * the setup and connection process). + * + * @author Pieter Verschaffelt + */ +export default class LocalPept2DataCommunicator extends Pept2DataCommunicator { + /** + * @param customDatabase The database that should be used during the analysis of samples for this communicator. + * @param customDatabaseLocation Root folder of where all the custom databases are stored on the user's system. + */ + constructor( + private readonly customDatabase: CustomDatabase, + private readonly customDatabaseLocation: string + ) { + super( + `${DockerCommunicator.WEB_COMPONENT_PUBLIC_URL}/${DockerCommunicator.WEB_COMPONENT_PUBLIC_PORT}` + ); + } + + public async process( + countTable: CountTable, + configuration: SearchConfiguration, + progressListener?: ProgressListener + ): Promise<[ShareableMap, PeptideTrust]> { + // Start up the web component of the web browser. + const dockerCommunicator = new DockerCommunicator(); + await dockerCommunicator.startDatabase( + path.join(this.customDatabaseLocation, "databases", this.customDatabase.name) + ); + await dockerCommunicator.startWebComponent(); + // @ts-ignore + const result: [ShareableMap, PeptideTrust] = await super.process( + countTable, + configuration, + progressListener + ); + await dockerCommunicator.stopWebComponent(); + await dockerCommunicator.stopDatabase(); + + return new Promise<[ShareableMap, PeptideTrust]>((resolve) => resolve(result)); + } +} diff --git a/src/logic/communication/raw/CachedPept2DataCommunicator.ts b/src/logic/communication/raw/CachedPept2DataCommunicator.ts deleted file mode 100644 index 01a4b2ad..00000000 --- a/src/logic/communication/raw/CachedPept2DataCommunicator.ts +++ /dev/null @@ -1,63 +0,0 @@ -import { - CountTable, - Peptide, - SearchConfiguration, - ProgressListener, - PeptideTrust, - Pept2DataCommunicator, - PeptideData -} from "unipept-web-components"; - -import { ShareableMap } from "shared-memory-datastructures"; - - -/** - * A cached variant of the Pept2DataCommunicator that persistently stores the results in the SQLite-database associated - * with a specific project. This way all communication performed to analyse an assay does not need to be repeated when - * restarting the application. - * - * @author Pieter Verschaffelt - */ -export default class CachedPept2DataCommunicator extends Pept2DataCommunicator { - constructor( - private readonly peptideToResponse: ShareableMap, - private readonly peptideTrust: PeptideTrust, - private readonly initialConfiguration: SearchConfiguration - ) { - super(); - } - - public async process( - countTable: CountTable, - configuration: SearchConfiguration, - progressListener?: ProgressListener - ): Promise { - // Does not need to do anything as this processor - return; - } - - public async getPeptideTrust( - countTable: CountTable, - configuration: SearchConfiguration - ): Promise { - if (configuration.toString() !== this.initialConfiguration.toString()) { - throw "Communicator was configured with different configuration!"; - } - return this.peptideTrust; - } - - public getPeptideResponse(peptide: string, configuration: SearchConfiguration): PeptideData { - if (configuration.toString() !== this.initialConfiguration.toString()) { - throw "Communicator was configured with different configuration!"; - } - return this.peptideToResponse.get(peptide); - } - - // @ts-ignore - public getPeptideResponseMap(configuration: SearchConfiguration): ShareableMap { - if (configuration.toString() !== this.initialConfiguration.toString()) { - throw "Communicator was configured with different configuration!"; - } - return this.peptideToResponse; - } -} diff --git a/src/logic/communication/source/CachedCommunicationSource.ts b/src/logic/communication/source/CachedCommunicationSource.ts index 24a784c1..d48f6157 100644 --- a/src/logic/communication/source/CachedCommunicationSource.ts +++ b/src/logic/communication/source/CachedCommunicationSource.ts @@ -11,7 +11,7 @@ import { NcbiResponseCommunicator } from "unipept-web-components"; -import CachedPept2DataCommunicator from "@/logic/communication/raw/CachedPept2DataCommunicator"; +import CachedPept2DataCommunicator from "@/logic/communication/peptides/CachedPept2DataCommunicator"; import CachedNcbiResponseCommunicator from "@/logic/communication/taxonomic/ncbi/CachedNcbiResponseCommunicator"; import CachedEcResponseCommunicator from "@/logic/communication/functional/CachedEcResponseCommunicator"; import CachedGoResponseCommunicator from "@/logic/communication/functional/CachedGoResponseCommunicator"; diff --git a/src/logic/communication/static/StaticDatabaseManager.ts b/src/logic/communication/static/StaticDatabaseManager.ts index 0bad8cb1..d8d29457 100644 --- a/src/logic/communication/static/StaticDatabaseManager.ts +++ b/src/logic/communication/static/StaticDatabaseManager.ts @@ -6,6 +6,7 @@ import { ProgressListener } from "unipept-web-components"; import yauzl, { Entry, ZipFile } from "yauzl"; import { Readable } from "stream"; import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; +import sqlite3 from "better-sqlite3"; const { app } = require("electron").remote; @@ -22,7 +23,7 @@ export default class StaticDatabaseManager { public static readonly STATIC_DB_VERSION_POINTER = "https://raw.githubusercontent.com/unipept/make-database/master/workflows/static_database/version.txt"; public static readonly STATIC_DB_URL = "https://github.com/unipept/make-database/releases/latest/download/"; - private static dbManager: DatabaseManager; + private static db: sqlite3.Database; /** * Check if the most recent version of the static information database is present in the userdata folder. If the @@ -174,11 +175,12 @@ export default class StaticDatabaseManager { * Returns an instance of the static database that can be queried immediately. Throws an error if the static * database file seems not to be present. */ - public getDatabaseManager(): DatabaseManager { - if (!StaticDatabaseManager.dbManager) { - StaticDatabaseManager.dbManager = new DatabaseManager(this.getDatabasePath()); + public getDatabase(): sqlite3.Database { + if (!StaticDatabaseManager.db) { + StaticDatabaseManager.db = new sqlite3(this.getDatabasePath()); } - return StaticDatabaseManager.dbManager; + + return StaticDatabaseManager.db; } public getDatabasePath(): string { diff --git a/src/logic/communication/taxonomic/ncbi/CachedNcbiResponseCommunicator.ts b/src/logic/communication/taxonomic/ncbi/CachedNcbiResponseCommunicator.ts index 5d296eb5..74dc7665 100644 --- a/src/logic/communication/taxonomic/ncbi/CachedNcbiResponseCommunicator.ts +++ b/src/logic/communication/taxonomic/ncbi/CachedNcbiResponseCommunicator.ts @@ -5,32 +5,36 @@ import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; import { NcbiRank } from "unipept-web-components/src/business/ontology/taxonomic/ncbi/NcbiRank"; export default class CachedNcbiResponseCommunicator extends NcbiResponseCommunicator { - private readonly dbManager: DatabaseManager; + private readonly db: Database; private static codesProcessed: Map = new Map(); + private static staticDbProgress: Promise; + private static worker: Worker; + constructor() { super(); try { const staticDatabaseManager = new StaticDatabaseManager(); - this.dbManager = staticDatabaseManager.getDatabaseManager(); + this.db = staticDatabaseManager.getDatabase(); } catch (err) { + console.error(err); console.warn("Gracefully falling back to online communicators..."); } } public async process(codes: NcbiId[]): Promise { - if (!this.dbManager) { + if (!this.db) { await super.process(codes); } else { const ranks = Object.values(NcbiRank).map(rank => rank.replace(" ", "_")); const lineagesToExtract: NcbiId[] = []; - await this.dbManager.performQuery((db: Database) => { - const extractStmt = db.prepare( - "SELECT * FROM taxons INNER JOIN lineages ON taxons.id = lineages.taxon_id WHERE `id` = ?" - ); + let extractStmt = this.db.prepare( + "SELECT * FROM taxons INNER JOIN lineages ON taxons.id = lineages.taxon_id WHERE `id` = ?" + ); - for (const id of codes) { + for (const id of codes) { + if (id) { const row = extractStmt.get(id); if (row) { const lineage = ranks.map(rank => row[rank]).map(el => el === "\\N" ? null : el); @@ -44,16 +48,16 @@ export default class CachedNcbiResponseCommunicator extends NcbiResponseCommunic }); } } - }); + } - await this.dbManager.performQuery((db: Database) => { - const extractStmt = db.prepare( - "SELECT * FROM taxons INNER JOIN lineages ON taxons.id = lineages.taxon_id WHERE `id` = ?" - ); + extractStmt = this.db.prepare( + "SELECT * FROM taxons INNER JOIN lineages ON taxons.id = lineages.taxon_id WHERE `id` = ?" + ); - for (const id of lineagesToExtract.filter( - (c) => !CachedNcbiResponseCommunicator.codesProcessed.has(c) - )) { + for (const id of lineagesToExtract.filter( + (c) => !CachedNcbiResponseCommunicator.codesProcessed.has(c) + )) { + if (id) { const row = extractStmt.get(id); if (row) { const lineage = ranks.map(rank => row[rank]).map(el => el === "\\N" ? null : el); @@ -66,21 +70,60 @@ export default class CachedNcbiResponseCommunicator extends NcbiResponseCommunic }); } } - }); + } } } public getResponse(id: NcbiId): NcbiResponse { - if (!this.dbManager) { + if (!this.db) { return super.getResponse(id); } return CachedNcbiResponseCommunicator.codesProcessed.get(id); } public getResponseMap(): Map { - if (!this.dbManager) { + if (!this.db) { return super.getResponseMap(); } return CachedNcbiResponseCommunicator.codesProcessed; } + + /** + * Returns the amount of NCBI taxa that are known to the database underlying the application. An optional filter + * string can be given that allows the database to be filtered by all taxa that contain a specific text in their + * name. + * + * @param nameFilter A portion of text that should be present in the name of all taxa that are returned by this + * function. + */ + public getNcbiCount(nameFilter: string = ""): number { + return this.db.prepare("SELECT COUNT(id) FROM taxons WHERE name LIKE ?") + .get(`%${nameFilter}%`)["COUNT(id)"]; + } + + /** + * Returns a slice of all NCBI id's from the database starting from row number start (inclusive) and ending at end + * (exclusive). Note that if a specific name filter is given, only taxa that contain this text as portion of their + * name will be returned. + * + * @param start First NCBI id that should be included in the result (inclusive). + * @param end First NCBI id that should not be included in the result (exclusive). + * @param nameFilter A portion of text that should be present in the name of all taxa that are returned by this + * function. + * @param sortBy Which taxon property should be used to sort the table? + * @param sortDescending Sort according to ascending or descending values in the selected column? + */ + public getNcbiRange( + start: number, + end: number, + nameFilter: string = "", + sortBy: "id" | "name" | "rank" = "id", + sortDescending: boolean = true + ): NcbiId[] { + return this.db.prepare( + `SELECT id, name, rank FROM taxons WHERE name LIKE ? ORDER BY ${sortBy} ${ sortDescending ? "ASC": "DESC" } LIMIT ? OFFSET ?` + ) + .all(`%${nameFilter}%`, end - start, start) + .map((item: any) => item.id); + } } diff --git a/src/logic/configuration/Configuration.ts b/src/logic/configuration/Configuration.ts index bbf2ee19..059f2b45 100644 --- a/src/logic/configuration/Configuration.ts +++ b/src/logic/configuration/Configuration.ts @@ -3,4 +3,6 @@ export default interface Configuration { useNativeTitlebar: boolean; maxLongRunningTasks: number; maxParallelRequests: number; + dockerConfigurationSettings: string; + customDbStorageLocation: string; } diff --git a/src/logic/configuration/ConfigurationManager.ts b/src/logic/configuration/ConfigurationManager.ts index d644a29d..85aa9df3 100644 --- a/src/logic/configuration/ConfigurationManager.ts +++ b/src/logic/configuration/ConfigurationManager.ts @@ -4,6 +4,9 @@ import Configuration from "./Configuration"; import fs from "fs"; // import { promises as fs } from 'fs'; import { App } from "electron"; +import Utils from "@/logic/Utils"; +import DockerCommunicator from "@/logic/communication/docker/DockerCommunicator"; + export default class ConfigurationManager { // The name of the file that's used to store the settings in. @@ -14,7 +17,10 @@ export default class ConfigurationManager { apiSource: "https://api.unipept.ugent.be", useNativeTitlebar: false, maxLongRunningTasks: 8, - maxParallelRequests: 2 + maxParallelRequests: 3, + dockerConfigurationSettings: + Utils.isWindows() ? DockerCommunicator.WINDOWS_DEFAULT_SETTINGS : DockerCommunicator.UNIX_DEFAULT_SETTINGS, + customDbStorageLocation: "/Volumes/T7/unipept-db" }; // Reference to the last configuration that was returned by this manager. Can be used to update the current // configuration and write the changes to disk (without having to read it again). @@ -28,7 +34,17 @@ export default class ConfigurationManager { return Number.isInteger(config.maxParallelRequests) && config.maxParallelRequests <= 10 && config.maxParallelRequests >= 1 - } + }, + (config: Configuration) => { + // Check if the given Docker-config value is a valid JSON object. + try { + JSON.parse(config.dockerConfigurationSettings); + return true; + } catch (e) { + return false; + } + }, + (config: Configuration) => config.customDbStorageLocation !== "" ] private app: App; diff --git a/src/logic/custom_database/CustomDatabase.ts b/src/logic/custom_database/CustomDatabase.ts new file mode 100644 index 00000000..fa72623c --- /dev/null +++ b/src/logic/custom_database/CustomDatabase.ts @@ -0,0 +1,26 @@ +import { NcbiId } from "unipept-web-components"; +import crypto from "crypto"; + +export default class CustomDatabase { + constructor( + public readonly name: string, + public readonly sources: string[], + public readonly sourceTypes: string[], + public readonly taxa: NcbiId[], + // Amount of entries that are present in this filtered database. + public entries: number, + public readonly databaseVersion: string, + // Has the database successfully been built? + public complete: boolean = false + ) {} + + /** + * Two custom databases are the same iff they produce the same hash value. This means that the original source, + * source types, taxa and name of the database are also equal. + */ + public getDatabaseHash(): string { + return crypto.createHash("sha256").update( + this.name + this.sources.toString() + this.sourceTypes.toString() + this.taxa.toString() + ).digest("base64"); + } +} diff --git a/src/logic/filesystem/analysis/AnalysisSourceSerializer.ts b/src/logic/filesystem/analysis/AnalysisSourceSerializer.ts new file mode 100644 index 00000000..53924da3 --- /dev/null +++ b/src/logic/filesystem/analysis/AnalysisSourceSerializer.ts @@ -0,0 +1,54 @@ +import { AnalysisSource, OnlineAnalysisSource, ProteomicsAssay } from "unipept-web-components"; +import ConfigurationManager from "@/logic/configuration/ConfigurationManager"; +import CustomDatabaseManager from "@/logic/filesystem/docker/CustomDatabaseManager"; +import CustomDatabase from "@/logic/custom_database/CustomDatabase"; +import CachedCustomDbAnalysisSource from "@/logic/communication/analysis/CachedCustomDbAnalysisSource"; +import CachedOnlineAnalysisSource from "@/logic/communication/analysis/CachedOnlineAnalysisSource"; +import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; + +export default class AnalysisSourceSerializer { + public static serializeAnalysisSource(source: AnalysisSource): string { + if (source instanceof CachedOnlineAnalysisSource || source instanceof OnlineAnalysisSource) { + return source.getCommunicationSource().getPept2DataCommunicator().serviceUrl; + } else if (source instanceof CachedCustomDbAnalysisSource) { + return `cdb://${source.customDatabase.name}`; + } + } + + public static async deserializeAnalysisSource( + serializedSource: string, + assay: ProteomicsAssay, + dbManager: DatabaseManager, + projectLocation: string + ): Promise { + let analysisSource: AnalysisSource; + if (serializedSource.startsWith("cdb://")) { + const dbName = serializedSource.replace("cdb://", ""); + + const configMng = new ConfigurationManager(); + const customDbLocation: string = (await configMng.readConfiguration()).customDbStorageLocation; + + const customDbManager = new CustomDatabaseManager(); + const customDb = (await customDbManager.listAllDatabases(customDbLocation)).filter( + (db: CustomDatabase) => db.name === dbName + )[0]; + + analysisSource = new CachedCustomDbAnalysisSource( + assay, + dbManager, + customDb, + customDbLocation, + projectLocation + ); + } else { + analysisSource = new CachedOnlineAnalysisSource( + serializedSource, + assay, + dbManager, + projectLocation + ); + } + + return analysisSource; + } +} diff --git a/src/logic/filesystem/assay/AssayFileSystemDataReader.ts b/src/logic/filesystem/assay/AssayFileSystemDataReader.ts index b11271ef..0b3979b2 100644 --- a/src/logic/filesystem/assay/AssayFileSystemDataReader.ts +++ b/src/logic/filesystem/assay/AssayFileSystemDataReader.ts @@ -1,47 +1,89 @@ import FileSystemAssayVisitor from "@/logic/filesystem/assay/FileSystemAssayVisitor"; -import { ProteomicsAssay, IOException, QueueManager } from "unipept-web-components"; +import { ProteomicsAssay, IOException, QueueManager, Assay, Study, SearchConfiguration } from "unipept-web-components"; import { promises as fs } from "fs"; import Worker from "worker-loader?inline=fallback!./AssayFileSystemDataReader.worker"; +import { Database } from "better-sqlite3"; +import { + AssayTableRow, +} from "@/logic/filesystem/database/Schema"; +import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; +import AnalysisSourceSerializer from "@/logic/filesystem/analysis/AnalysisSourceSerializer"; +import SearchConfigManager from "@/logic/filesystem/configuration/SearchConfigManager"; +import StorageMetadataManager from "@/logic/filesystem/metadata/StorageMetadataManager"; export default class AssayFileSystemDataReader extends FileSystemAssayVisitor { private static inProgress: Promise; private static worker: Worker; + constructor( + directoryPath: string, + dbManager: DatabaseManager, + private readonly projectLocation: string, + private readonly study?: Study + ) { + super(directoryPath, dbManager); + } + public async visitProteomicsAssay(mpAssay: ProteomicsAssay): Promise { const path: string = `${this.directoryPath}${mpAssay.getName()}.pep`; - try { - const peptidesString: string = await fs.readFile(path, { - encoding: "utf-8" - }); + // First, try to read in all of the peptides for this assay. + const peptidesString: string = await fs.readFile(path, { + encoding: "utf-8" + }); - while (AssayFileSystemDataReader.inProgress) { - await AssayFileSystemDataReader.inProgress; + while (AssayFileSystemDataReader.inProgress) { + await AssayFileSystemDataReader.inProgress; + } + + AssayFileSystemDataReader.inProgress = new Promise((resolve) => { + if (!AssayFileSystemDataReader.worker) { + AssayFileSystemDataReader.worker = new Worker(); } - AssayFileSystemDataReader.inProgress = new Promise((resolve) => { - if (!AssayFileSystemDataReader.worker) { - AssayFileSystemDataReader.worker = new Worker(); - } + const eventListener = (message: MessageEvent) => { + AssayFileSystemDataReader.worker.removeEventListener("message", eventListener); + resolve(message.data); + }; - const eventListener = (message: MessageEvent) => { - AssayFileSystemDataReader.worker.removeEventListener("message", eventListener); - resolve(message.data); - }; + AssayFileSystemDataReader.worker.addEventListener("message", eventListener); + AssayFileSystemDataReader.worker.postMessage(peptidesString); + }); - AssayFileSystemDataReader.worker.addEventListener("message", eventListener); + const splitted = await AssayFileSystemDataReader.inProgress; + AssayFileSystemDataReader.inProgress = undefined; - AssayFileSystemDataReader.worker.postMessage(peptidesString); - }); + mpAssay.setPeptides(splitted); - const splitted = await AssayFileSystemDataReader.inProgress; - AssayFileSystemDataReader.inProgress = undefined; + // Then, try to read in the metadata associated with this assay. + const assayRow = await this.dbManager.performQuery( + (db: Database) => db.prepare("SELECT * FROM assays WHERE assays.id = ?").get(mpAssay.getId()) + ); - mpAssay.setPeptides(splitted); - } catch (err) { - // The file does not exist (yet), throw an exception - throw new IOException(err); - } + if (assayRow) { + // Also read in the metadata + const metadataMng = new StorageMetadataManager(this.dbManager); + const metadata = await metadataMng.readMetadata(assayRow.id); + const searchConfigMng = new SearchConfigManager(this.dbManager); + + mpAssay.setName(assayRow.name); + mpAssay.setSearchConfiguration(await searchConfigMng.readSearchConfig(assayRow.configuration_id)); + mpAssay.setAnalysisSource( + await AnalysisSourceSerializer.deserializeAnalysisSource( + assayRow.endpoint, + mpAssay, + this.dbManager, + this.projectLocation + ) + ); + + if (metadata) { + mpAssay.setDate(metadata.analysisDate); + } + } else { + // Throw an exception, the assay was not found in the database + throw new IOException("Requested assay was not found in the database!"); + } } } diff --git a/src/logic/filesystem/assay/AssayFileSystemDataWriter.ts b/src/logic/filesystem/assay/AssayFileSystemDataWriter.ts index 93e56155..e12f9a68 100644 --- a/src/logic/filesystem/assay/AssayFileSystemDataWriter.ts +++ b/src/logic/filesystem/assay/AssayFileSystemDataWriter.ts @@ -1,6 +1,11 @@ import FileSystemAssayVisitor from "./FileSystemAssayVisitor"; import { promises as fs } from "fs"; -import { ProteomicsAssay } from "unipept-web-components"; +import { ProteomicsAssay, Study } from "unipept-web-components"; +import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; +import { Database, RunResult } from "better-sqlite3"; +import AnalysisSourceSerializer from "@/logic/filesystem/analysis/AnalysisSourceSerializer"; +import { AssayTableRow } from "@/logic/filesystem/database/Schema"; +import SearchConfigManager from "@/logic/filesystem/configuration/SearchConfigManager"; /** * Visitor that writes the raw data associated with an assay to disk. This raw data can become rather large, which is @@ -9,12 +14,57 @@ import { ProteomicsAssay } from "unipept-web-components"; * @see AssayFileSystemMetaDataWriter */ export default class AssayFileSystemDataWriter extends FileSystemAssayVisitor { + constructor( + directoryPath: string, + dbManager: DatabaseManager, + private readonly study: Study + ) { + super(directoryPath, dbManager); + } + public async visitProteomicsAssay(mpAssay: ProteomicsAssay): Promise { + console.log("Visit from writer..."); + + // Write search configuration to database + const config = mpAssay.getSearchConfiguration(); + + const searchConfigMng = new SearchConfigManager(this.dbManager); + await searchConfigMng.writeSearchConfig(config); + + // Get previous assay metadata results (if they exist) + const oldAssayRow = await this.dbManager.performQuery( + (db: Database) => db.prepare("SELECT * FROM assays WHERE id = ?").get(mpAssay.getId()) + ); + + if (oldAssayRow) { + // Remove old peptides file + try { + fs.unlink(`${this.directoryPath}${oldAssayRow.name}.pep`) + } catch (e) { + // Ignore error, since this simply means that the file was already deleted. + } + } + + // Write peptides to a file await fs.writeFile( `${this.directoryPath}${mpAssay.getName()}.pep`, mpAssay.getPeptides().join("\n") + "\n", { encoding: "utf-8" - }); + } + ); + + // Write assay metadata to the database + await this.dbManager.performQuery((db: Database) => { + db.prepare( + "REPLACE INTO assays (id, name, study_id, configuration_id, endpoint) VALUES (?, ?, ?, ?, ?)" + ).run( + mpAssay.getId(), + mpAssay.getName(), + this.study.getId(), + config.id, + AnalysisSourceSerializer.serializeAnalysisSource(mpAssay.getAnalysisSource()) + ); + }); } } diff --git a/src/logic/filesystem/assay/AssayFileSystemDestroyer.ts b/src/logic/filesystem/assay/AssayFileSystemDestroyer.ts index e5cfa7e7..6f6030f7 100644 --- a/src/logic/filesystem/assay/AssayFileSystemDestroyer.ts +++ b/src/logic/filesystem/assay/AssayFileSystemDestroyer.ts @@ -4,12 +4,13 @@ import { ProteomicsAssay, IOException, QueueManager } from "unipept-web-componen import SearchConfigFileSystemDestroyer from "@/logic/filesystem/configuration/SearchConfigFileSystemDestroyer"; import { Database } from "better-sqlite3"; import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; +import CachedResultsManager from "@/logic/filesystem/assay/processed/CachedResultsManager"; +import path from "path"; /** * Removes both the metadata and raw data for an assay. */ export default class AssayFileSystemDestroyer extends FileSystemAssayVisitor { - constructor( directoryPath: string, dbManager: DatabaseManager, @@ -22,27 +23,29 @@ export default class AssayFileSystemDestroyer extends FileSystemAssayVisitor { * @throws {IOException} */ public async visitProteomicsAssay(assay: ProteomicsAssay): Promise { + const assayPath: string = `${this.directoryPath}${assay.getName()}.pep`; + try { - const path: string = `${this.directoryPath}${assay.getName()}.pep`; - - try { - await fs.unlink(path); - } catch (err) { - // File does no longer exist, which is not an issue here. - } - - const assayId = assay.getId(); - - await this.dbManager.performQuery((db: Database) => { - db.prepare("DELETE FROM peptide_trust WHERE `assay_id` = ?").run(assayId); - db.prepare("DELETE FROM storage_metadata WHERE `assay_id` = ?").run(assayId); - db.prepare("DELETE FROM assays WHERE `id` = ?").run(assayId); - }); - - const configDestroyer = new SearchConfigFileSystemDestroyer(this.dbManager); - configDestroyer.visitSearchConfiguration(assay.getSearchConfiguration()); - } catch (e) { - throw new IOException(e); + await fs.unlink(assayPath); + } catch (err) { + // File does no longer exist, which is not an issue here. } + + const assayId = assay.getId(); + + await this.dbManager.performQuery((db: Database) => { + db.prepare("DELETE FROM peptide_trust WHERE `assay_id` = ?").run(assayId); + db.prepare("DELETE FROM storage_metadata WHERE `assay_id` = ?").run(assayId); + db.prepare("DELETE FROM assays WHERE `id` = ?").run(assayId); + db.prepare("DELETE FROM search_configuration WHERE `id` = ?").run(assay.getSearchConfiguration().id) + }); + + // Also delete cached results that might have possibly been created for this assay + const cachedResultsMng = new CachedResultsManager( + this.dbManager, + path.dirname(this.directoryPath) + ); + + await cachedResultsMng.deleteProcessingResults(assay); } } diff --git a/src/logic/filesystem/assay/AssayFileSystemMetaDataReader.ts b/src/logic/filesystem/assay/AssayFileSystemMetaDataReader.ts deleted file mode 100644 index 84b6cb34..00000000 --- a/src/logic/filesystem/assay/AssayFileSystemMetaDataReader.ts +++ /dev/null @@ -1,61 +0,0 @@ -import { Database, Statement } from "better-sqlite3"; -import FileSystemAssayVisitor from "@/logic/filesystem/assay/FileSystemAssayVisitor"; -import { ProteomicsAssay, SearchConfiguration, Study } from "unipept-web-components"; -import SearchConfigFileSystemReader from "@/logic/filesystem/configuration/SearchConfigFileSystemReader"; -import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; - -export default class AssayFileSystemMetaDataReader extends FileSystemAssayVisitor { - constructor( - directoryPath: string, - dbManager: DatabaseManager, - private readonly study?: Study - ) { - super(directoryPath, dbManager); - } - - public async visitProteomicsAssay(mpAssay: ProteomicsAssay): Promise { - let row = await this.dbManager.performQuery( - (db: Database) => db.prepare("SELECT * FROM assays WHERE assays.id = ?").get(mpAssay.getId()) - ); - - if (!row && this.study) { - // Try to find information about this assay by name and study id. - row = await this.dbManager.performQuery((db: Database) => { - return db.prepare("SELECT * FROM assays WHERE name = ? AND study_id = ?").get( - mpAssay.getName(), - this.study.getId() - ); - }) - } - - if (row) { - mpAssay.id = row.id; - - const metadataRow = await this.dbManager.performQuery((db: Database) => { - return db.prepare( - "SELECT * FROM storage_metadata WHERE assay_id = ?" - ).get(mpAssay.getId()); - }) - - let config: SearchConfiguration; - - if (metadataRow) { - mpAssay.setEndpoint(metadataRow.endpoint); - mpAssay.setDatabaseVersion(metadataRow.db_version); - mpAssay.setDate(new Date(metadataRow.analysis_date)); - config = new SearchConfiguration( - true, - true, - false, - metadataRow.configuration_id - ); - const configReader = new SearchConfigFileSystemReader(this.dbManager); - configReader.visitSearchConfiguration(config); - } else { - config = new SearchConfiguration(); - } - - mpAssay.setSearchConfiguration(config); - } - } -} diff --git a/src/logic/filesystem/assay/AssayFileSystemMetaDataWriter.ts b/src/logic/filesystem/assay/AssayFileSystemMetaDataWriter.ts deleted file mode 100644 index a8717c70..00000000 --- a/src/logic/filesystem/assay/AssayFileSystemMetaDataWriter.ts +++ /dev/null @@ -1,49 +0,0 @@ -import FileSystemAssayVisitor from "@/logic/filesystem/assay/FileSystemAssayVisitor"; -import { Database, RunResult } from "better-sqlite3"; -import { Study, ProteomicsAssay, SearchConfiguration } from "unipept-web-components"; -import SearchConfigFileSystemWriter from "@/logic/filesystem/configuration/SearchConfigFileSystemWriter"; -import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; - -export class AssayFileSystemMetaDataWriter extends FileSystemAssayVisitor { - protected readonly study: Study; - - public constructor(directoryPath: string, dbManager: DatabaseManager, study: Study) { - super(directoryPath, dbManager); - this.study = study - } - - public async visitProteomicsAssay(mpAssay: ProteomicsAssay): Promise { - await this.saveAssayMetaData(mpAssay); - } - - private async saveAssayMetaData(mpAssay: ProteomicsAssay): Promise { - let searchConfig = mpAssay.getSearchConfiguration(); - if (!searchConfig) { - searchConfig = new SearchConfiguration(); - mpAssay.setSearchConfiguration(searchConfig); - } - - const searchConfigWriter = new SearchConfigFileSystemWriter(this.dbManager); - searchConfigWriter.visitSearchConfiguration(searchConfig); - - await this.dbManager.performQuery((db: Database) => { - db.prepare( - "REPLACE INTO assays (id, name, study_id) VALUES (?, ?, ?)" - ).run( - mpAssay.getId(), - mpAssay.getName(), - this.study.getId() - ); - - db.prepare( - "REPLACE INTO storage_metadata (assay_id, configuration_id, endpoint, db_version, analysis_date) VALUES (?, ?, ?, ?, ?)" - ).run( - mpAssay.getId(), - searchConfig.id, - mpAssay.getEndpoint(), - mpAssay.getDatabaseVersion(), - mpAssay.getDate().toJSON() - ) - }); - } -} diff --git a/src/logic/filesystem/assay/FileSystemAssayChangeListener.ts b/src/logic/filesystem/assay/FileSystemAssayChangeListener.ts deleted file mode 100644 index d3b8bd9f..00000000 --- a/src/logic/filesystem/assay/FileSystemAssayChangeListener.ts +++ /dev/null @@ -1,73 +0,0 @@ -import { store } from "./../../../main"; -import mkdirp from "mkdirp"; -import * as fs from "fs"; -import AssayFileSystemDataWriter from "@/logic/filesystem/assay/AssayFileSystemDataWriter"; -import FileSystemAssayVisitor from "@/logic/filesystem/assay/FileSystemAssayVisitor"; -import { AssayFileSystemMetaDataWriter } from "@/logic/filesystem/assay/AssayFileSystemMetaDataWriter"; -import { ChangeListener, ProteomicsAssay, Study } from "unipept-web-components"; - -export default class FileSystemAssayChangeListener implements ChangeListener { - constructor( - private readonly study: Study - ) { - this.study = study; - } - - public async onChange(object: ProteomicsAssay, field: string, oldValue: any, newValue: any): Promise { - if (["date", "searchConfiguration", "endpoint", "databaseVersion"].indexOf(field) !== -1) { - // Only update metadata in this case - await this.serializeMetaData(object); - } else if (field == "name") { - // Rename the assay file - await this.renameAssay(object, oldValue, newValue); - } else if (field == "peptides") { - // Only update the data field in this case - await this.serializeData(object); - } - } - - private async renameAssay(assay: ProteomicsAssay, oldName: string, newName: string): Promise { - const mdWriter: FileSystemAssayVisitor = new AssayFileSystemMetaDataWriter( - this.getAssayDirectory(), - store.getters.dbManager, - this.study - ); - - await mkdirp(`${this.getAssayDirectory()}`); - - // Rename metadata file - fs.renameSync( - `${this.getAssayDirectory()}${oldName}.pep`, - `${this.getAssayDirectory()}${newName}.pep` - ); - - // Also update database values - await assay.accept(mdWriter); - } - - private async serializeMetaData(assay: ProteomicsAssay): Promise { - const writer: FileSystemAssayVisitor = new AssayFileSystemMetaDataWriter( - this.getAssayDirectory(), - store.getters.dbManager, - this.study - ); - - await assay.accept(writer); - } - - private async serializeData(assay: ProteomicsAssay): Promise { - const writer: FileSystemAssayVisitor = new AssayFileSystemDataWriter( - this.getAssayDirectory(), - store.getters.dbManager - ); - - await assay.accept(writer); - - // noinspection ES6MissingAwait - store.dispatch("processAssay", [assay, false, assay.getSearchConfiguration()]); - } - - private getAssayDirectory(): string { - return `${store.getters.projectLocation}${this.study.getName()}/`; - } -} diff --git a/src/logic/filesystem/assay/FileSystemAssayVisitor.ts b/src/logic/filesystem/assay/FileSystemAssayVisitor.ts index 7ea3a44f..fe2948cf 100644 --- a/src/logic/filesystem/assay/FileSystemAssayVisitor.ts +++ b/src/logic/filesystem/assay/FileSystemAssayVisitor.ts @@ -7,18 +7,17 @@ import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; * local filesystem. By referencing a */ export default abstract class FileSystemAssayVisitor implements AssayVisitor { - protected directoryPath: string; - protected readonly dbManager: DatabaseManager; - /** * @param directoryPath path to the parent directory of this assay. * @param dbManager The database-object that keeps track of metadata for the assays. */ - constructor(directoryPath: string, dbManager: DatabaseManager) { - if (!directoryPath.endsWith("/")) { - directoryPath += "/"; + protected constructor( + protected directoryPath: string, + protected readonly dbManager: DatabaseManager + ) { + if (!this.directoryPath.endsWith("/")) { + this.directoryPath += "/"; } - this.directoryPath = directoryPath; this.dbManager = dbManager; } diff --git a/src/logic/filesystem/assay/processed/CachedAssayData.ts b/src/logic/filesystem/assay/processed/CachedAssayData.ts new file mode 100644 index 00000000..497b7736 --- /dev/null +++ b/src/logic/filesystem/assay/processed/CachedAssayData.ts @@ -0,0 +1,12 @@ +import { PeptideData, SearchConfiguration, PeptideTrust, Peptide } from "unipept-web-components"; +import { ShareableMap } from "shared-memory-datastructures"; + +/** + * The deserialized result of what belongs to an assay and was stored in the database for this particular assay. + */ +export default class CachedAssayData { + constructor( + public readonly pept2DataMap: ShareableMap, + public readonly peptideTrust: PeptideTrust + ) {} +} diff --git a/src/logic/filesystem/assay/processed/CachedResultsManager.ts b/src/logic/filesystem/assay/processed/CachedResultsManager.ts new file mode 100644 index 00000000..02bbf937 --- /dev/null +++ b/src/logic/filesystem/assay/processed/CachedResultsManager.ts @@ -0,0 +1,270 @@ +import { + ProteomicsAssay, + SearchConfiguration, + PeptideTrust, + PeptideData, + PeptideDataSerializer, + Assay, + AnalysisSource, + Peptide +} from "unipept-web-components"; + +import CachedAssayData from "@/logic/filesystem/assay/processed/CachedAssayData"; +import { Database } from "better-sqlite3"; +import { ShareableMap } from "shared-memory-datastructures"; +import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; + +import { promises as fs } from "fs"; +import path from "path"; +import mkdirp from "mkdirp"; +import crypto from "crypto"; +import AnalysisSourceSerializer from "@/logic/filesystem/analysis/AnalysisSourceSerializer"; +import SearchConfigManager from "@/logic/filesystem/configuration/SearchConfigManager"; +import StorageMetadataManager from "@/logic/filesystem/metadata/StorageMetadataManager"; +import StorageMetadata from "@/logic/filesystem/metadata/StorageMetadata"; +import PeptideTrustManager from "@/logic/filesystem/trust/PeptideTrustManager"; + +export default class CachedResultsManager { + constructor( + private readonly dbManager: DatabaseManager, + private readonly projectLocation: string + ) {} + + /** + * Checks, for the given assay, if analysis results are available and valid in the cache. The cache results are + * valid if the search configuration for the stored results is the same as the configuration of the provided assay + * and if the cache_valid_bit has been set to 1 (which means that the storage of the results correctly finished + * last time). + * + * @param assay The assay for which should be checked if the results are available and valid in this project's + * cache. + */ + public async verifyCacheIntegrity(assay: ProteomicsAssay): Promise { + const row = await this.dbManager.performQuery((db: Database) => { + return db.prepare("SELECT * FROM storage_metadata WHERE assay_id = ?").get(assay.getId()); + }); + + // First, check if metadata for this assay is present in the database. + if (!row) { + return false; + } + + // Second, check if the current search configuration is identical to the one used for the offline analysis. + const searchConfigManager = new SearchConfigManager(this.dbManager); + const serializedSearchConfig = await searchConfigManager.readSearchConfig(row.configuration_id); + + const assayConfig = assay.getSearchConfiguration(); + if ( + serializedSearchConfig.equateIl !== assayConfig.equateIl || + serializedSearchConfig.filterDuplicates !== assayConfig.filterDuplicates || + serializedSearchConfig.enableMissingCleavageHandling !== assayConfig.enableMissingCleavageHandling + ) { + return false; + } + + // Third, check if the fingerprint of the stored AnalysisSource is the same as the current AnalysisSource. + const fingerprint = row.fingerprint; + if (!(await assay.getAnalysisSource().verifyEquality(fingerprint))) { + return false; + } + + // Fourth, check if the peptide trust is available in the database. + const trustManager = new PeptideTrustManager(this.dbManager); + const peptideTrust = await trustManager.readTrust(assay.getId()); + + if (!peptideTrust) { + return false; + } + + // Finally, check if the integrity hash of the local data files corresponds to the hash that was stored + // alongside in the database. + const computedHash = await this.computeDataHash(assay); + return computedHash === row.data_hash; + } + + /** + * Compute the hash for the local stored analysis results of this assay. The hash is computed over both the data + * and index buffer files (the result is a concatenation of the sha256 of both these files). + * + * @param assay The assay for which we should compute the integrity hash of the + */ + public async computeDataHash(assay: ProteomicsAssay): Promise { + const dataHash = crypto.createHash("sha256"); + + const dataBuffer = await fs.readFile(this.getDataBufferPath(assay)); + dataHash.update(dataBuffer); + + const dataHex = dataHash.digest("hex"); + + const indexHash = crypto.createHash("sha256"); + + const indexBuffer = await fs.readFile(this.getIndexBufferPath(assay)); + indexHash.update(indexBuffer); + + const indexHex = indexHash.digest("hex"); + + return dataHex + indexHex; + } + + /** + * Looks up the given assay in the database with all serialized processing results and returns the deserialized + * results if they are available. If no data is available for the assay, null will be returned. + * + * @param assay The assay for which the deserialized results should be returned. + */ + public async readProcessingResults(assay: ProteomicsAssay): Promise { + if (!(await this.verifyCacheIntegrity(assay))) { + return null; + } + + const sharedMap = await this.readShareableMap(assay); + + if (!sharedMap) { + return null; + } + + const trustMng = new PeptideTrustManager(this.dbManager); + const trust = await trustMng.readTrust(assay.getId()); + + return new CachedAssayData( + sharedMap, + trust + ); + } + + public async storeProcessingResults( + assay: ProteomicsAssay, + pept2Data: ShareableMap, + trust: PeptideTrust, + searchSettings: SearchConfiguration + ) { + // Delete the metadata that's associated with this assay + await this.dbManager.performQuery((db: Database) => { + db.prepare("DELETE FROM storage_metadata WHERE assay_id = ?").run(assay.getId()) + }); + + // Write both buffers to a binary file. + await this.writeShareableMap(assay, pept2Data); + + // Now write the metadata to the database again. + const existingConfig = searchSettings; + const searchConfiguration = new SearchConfiguration( + existingConfig.equateIl, + existingConfig.filterDuplicates, + existingConfig.enableMissingCleavageHandling + ); + + const searchConfigManager = new SearchConfigManager(this.dbManager); + searchConfigManager.writeSearchConfig(searchConfiguration); + + const trustMng = new PeptideTrustManager(this.dbManager); + await trustMng.writeTrust(assay.getId(), trust); + + const storageMetaManager = new StorageMetadataManager(this.dbManager); + await storageMetaManager.writeMetadata(new StorageMetadata( + assay.getId(), + searchConfiguration, + AnalysisSourceSerializer.serializeAnalysisSource(assay.getAnalysisSource()), + await assay.getAnalysisSource().computeFingerprint(), + await this.computeDataHash(assay), + assay.getDate() + )); + } + + /** + * Remove the processing results that might have been stored for a specific assay from the project folder. + * + * @param assay The assay for which previously created processing results should be deleted. + */ + public async deleteProcessingResults(assay: ProteomicsAssay): Promise { + const idxBufferPath = this.getIndexBufferPath(assay); + const dataBufferPath = this.getDataBufferPath(assay); + + try { + await fs.unlink(idxBufferPath); + await fs.unlink(dataBufferPath); + } catch (err) { + // This means that the files we are trying to delete do no longer exist and should thus not be an issue. + } + } + + private arrayBufferToBuffer(buffer: ArrayBuffer): Buffer { + return Buffer.from(buffer); + } + + private bufferToSharedArrayBuffer(buf: Buffer): SharedArrayBuffer { + const ab = new SharedArrayBuffer(buf.length); + const view = new Uint8Array(ab); + for (let i = 0; i < buf.length; ++i) { + view[i] = buf[i]; + } + return ab; + } + + /** + * Write the given assay and the corresponding data to the filesystem. + * + * @param assay + * @param pept2Data + * @private + */ + private async writeShareableMap(assay: ProteomicsAssay, pept2Data: ShareableMap) { + // Write both buffers to a binary file. + const buffers: ArrayBuffer[] = pept2Data.getBuffers(); + + const bufferDirectory = this.getBufferDirectory(); + await mkdirp(bufferDirectory); + + const indexBufferPath = this.getIndexBufferPath(assay); + const dataBufferPath = this.getDataBufferPath(assay); + + try { + // Remove previous versions of this file's persistent storage. + await fs.unlink(indexBufferPath); + await fs.unlink(dataBufferPath); + } catch (error) { + // Ignore (this throws an error if these files do not exist, which is not an issue here) + } + + // Write new version of this file's buffer to file + await fs.writeFile(indexBufferPath, Buffer.from(buffers[0])); + await fs.writeFile(dataBufferPath, Buffer.from(buffers[1])); + } + + private async readShareableMap(assay: ProteomicsAssay): Promise | null> { + const bufferDirectory = this.getBufferDirectory() + await mkdirp(bufferDirectory); + + const indexBufferPath = this.getIndexBufferPath(assay); + const dataBufferPath = this.getDataBufferPath(assay); + + try { + const indexBuffer = this.bufferToSharedArrayBuffer(await fs.readFile(indexBufferPath)); + const dataBuffer = this.bufferToSharedArrayBuffer(await fs.readFile(dataBufferPath)); + + const output = new ShareableMap(0, 0, new PeptideDataSerializer()); + output.setBuffers(indexBuffer, dataBuffer); + + return output; + } catch (error) { + console.error(error); + + // File's do not exist! + return null; + } + } + + private getBufferDirectory(): string { + return path.join(this.projectLocation, ".buffers"); + } + + private getDataBufferPath(assay: ProteomicsAssay): string { + const bufferDirectory = this.getBufferDirectory(); + return path.join(bufferDirectory, assay.getId() + ".data"); + } + + private getIndexBufferPath(assay: ProteomicsAssay): string { + const bufferDirectory = this.getBufferDirectory(); + return path.join(bufferDirectory, assay.getId() + ".index"); + } +} diff --git a/src/logic/filesystem/assay/processed/ProcessedAssayManager.ts b/src/logic/filesystem/assay/processed/ProcessedAssayManager.ts deleted file mode 100644 index 43f18d2a..00000000 --- a/src/logic/filesystem/assay/processed/ProcessedAssayManager.ts +++ /dev/null @@ -1,215 +0,0 @@ -import { - ProteomicsAssay, - SearchConfiguration, - PeptideTrust, - PeptideData, - PeptideDataSerializer, Assay -} from "unipept-web-components"; - -import ProcessedAssayResult from "@/logic/filesystem/assay/processed/ProcessedAssayResult"; -import { Database } from "better-sqlite3"; -import SearchConfigFileSystemReader from "@/logic/filesystem/configuration/SearchConfigFileSystemReader"; -import { ShareableMap } from "shared-memory-datastructures"; -import SearchConfigFileSystemWriter from "@/logic/filesystem/configuration/SearchConfigFileSystemWriter"; -import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; - -import { promises as fs } from "fs"; -import path from "path"; -import mkdirp from "mkdirp"; -import { store } from "./../../../../main"; - -export default class ProcessedAssayManager { - constructor( - private readonly dbManager: DatabaseManager, - ) {} - - /** - * Looks up the given assay in the database with all serialized processing results and returns the deserialized - * results if they are available. If no data is available for the assay, null will be returned. - * - * @param assay The assay for which the deserialized results should be returned. - */ - public async readProcessingResults(assay: ProteomicsAssay): Promise { - // Look up whether storage metadata with the given properties is present in the database. - const row = await this.dbManager.performQuery((db: Database) => { - return db.prepare("SELECT * FROM storage_metadata WHERE assay_id = ?").get(assay.getId()); - }); - - if (!row) { - return null; - } - - const serializedSearchConfig = new SearchConfiguration( - true, - true, - false, - row.configuration_id - ); - const searchConfigReader = new SearchConfigFileSystemReader(this.dbManager); - await serializedSearchConfig.accept(searchConfigReader); - - // Now check whether the search config is the same as the one that's currently assigned to this assay. - const assayConfig = assay.getSearchConfiguration(); - if ( - serializedSearchConfig.equateIl !== assayConfig.equateIl || - serializedSearchConfig.filterDuplicates !== assayConfig.filterDuplicates || - serializedSearchConfig.enableMissingCleavageHandling !== assayConfig.enableMissingCleavageHandling - ) { - return null; - } - - const sharedMap = await this.readShareableMap(assay); - - if (!sharedMap) { - return null; - } - - const trustRow = await this.dbManager.performQuery((db: Database) => { - return db.prepare("SELECT * FROM peptide_trust WHERE `assay_id` = ?").get(assay.getId()); - }) - - if (!trustRow) { - return null; - } - - const trust = new PeptideTrust( - JSON.parse(trustRow.missed_peptides), - trustRow.matched_peptides, - trustRow.searched_peptides - ); - - - return new ProcessedAssayResult( - assay.getEndpoint(), - assay.getDatabaseVersion(), - serializedSearchConfig, - // @ts-ignore - sharedMap, - trust - ); - } - - public async storeProcessingResults( - assay: ProteomicsAssay, - pept2Data: ShareableMap, - trust: PeptideTrust, - searchSettings: SearchConfiguration - ) { - // Delete the metadata that's associated with this assay - await this.dbManager.performQuery((db: Database) => { - db.prepare("DELETE FROM storage_metadata WHERE assay_id = ?").run(assay.getId()) - }); - - // Write both buffers to a binary file. - await this.writeShareableMap(assay, pept2Data); - - await this.dbManager.performQuery((db: Database) => { - // First delete all existing rows for this assay; - db.prepare("DELETE FROM peptide_trust WHERE `assay_id` = ?").run(assay.getId()); - - const insertTrust = db.prepare("INSERT INTO peptide_trust VALUES (?, ?, ?, ?)"); - insertTrust.run( - assay.getId(), - JSON.stringify(trust.missedPeptides), - trust.matchedPeptides, - trust.searchedPeptides - ); - }); - - // Now write the metadata to the database again. - const existingConfig = searchSettings; - const searchConfiguration = new SearchConfiguration( - existingConfig.equateIl, - existingConfig.filterDuplicates, - existingConfig.enableMissingCleavageHandling - ); - - const searchConfigWriter = new SearchConfigFileSystemWriter(this.dbManager); - searchConfigWriter.visitSearchConfiguration(searchConfiguration); - - await this.dbManager.performQuery((db: Database) => { - db.prepare("INSERT INTO storage_metadata VALUES (?, ?, ?, ?, ?)").run( - assay.getId(), - searchConfiguration.id, - assay.getEndpoint(), - assay.getDatabaseVersion(), - assay.getDate().toJSON() - ); - }); - } - - private arrayBufferToBuffer(buffer: ArrayBuffer): Buffer { - return Buffer.from(buffer); - } - - private bufferToSharedArrayBuffer(buf: Buffer): SharedArrayBuffer { - const ab = new SharedArrayBuffer(buf.length); - const view = new Uint8Array(ab); - for (let i = 0; i < buf.length; ++i) { - view[i] = buf[i]; - } - return ab; - } - - /** - * Write the given assay and the corresponding data to the filesystem. - * - * @param assay - * @param pept2Data - * @private - */ - private async writeShareableMap(assay: ProteomicsAssay, pept2Data: ShareableMap) { - // Filter dataset for peptides that only occur in this assay. - const filteredDataset = new ShareableMap(undefined, undefined, new PeptideDataSerializer()); - for (const peptide of assay.getPeptides()) { - const result = pept2Data.get(peptide); - if (result) { - filteredDataset.set(peptide, result); - } - } - - // Write both buffers to a binary file. - const buffers: ArrayBuffer[] = filteredDataset.getBuffers(); - - const bufferDirectory = path.join(store.getters.projectLocation, ".buffers"); - await mkdirp(bufferDirectory); - - const indexBufferPath = path.join(bufferDirectory, assay.getId() + ".index"); - const dataBufferPath = path.join(bufferDirectory, assay.getId() + ".data"); - - try { - // Remove previous versions of this file's persistent storage. - await fs.unlink(indexBufferPath); - await fs.unlink(dataBufferPath); - } catch (error) { - // Ignore (this throws an error if these files do not exist, which is not an issue here) - } - - // Write new version of this file's buffer to file - await fs.writeFile(indexBufferPath, Buffer.from(buffers[0])); - await fs.writeFile(dataBufferPath, Buffer.from(buffers[1])); - } - - private async readShareableMap(assay: ProteomicsAssay): Promise | null> { - const bufferDirectory = path.join(store.getters.projectLocation, ".buffers"); - await mkdirp(bufferDirectory); - - const indexBufferPath = path.join(bufferDirectory, assay.getId() + ".index"); - const dataBufferPath = path.join(bufferDirectory, assay.getId() + ".data"); - - try { - const indexBuffer = this.bufferToSharedArrayBuffer(await fs.readFile(indexBufferPath)); - const dataBuffer = this.bufferToSharedArrayBuffer(await fs.readFile(dataBufferPath)); - - const output = new ShareableMap(0, 0, new PeptideDataSerializer()); - output.setBuffers(indexBuffer, dataBuffer); - - return output; - } catch (error) { - console.error(error); - - // File's do not exist! - return null; - } - } -} diff --git a/src/logic/filesystem/assay/processed/ProcessedAssayResult.ts b/src/logic/filesystem/assay/processed/ProcessedAssayResult.ts deleted file mode 100644 index 8baf47ee..00000000 --- a/src/logic/filesystem/assay/processed/ProcessedAssayResult.ts +++ /dev/null @@ -1,15 +0,0 @@ -import { PeptideData, SearchConfiguration, PeptideTrust } from "unipept-web-components"; -import { ShareableMap } from "shared-memory-datastructures"; - -/** - * The deserialized result of what belongs to an assay and was stored in the database for this particular assay. - */ -export default class ProcessedAssayResult { - constructor( - public readonly endpoint: string, - public readonly databaseVersion: string, - public readonly searchConfiguration: SearchConfiguration, - public readonly pept2DataMap: ShareableMap, - public readonly peptideTrust: PeptideTrust - ) {} -} diff --git a/src/logic/filesystem/configuration/SearchConfigManager.ts b/src/logic/filesystem/configuration/SearchConfigManager.ts new file mode 100644 index 00000000..b2ca4b0f --- /dev/null +++ b/src/logic/filesystem/configuration/SearchConfigManager.ts @@ -0,0 +1,66 @@ +import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; +import { SearchConfigurationTableRow } from "@/logic/filesystem/database/Schema"; +import { Database } from "better-sqlite3"; +import { SearchConfiguration } from "unipept-web-components"; + +export default class SearchConfigManager { + constructor( + private readonly dbManager: DatabaseManager + ) {} + + public async readSearchConfig(id: number): Promise { + const searchRow = await this.dbManager.performQuery((db: Database) => { + return db.prepare("SELECT * FROM search_configuration WHERE id = ?").get(id); + }); + + if (searchRow) { + return new SearchConfiguration( + searchRow.equate_il === 1, + searchRow.filter_duplicates === 1, + searchRow.missing_cleavage_handling === 1, + searchRow.id.toString() + ); + } else { + return undefined; + } + } + + /** + * Write the given object to the database. Note that the search configuration will be added as a new record in the + * database if the given id of the config does not exist, or if no id has been set. A new id will be set for this + * config in that case. If the id that's associated with the given search configuration is already present in the + * database, the old search configuration will be updated with the values from the object given here. + * + * @param config The search configuration that should be updated or written to the database. + */ + public async writeSearchConfig(config: SearchConfiguration): Promise { + await this.dbManager.performQuery((db: Database) => { + const info = db.prepare( + ` + REPLACE INTO search_configuration (equate_il, filter_duplicates, missing_cleavage_handling) + VALUES (?, ?, ?) + ` + ).run( + config.equateIl ? 1 : 0, + config.filterDuplicates ? 1 : 0, + config.enableMissingCleavageHandling ? 1 : 0, + ); + + config.id = info.lastInsertRowid.toString(); + }); + } + + /** + * Remove the search configuration entry from the database with the given id. + * + * @param id The id of the search configuration that should be deleted from the database. If this id is not present + * in the database, nothing will happen. + * @return true if a value has been deleted, false otherwise. + */ + public async destroySearchConfig(id: number): Promise { + return this.dbManager.performQuery((db: Database) => { + const result = db.prepare("DELETE FROM search_configuration WHERE id = ?").run(id); + return result.changes !== 0; + }); + } +} diff --git a/src/logic/filesystem/database/DatabaseManager.ts b/src/logic/filesystem/database/DatabaseManager.ts index 1afc7f71..46bb84f1 100644 --- a/src/logic/filesystem/database/DatabaseManager.ts +++ b/src/logic/filesystem/database/DatabaseManager.ts @@ -9,10 +9,11 @@ const electron = require("electron"); const app = electron.remote.app; import path from "path"; +import DatabaseMigratorV2ToV3 from "@/logic/filesystem/database/DatabaseMigratorV2ToV3"; export default class DatabaseManager { // Reading and writing large assays to and from the database can easily take longer than 5 seconds, causing - // a "SQLBusyException" to b§e thrown. By increasing the timeout to a value, larger than the time it should take + // a "SQLBusyException" to be thrown. By increasing the timeout to a value larger than the time it should take // to execute these transactions, these errors can be avoided. public static readonly DB_TIMEOUT: number = 15000; @@ -27,7 +28,8 @@ export default class DatabaseManager { // Maps each schema index onto the db-migrator that can be used to update the db to the next schema version. private readonly migrations: (() => DatabaseMigrator)[] = [ () => new DatabaseMigratorV0ToV1(), - () => new DatabaseMigratorV1ToV2(path.dirname(this.dbLocation)) + () => new DatabaseMigratorV1ToV2(path.dirname(this.dbLocation)), + () => new DatabaseMigratorV2ToV3(path.dirname(this.dbLocation)) ]; constructor( @@ -86,6 +88,7 @@ export default class DatabaseManager { */ private checkAndUpgradeSchema(): void { for (let currentSchema: number = this.schemaVersion; currentSchema < Schema.LATEST_VERSION; currentSchema++) { + console.log(currentSchema); this.migrations[currentSchema]().upgrade(this.db); this.db.pragma("user_version = " + (currentSchema + 1)); } diff --git a/src/logic/filesystem/database/DatabaseMigratorV2ToV3.ts b/src/logic/filesystem/database/DatabaseMigratorV2ToV3.ts new file mode 100644 index 00000000..71e2e6c3 --- /dev/null +++ b/src/logic/filesystem/database/DatabaseMigratorV2ToV3.ts @@ -0,0 +1,120 @@ +import DatabaseMigrator from "@/logic/filesystem/database/DatabaseMigrator"; +import Database from "better-sqlite3"; +import v2_to_v3 from "raw-loader!@/db/migrations/v2_to_v3.sql"; +import crypto from "crypto"; +import path from "path"; +import fs from "fs"; + +export default class DatabaseMigratorV2ToV3 implements DatabaseMigrator { + constructor(private readonly projectLocation: string) {} + + public upgrade(database: Database.Database): void { + // Read in all data and metadata for all assays. + const assayData = database.prepare( + "SELECT * FROM assays INNER JOIN storage_metadata ON assays.id = storage_metadata.assay_id" + ).all(); + + // Store all of this information temporarily in-memory + const assays: any[] = []; + for (const row of assayData) { + // We keep track of all the information that's associated with a single assay + const searchConfig = database.prepare( + "SELECT * FROM search_configuration WHERE id = ?" + ).get(row.configuration_id); + + const peptideTrust = database.prepare( + "SELECT * FROM peptide_trust WHERE assay_id = ?" + ).get(row.assay_id); + + assays.push({ + assayId: row.id, + assayName: row.name, + studyId: row.study_id, + equateIl: searchConfig.equate_il, + filterDuplicates: searchConfig.filter_duplicates, + missedCleavages: searchConfig.missing_cleavage_handling, + missedPeptides: peptideTrust.missed_peptides, + matchedPeptides: peptideTrust.matched_peptides, + searchedPeptides: peptideTrust.searched_peptides, + endpoint: row.endpoint, + date: row.analysis_date, + dbVersion: row.db_version + }); + } + + console.log(JSON.stringify(assays)); + + const studyData = database.prepare( + "SELECT * FROM studies" + ).all(); + + const studies: any[] = []; + for (const row of studyData) { + studies.push({ + id: row.id, + name: row.name + }) + } + + // Now, drop the table and create a new one with a different column name + database.exec(v2_to_v3); + + // Write all of the studies to the database + for (const studyRow of studies) { + database.prepare(` + INSERT INTO studies (id, name) + VALUES (?, ?) + `).run(studyRow.id, studyRow.name) + } + + // Write all of the information that was temporarily kept in-memory back to the database + for (const row of assays) { + // First insert the search configuration + const searchConfigId = database.prepare(` + INSERT INTO search_configuration (equate_il, filter_duplicates, missing_cleavage_handling) + VALUES (?, ?, ?) + `).run(row.equateIl, row.filterDuplicates, row.missedCleavages).lastInsertRowid; + + // Then insert assay + database.prepare(` + INSERT INTO assays (id, name, study_id, configuration_id, endpoint) + VALUES (?, ?, ?, ?, ?) + `).run(row.assayId, row.assayName, row.studyId, searchConfigId, row.endpoint); + + database.prepare(` + INSERT INTO peptide_trust + VALUES (?, ?, ?, ?) + `).run(row.assayId, row.missedPeptides, row.matchedPeptides, row.searchedPeptides); + + // Data should be recomputed for this upgrade, which is why the fingerprint is set to an empty string here. + const fingerPrint: string = ""; + const dataHash: string = this.computeDataHash(row.assayId); + + database.prepare(` + INSERT INTO storage_metadata + VALUES (?, ?, ?, ?, ?, ?) + `).run(row.assayId, searchConfigId, row.endpoint, fingerPrint, dataHash, row.date); + } + } + + private computeDataHash(assayId: string): string { + const dataHash = crypto.createHash("sha256"); + const bufferPath: string = path.join(this.projectLocation, ".buffers"); + const dataBufferPath = path.join(bufferPath, assayId + ".data"); + const indexBufferPath = path.join(bufferPath, assayId + ".index"); + + const dataBuffer = fs.readFileSync(dataBufferPath); + dataHash.update(dataBuffer); + + const dataHex = dataHash.digest("hex"); + + const indexHash = crypto.createHash("sha256"); + + const indexBuffer = fs.readFileSync(indexBufferPath); + indexHash.update(indexBuffer); + + const indexHex = indexHash.digest("hex"); + + return dataHex + indexHex; + } +} diff --git a/src/logic/filesystem/database/Schema.ts b/src/logic/filesystem/database/Schema.ts index 8f852184..b9c2709b 100644 --- a/src/logic/filesystem/database/Schema.ts +++ b/src/logic/filesystem/database/Schema.ts @@ -1,6 +1,49 @@ -import schema_v2 from "raw-loader!@/db/schemas/schema_v2.sql"; +import schema_v3 from "raw-loader!@/db/schemas/schema_v3.sql"; export default class Schema { - public static LATEST_VERSION: number = 2; - public static LATEST_SCHEMA: string = schema_v2; + public static LATEST_VERSION: number = 3; + public static LATEST_SCHEMA: string = schema_v3; } + +// Type definitions for all the different rows in the database schema. +export type AssayTableRow = { + id: string, + name: string, + study_id: string, + configuration_id: number, + endpoint: string +}; + +export type StudyTableRow = { + id: string, + name: string +}; + +export type SearchConfigurationTableRow = { + id: number, + // boolean coded as an integer. 1 = true, 0 = false + equate_il: number, + filter_duplicates: number, + missing_cleavage_handling: number +}; + +export type PeptideTrustTableRow = { + assay_id: string, + missed_peptides: string, + matched_peptides: number, + searched_peptides: number +}; + +export type StorageMetadataTableRow = { + assay_id: string, + configuration_id: number, + endpoint: string, + fingerprint: string, + data_hash: string, + analysis_date: string +}; + +export type DatabaseMetadataTableRow = { + application_version: string +} + diff --git a/src/logic/filesystem/docker/CustomDatabaseManager.ts b/src/logic/filesystem/docker/CustomDatabaseManager.ts new file mode 100644 index 00000000..40546dce --- /dev/null +++ b/src/logic/filesystem/docker/CustomDatabaseManager.ts @@ -0,0 +1,136 @@ +import CustomDatabase from "@/logic/custom_database/CustomDatabase"; +import { promises as fs } from "fs"; +import path, { dirname } from "path"; +import mkdirp from "mkdirp"; + +/** + * This class is responsible for managing the custom databases that are currently created by some of the users and to + * make sure that all of this information is persisted on the filesystem. A specific config directory structure will + * be used to track the databases that have been build, that still need to be build and that will be created in the + * future. + * + * There is one root database folder that's managed by this application itself. For every custom database that needs to + * be constructed one new folder will be created that always contains one metadata file (with some information about + * the database itself) and then the database specific data files. The metadata will indicate whether the database + * construction for this file succeeded. + * + * @author Pieter Verschaffelt + */ +export default class CustomDatabaseManager { + /** + * Returns a list of all custom databases known to this application, both complete and incomplete variants. Make + * sure to always check if a database is complete before trying to connect to it. + * + * @param dbRootFolder The root folder in which all custom database information for the complete application is + * kept. This folder should contain one folder per custom database (and a metadata file per custom database folder). + */ + public async listAllDatabases(dbRootFolder: string): Promise { + const databases = []; + for (const dir of (await fs.readdir(path.join(dbRootFolder, "databases")))) { + if ((await fs.lstat(path.join(dbRootFolder, "databases", dir))).isDirectory()) { + // Check if a metadata file is present in the folder that was found. If it is present, we should read + // the database name and other metadata from this file. + try { + const metadata = JSON.parse(await fs.readFile( + path.join(dbRootFolder, "databases", dir, "metadata.json"), + { encoding: "utf-8" } + )); + + databases.push( + new CustomDatabase( + metadata.name, + metadata.sources, + metadata.sourceTypes, + metadata.taxa, + metadata.entries, + metadata.databaseVersion, + metadata.complete + ) + ); + } catch (e) { + // The inspected directory probably doesn't contain a database and we should do nothing in this + // case. + } + } + } + return databases; + } + + /** + * Returns a list of all custom databases that are completely built. + * + * @param dbRootFolder The root folder in which all custom database information for the complete application is + * kept. This folder should contain one folder per custom database (and a metadata file per custom database folder). + */ + public async listAllBuildDatabases(dbRootFolder: string): Promise { + return (await this.listAllDatabases(dbRootFolder)).filter(c => c.complete); + } + + /** + * Returns a list of all databases that are incomplete or missing at least part of their data files. These databases + * should probably be rebuild before trying to use them! + * + * @param dbRootFolder The root folder in which all custom database information for the complete application is + * kept. This folder should contain one folder per custom database (and a metadata file per custom database folder). + */ + public async listAllIncompleteDatabases(dbRootFolder: string): Promise { + return (await this.listAllDatabases(dbRootFolder)).filter(c => !c.complete); + } + + /** + * Overwrite the metadata information that's currently present in the filesystem for a specific database. Metadata + * that was previously stored in this file for this database will be lost and replaced by the metadata provided + * as an argument to this function. + * + * @param dbRootFolder The root folder in which all custom database information for the complete application is + * kept. This folder should contain one folder per custom database (and a metadata file per custom database folder). + * @param db CustomDatabase object for which the metadata should be updated. + */ + public async updateMetadata(dbRootFolder: string, db: CustomDatabase): Promise { + const path = this.metadataPath(dbRootFolder, db); + // Make sure that the path to the database that we want to build actually exists, before trying to write the + // metadata file to it. + await mkdirp(dirname(path)); + return fs.writeFile(path, JSON.stringify(db)); + } + + /** + * Returns the most appropriate URL that can be used to download the specific UniProt database. This function will + * automatically take into account the current location of the user and point the user to the closest FTP mirror. + * Note that location detection of the user is very rudimentary and only provides a rough estimate of the user's + * current point of residence (e.g. Europe, United States, ...). + * + * @param dbVersionId A valid version identifier in the format YYYY.MM (that should point to an existing UniProt + * version) or "current" for the most recent version of the database. + */ + public getUrl( + dbVersionId: string + ): string { + if (dbVersionId.toLowerCase() === "current") { + // The user wants to download the most recent version of the UniProt database and we should check the user's + // current location (e.g. Europe, United States, Africa, ...) to determine what the most appropriate + // mirror is. + const timezone = Intl.DateTimeFormat().resolvedOptions().timeZone; + + // if (timezone && timezone.toLowerCase().includes("europe")) { + // // The user is situated in Europe and we should use Expasy as our default FTP server. + // return + // } else { + // return + // } + } + + return ""; + } + + /** + * Constructs the path to a folder wherein the database's metadata should be stored. + * + * @param dbRootFolder The root folder in which all custom database information for the complete application is + * kept. This folder should contain one folder per custom database (and a metadata file per custom database folder). + * @param db CustomDatabase object for which the path to it's metadata file on the filesystem should be constructed. + */ + private metadataPath(dbRootFolder: string, db: CustomDatabase): string { + return path.join(dbRootFolder, "databases", db.name, "metadata.json"); + } +} diff --git a/src/logic/filesystem/metadata/StorageMetadata.ts b/src/logic/filesystem/metadata/StorageMetadata.ts new file mode 100644 index 00000000..50dc6516 --- /dev/null +++ b/src/logic/filesystem/metadata/StorageMetadata.ts @@ -0,0 +1,12 @@ +import { SearchConfiguration } from "unipept-web-components"; + +export default class StorageMetadata { + constructor( + public readonly assayId: string, + public readonly searchConfiguration: SearchConfiguration, + public readonly endpoint: string, + public readonly fingerprint: string, + public readonly dataHash: string, + public readonly analysisDate: Date + ) {} +} diff --git a/src/logic/filesystem/metadata/StorageMetadataManager.ts b/src/logic/filesystem/metadata/StorageMetadataManager.ts new file mode 100644 index 00000000..68d43b1d --- /dev/null +++ b/src/logic/filesystem/metadata/StorageMetadataManager.ts @@ -0,0 +1,63 @@ +import StorageMetadata from "@/logic/filesystem/metadata/StorageMetadata"; +import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; +import { Database } from "better-sqlite3"; +import { StorageMetadataTableRow } from "@/logic/filesystem/database/Schema"; +import SearchConfigManager from "@/logic/filesystem/configuration/SearchConfigManager"; + +export default class StorageMetadataManager { + constructor( + private readonly dbManager: DatabaseManager + ) {} + + public async readMetadata(assayId: string): Promise { + const metaRow = await this.dbManager.performQuery((db: Database) => { + return db.prepare("SELECT * FROM storage_metadata WHERE assay_id = ?").get(assayId); + }); + + if (metaRow) { + const searchConfigMng = new SearchConfigManager(this.dbManager); + + return new StorageMetadata( + metaRow.assay_id, + await searchConfigMng.readSearchConfig(metaRow.configuration_id), + metaRow.endpoint, + metaRow.fingerprint, + metaRow.data_hash, + new Date(metaRow.analysis_date) + ); + } + + return undefined; + } + + public async writeMetadata(metadata: StorageMetadata): Promise { + await this.dbManager.performQuery((db: Database) => { + return db.prepare( + ` + REPLACE INTO storage_metadata (assay_id, configuration_id, endpoint, fingerprint, data_hash, analysis_date) + VALUES (?, ?, ?, ?, ?, ?) + ` + ).run( + metadata.assayId, + metadata.searchConfiguration.id, + metadata.endpoint, + metadata.fingerprint, + metadata.dataHash, + metadata.analysisDate.toJSON() + ); + }); + } + + /** + * Remove the metadata records from the database that are associated with the given assay id. + * + * @param assayId The assay id for which the associated metadata records should be removed. + * @return true if the records were found and deleted from the database, false otherwise. + */ + public async destroyMetadata(assayId: string): Promise { + return this.dbManager.performQuery((db: Database) => { + const runResult = db.prepare("DELETE FROM storage_metadata WHERE assay_id = ?").run(assayId); + return runResult.changes !== 0; + }) + } +} diff --git a/src/logic/filesystem/project/FileSystemWatcher.ts b/src/logic/filesystem/project/FileSystemWatcher.ts index af717cc3..2b5d69ce 100644 --- a/src/logic/filesystem/project/FileSystemWatcher.ts +++ b/src/logic/filesystem/project/FileSystemWatcher.ts @@ -5,15 +5,12 @@ import { store } from "./../../../main"; import FileSystemAssayVisitor from "@/logic/filesystem/assay/FileSystemAssayVisitor"; import AssayFileSystemDataReader from "@/logic/filesystem/assay/AssayFileSystemDataReader"; import FileSystemStudyVisitor from "@/logic/filesystem/study/FileSystemStudyVisitor"; -import StudyFileSystemMetaDataWriter from "@/logic/filesystem/study/StudyFileSystemMetaDataWriter"; +import StudyFileSystemDataWriter from "@/logic/filesystem/study/StudyFileSystemDataWriter"; import { Study, ProteomicsAssay, Assay } from "unipept-web-components"; import ErrorListener from "../ErrorListener"; -import { AssayFileSystemMetaDataWriter } from "@/logic/filesystem/assay/AssayFileSystemMetaDataWriter"; import AssayFileSystemDestroyer from "@/logic/filesystem/assay/AssayFileSystemDestroyer"; import StudyFileSystemDataReader from "@/logic/filesystem/study/StudyFileSystemDataReader"; -import FileSystemStudyChangeListener from "@/logic/filesystem/study/FileSystemStudyChangeListener"; import StudyFileSystemRemover from "@/logic/filesystem/study/StudyFileSystemRemover"; -import AssayFileSystemMetaDataReader from "@/logic/filesystem/assay/AssayFileSystemMetaDataReader"; /** * The FileSystemWatcher is responsible for the synchronization of a project with the disk. It watches the filesystem @@ -60,206 +57,211 @@ export default class FileSystemWatcher { * @param filePath */ private async fileAdded(filePath: string) { - try { - if (filePath.endsWith(".pep")) { - const studyName: string = path.basename(path.dirname(filePath)); - - // Does the associated study already exist? - const study: Study = store.getters.studies.find((study: Study) => study.getName() === studyName); - - if (!study) { - // possible new assays will be created by "directoryAdded" when creating a new study. - return; - } - - const assayName: string = path.basename(filePath).replace(".pep", ""); - - // Check if an assay with this name already exists. - if (study.getAssays().find(assay => assay.getName() === assayName)) { - // Assay already exists and does not need to be added. - return; - } - - // Add a new MetaProteomicsAssay to it's corresponding study if it does not exist already. - const assay: ProteomicsAssay = new ProteomicsAssay( - uuidv4() - ); - assay.setName(assayName); - - // Read metadata from disk if it exists. - const assayMetaReader = new AssayFileSystemMetaDataReader( - store.getters.projectLocation + studyName, - store.getters.dbManager, - study - ); - await assay.accept(assayMetaReader); - - // Read peptides from disk for this assay - const assayReader: FileSystemAssayVisitor = new AssayFileSystemDataReader( - store.getters.projectLocation + studyName, - store.getters.dbManager - ); - - await assay.accept(assayReader); - - // Write metadata for this assay to disk - const assayWriter = new AssayFileSystemMetaDataWriter( - store.getters.projectPath + studyName, - store.getters.dbManager, - study - ); - - await assay.accept(assayWriter); - // This study should already have a change listener, which takes care of processing the assay as soon as - // it is added to the study. - study.addAssay(assay); - await store.dispatch("addAssay", assay); - store.dispatch("processAssay", [assay, false, assay.getSearchConfiguration()]); - } - } catch (err) { - this.reportError(err); - } + // try { + // if (filePath.endsWith(".pep")) { + // const studyName: string = path.basename(path.dirname(filePath)); + // + // // Does the associated study already exist? + // const study: Study = store.getters.studies.find((study: Study) => study.getName() === studyName); + // + // if (!study) { + // // possible new assays will be created by "directoryAdded" when creating a new study. + // return; + // } + // + // const assayName: string = path.basename(filePath).replace(".pep", ""); + // + // // Check if an assay with this name already exists. + // if (study.getAssays().find(assay => assay.getName() === assayName)) { + // // Assay already exists and does not need to be added. + // return; + // } + // + // // Add a new MetaProteomicsAssay to it's corresponding study if it does not exist already. + // const assay: ProteomicsAssay = new ProteomicsAssay( + // uuidv4() + // ); + // assay.setName(assayName); + // + // // Read metadata from disk if it exists. + // const assayMetaReader = new AssayFileSystemMetaDataReader( + // store.getters.projectLocation + studyName, + // store.getters.dbManager, + // store.getters.projectLocation, + // study + // ); + // await assay.accept(assayMetaReader); + // + // // Read peptides from disk for this assay + // const assayReader: FileSystemAssayVisitor = new AssayFileSystemDataReader( + // store.getters.projectLocation + studyName, + // store.getters.dbManager + // ); + // + // await assay.accept(assayReader); + // + // // Write metadata for this assay to disk + // const assayWriter = new AssayFileSystemMetaDataWriter( + // store.getters.projectPath + studyName, + // store.getters.dbManager, + // study + // ); + // + // await assay.accept(assayWriter); + // // This study should already have a change listener, which takes care of processing the assay as soon as + // // it is added to the study. + // study.addAssay(assay); + // await store.dispatch("addAssay", assay); + // store.dispatch("analyseAssay", assay); + // } + // } catch (err) { + // this.reportError(err); + // } } private async directoryAdded(directoryPath: string) { - try { - if (!directoryPath.endsWith("/")) { - directoryPath += "/"; - } - - const studyName: string = path.basename(directoryPath); - - if (store.getters.studies.find((study: Study) => study.getName() === studyName)) { - // Study exists already, nothing needs to be done. - return; - } - - const study: Study = new Study(uuidv4()); - study.setName(studyName); - - const studyWriter: FileSystemStudyVisitor = new StudyFileSystemMetaDataWriter( - directoryPath, - store.getters.dbManager - ); - await study.accept(studyWriter); - - // This reader directly reads all assays associated with this study from disk. - const studyReader = new StudyFileSystemDataReader(directoryPath, store.getters.dbManager); - await study.accept(studyReader); - - await store.dispatch("addStudy", study); - - // Now we should launch the processing for every assay of this study. - for (const assay of study.getAssays()) { - await store.dispatch("addAssay", assay); - // noinspection ES6MissingAwait - store.dispatch( - "processAssay", - [assay, false, (assay as ProteomicsAssay).getSearchConfiguration()] - ); - } - - study.addChangeListener(new FileSystemStudyChangeListener()); - } catch (err) { - this.reportError(err); - } + // try { + // if (!directoryPath.endsWith("/")) { + // directoryPath += "/"; + // } + // + // const studyName: string = path.basename(directoryPath); + // + // if (store.getters.studies.find((study: Study) => study.getName() === studyName)) { + // // Study exists already, nothing needs to be done. + // return; + // } + // + // const study: Study = new Study(uuidv4()); + // study.setName(studyName); + // + // const studyWriter: FileSystemStudyVisitor = new StudyFileSystemDataWriter( + // directoryPath, + // store.getters.dbManager + // ); + // await study.accept(studyWriter); + // + // // This reader directly reads all assays associated with this study from disk. + // const studyReader = new StudyFileSystemDataReader( + // directoryPath, + // store.getters.dbManager, + // store.getters.projectLocation + // ); + // await study.accept(studyReader); + // + // await store.dispatch("addStudy", study); + // + // // Now we should launch the processing for every assay of this study. + // for (const assay of study.getAssays()) { + // await store.dispatch("addAssay", assay); + // // noinspection ES6MissingAwait + // store.dispatch( + // "analyseAssay", + // assay + // ); + // } + // + // study.addChangeListener(new FileSystemStudyChangeListener()); + // } catch (err) { + // this.reportError(err); + // } } private async fileChanged(filePath: string) { - try { - const studyName: string = path.basename(path.dirname(filePath)); - - const study: Study = store.getters.studies.find((study: Study) => study.getName() === studyName); - - if (!study) { - return; - } - - const assayName: string = path.basename(filePath).replace(".pep", ""); - const assay: ProteomicsAssay = study.getAssays().find( - assay => assay.getName() === assayName - ) as ProteomicsAssay; - - if (!assay) { - return; - } - - const dataReader: FileSystemAssayVisitor = new AssayFileSystemDataReader( - path.dirname(filePath), - store.getters.dbManager - ); - - // This assay's change listener should be active at this point and should reprocess automatically. - await assay.accept(dataReader); - } catch (err) { - this.reportError(err); - } + // try { + // const studyName: string = path.basename(path.dirname(filePath)); + // + // const study: Study = store.getters.studies.find((study: Study) => study.getName() === studyName); + // + // if (!study) { + // return; + // } + // + // const assayName: string = path.basename(filePath).replace(".pep", ""); + // const assay: ProteomicsAssay = study.getAssays().find( + // assay => assay.getName() === assayName + // ) as ProteomicsAssay; + // + // if (!assay) { + // return; + // } + // + // const dataReader: FileSystemAssayVisitor = new AssayFileSystemDataReader( + // path.dirname(filePath), + // store.getters.dbManager + // ); + // + // // This assay's change listener should be active at this point and should reprocess automatically. + // await assay.accept(dataReader); + // } catch (err) { + // this.reportError(err); + // } } private async fileDeleted(filePath: string) { - try { - // Delete the assay that was just removed from disk. - const studyName: string = path.basename(path.dirname(filePath)); - - if (filePath.endsWith(".pep")) { - const study: Study = store.getters.studies.find((study: Study) => study.getName() === studyName); - - if (!study) { - return; - } - - const assayName: string = path.basename(filePath).replace(".pep", ""); - - const assay: Assay = study.getAssays().find(assay => assay.getName() === assayName); - if (assay) { - await study.removeAssay(assay); - const assayDestroyer = new AssayFileSystemDestroyer( - store.getters.projectLocation + studyName, - store.getters.dbManager - ); - - await assay.accept(assayDestroyer); - store.dispatch("removeAssay", assay); - store.dispatch("resetActiveAssay"); - } - } - } catch (err) { - this.reportError(err); - } + // try { + // // Delete the assay that was just removed from disk. + // const studyName: string = path.basename(path.dirname(filePath)); + // + // if (filePath.endsWith(".pep")) { + // const study: Study = store.getters.studies.find((study: Study) => study.getName() === studyName); + // + // if (!study) { + // return; + // } + // + // const assayName: string = path.basename(filePath).replace(".pep", ""); + // + // const assay: Assay = study.getAssays().find(assay => assay.getName() === assayName); + // if (assay) { + // await study.removeAssay(assay); + // const assayDestroyer = new AssayFileSystemDestroyer( + // store.getters.projectLocation + studyName, + // store.getters.dbManager + // ); + // + // await assay.accept(assayDestroyer); + // store.dispatch("removeAssay", assay); + // store.dispatch("resetActiveAssay"); + // } + // } + // } catch (err) { + // this.reportError(err); + // } } private async directoryDeleted(directoryPath: string) { - try { - const studyName: string = path.basename(directoryPath); - const studyIdx: number = store.getters.studies.findIndex((study: Study) => study.getName() === studyName); - - if (studyIdx === -1) { - return; - } - - const study = store.getters.studies[studyIdx]; - - const assayDestroyer = new AssayFileSystemDestroyer( - store.getters.projectLocation + studyName, - store.getters.dbManager - ); - - for (const assay of study.getAssays()) { - await assay.accept(assayDestroyer); - } - - const studyDestroyer = new StudyFileSystemRemover( - store.getters.projectLocation + studyName, - store.getters.dbManager - ); - - await study.accept(studyDestroyer); - - await store.dispatch("removeStudy", study); - store.dispatch("resetActiveAssay"); - } catch (err) { - this.reportError(err); - } + // try { + // const studyName: string = path.basename(directoryPath); + // const studyIdx: number = store.getters.studies.findIndex((study: Study) => study.getName() === studyName); + // + // if (studyIdx === -1) { + // return; + // } + // + // const study = store.getters.studies[studyIdx]; + // + // const assayDestroyer = new AssayFileSystemDestroyer( + // store.getters.projectLocation + studyName, + // store.getters.dbManager + // ); + // + // for (const assay of study.getAssays()) { + // await assay.accept(assayDestroyer); + // } + // + // const studyDestroyer = new StudyFileSystemRemover( + // store.getters.projectLocation + studyName, + // store.getters.dbManager + // ); + // + // await study.accept(studyDestroyer); + // + // await store.dispatch("removeStudy", study); + // store.dispatch("resetActiveAssay"); + // } catch (err) { + // this.reportError(err); + // } } private reportError(error: Error): void { diff --git a/src/logic/filesystem/project/ProjectManager.ts b/src/logic/filesystem/project/ProjectManager.ts index 5f31ce61..5f708e56 100644 --- a/src/logic/filesystem/project/ProjectManager.ts +++ b/src/logic/filesystem/project/ProjectManager.ts @@ -8,9 +8,7 @@ import RecentProjectsManager from "@/logic/filesystem/project/RecentProjectsMana import { Study, IOException } from "unipept-web-components"; import { Database as DatabaseType } from "better-sqlite3"; import { v4 as uuidv4 } from "uuid"; -import StudyFileSystemMetaDataWriter from "@/logic/filesystem/study/StudyFileSystemMetaDataWriter"; -import FileSystemStudyChangeListener from "@/logic/filesystem/study/FileSystemStudyChangeListener"; -import FileSystemAssayChangeListener from "@/logic/filesystem/assay/FileSystemAssayChangeListener"; +import StudyFileSystemDataWriter from "@/logic/filesystem/study/StudyFileSystemDataWriter"; import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; import Utils from "@/logic/Utils"; import ProjectVersionMismatchException from "@/logic/exception/ProjectVersionMismatchException"; @@ -21,7 +19,7 @@ const app = electron.remote.app; export default class ProjectManager { public static readonly DB_FILE_NAME: string = "metadata.sqlite"; // Reading and writing large assays to and from the database can easily take longer than 5 seconds, causing - // a "SQLBusyException" to b§e thrown. By increasing the timeout to a value, larger than the time it should take + // a "SQLBusyException" to be thrown. By increasing the timeout to a value, larger than the time it should take // to execute these transactions, these errors can be avoided. public static readonly DB_TIMEOUT: number = 15000; @@ -58,7 +56,7 @@ export default class ProjectManager { const studies = []; for (const directory of subDirectories) { - studies.push(await this.loadStudy(`${projectLocation}${directory}`, dbManager)); + studies.push(await this.loadStudy(`${projectLocation}${directory}`, dbManager, projectLocation)); } if (addToRecents) { @@ -66,13 +64,6 @@ export default class ProjectManager { } await store.dispatch("initializeProject", [projectLocation, dbManager, studies]); - - for (const study of studies) { - for (const assay of study.getAssays()) { - assay.addChangeListener(new FileSystemAssayChangeListener(study)); - } - study.addChangeListener(new FileSystemStudyChangeListener()); - } } /** @@ -98,7 +89,11 @@ export default class ProjectManager { return new DatabaseManager(projectLocation + ProjectManager.DB_FILE_NAME); } - private async loadStudy(directory: string, dbManager: DatabaseManager): Promise { + private async loadStudy( + directory: string, + dbManager: DatabaseManager, + projectLocation: string + ): Promise { if (!directory.endsWith("/")) { directory += "/"; } @@ -119,11 +114,11 @@ export default class ProjectManager { study.setName(studyName); - const studyWriter = new StudyFileSystemMetaDataWriter(directory, dbManager); + const studyWriter = new StudyFileSystemDataWriter(directory, dbManager); await study.accept(studyWriter); // Read all assays from this study - const studyReader = new StudyFileSystemDataReader(directory, dbManager); + const studyReader = new StudyFileSystemDataReader(directory, dbManager, projectLocation); await study.accept(studyReader); return study; diff --git a/src/logic/filesystem/study/FileSystemStudyChangeListener.ts b/src/logic/filesystem/study/FileSystemStudyChangeListener.ts deleted file mode 100644 index a1af9664..00000000 --- a/src/logic/filesystem/study/FileSystemStudyChangeListener.ts +++ /dev/null @@ -1,65 +0,0 @@ -import * as fs from "fs"; -import { store } from "./../../../main"; -import StudyFileSystemMetaDataWriter from "@/logic/filesystem/study/StudyFileSystemMetaDataWriter"; -import AssayFileSystemDestroyer from "@/logic/filesystem/assay/AssayFileSystemDestroyer"; -import AssayFileSystemDataWriter from "@/logic/filesystem/assay/AssayFileSystemDataWriter"; -import FileSystemStudyVisitor from "@/logic/filesystem/study/FileSystemStudyVisitor"; -import FileSystemAssayVisitor from "@/logic/filesystem/assay/FileSystemAssayVisitor"; -import { AssayFileSystemMetaDataWriter } from "@/logic/filesystem/assay/AssayFileSystemMetaDataWriter"; -import { ChangeListener, Study, Assay, ProteomicsAssay } from "unipept-web-components"; - -export default class FileSystemStudyChangeListener implements ChangeListener { - public async onChange(object: Study, field: string, oldValue: any, newValue: any) { - if (field === "name") { - await this.renameStudyFile(object, oldValue, newValue); - } else if (field === "delete-assay") { - await this.removeAssay(object, oldValue); - } else if (field === "add-assay") { - await this.createAssay(object, newValue); - } - } - - private async renameStudyFile(study: Study, oldName: string, newName: string): Promise { - if (!oldName || oldName === newName) { - return; - } - - fs.renameSync( - `${store.getters.projectLocation}${oldName}`, - `${store.getters.projectLocation}${newName}` - ); - - // Also write this information to the database... - const studyWriter: FileSystemStudyVisitor = new StudyFileSystemMetaDataWriter( - `${store.getters.projectLocation}${newName}`, - store.getters.dbManager - ); - - await study.accept(studyWriter); - } - - private async removeAssay(study: Study, assay: Assay): Promise { - const assayRemover: FileSystemAssayVisitor = new AssayFileSystemDestroyer( - `${store.getters.projectLocation}${study.getName()}`, - store.getters.dbManager - ); - - await assay.accept(assayRemover); - } - - private async createAssay(study: Study, assay: Assay): Promise { - const path: string = `${store.getters.projectLocation}${study.getName()}/`; - const metaDataWriter: FileSystemAssayVisitor = new AssayFileSystemMetaDataWriter( - path, - store.getters.dbManager, - study - ); - const dataWriter: FileSystemAssayVisitor = new AssayFileSystemDataWriter(path, store.getters.dbManager); - - await assay.accept(metaDataWriter); - await assay.accept(dataWriter); - - // TODO - // await this.project.processAssay(assay as ProteomicsAssay); - } -} diff --git a/src/logic/filesystem/study/StudyFileSystemDataReader.ts b/src/logic/filesystem/study/StudyFileSystemDataReader.ts index aa76fde5..1b342e17 100644 --- a/src/logic/filesystem/study/StudyFileSystemDataReader.ts +++ b/src/logic/filesystem/study/StudyFileSystemDataReader.ts @@ -1,12 +1,11 @@ import FileSystemStudyVisitor from "./FileSystemStudyVisitor"; import * as fs from "fs"; import path from "path"; -import { v4 as uuidv4 } from "uuid"; -import { AssayFileSystemMetaDataWriter } from "@/logic/filesystem/assay/AssayFileSystemMetaDataWriter"; import AssayFileSystemDataReader from "@/logic/filesystem/assay/AssayFileSystemDataReader"; import { Study, Assay, ProteomicsAssay, AssayVisitor, IOException } from "unipept-web-components"; -import AssayFileSystemMetaDataReader from "@/logic/filesystem/assay/AssayFileSystemMetaDataReader"; import { Database } from "better-sqlite3"; +import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; +import AssayFileSystemDataWriter from "@/logic/filesystem/assay/AssayFileSystemDataWriter"; /** @@ -17,6 +16,14 @@ import { Database } from "better-sqlite3"; * @author Pieter Verschaffelt */ export default class StudyFileSystemDataReader extends FileSystemStudyVisitor { + constructor( + studyPath: string, + dbManager: DatabaseManager, + private readonly projectLocation: string + ) { + super(studyPath, dbManager); + } + public async visitStudy(study: Study): Promise { try { // Try to read all assays and replace current assays where necessary. @@ -31,7 +38,7 @@ export default class StudyFileSystemDataReader extends FileSystemStudyVisitor { const row = await this.dbManager.performQuery((db: Database) => { return db.prepare( - "SELECT * FROM assays WHERE `name`=? and `study_id`=?" + "SELECT * FROM assays WHERE `name` = ? and `study_id` = ?" ).get(assayName, study.getId()); }); @@ -40,14 +47,14 @@ export default class StudyFileSystemDataReader extends FileSystemStudyVisitor { assay = new ProteomicsAssay(row.id); assay.setName(assayName); - const assayVisitor = new AssayFileSystemMetaDataReader(this.studyPath, this.dbManager); + const assayVisitor = new AssayFileSystemDataReader(this.studyPath, this.dbManager, this.projectLocation); await assay.accept(assayVisitor); } else { // If assay not present in metadata, create a new UUID and write it to metadata. - assay = new ProteomicsAssay(uuidv4()); + assay = new ProteomicsAssay(); assay.setName(assayName); - const assayVisitor: AssayVisitor = new AssayFileSystemMetaDataWriter( + const assayVisitor: AssayVisitor = new AssayFileSystemDataWriter( this.studyPath, this.dbManager, study @@ -55,15 +62,7 @@ export default class StudyFileSystemDataReader extends FileSystemStudyVisitor { await assay.accept(assayVisitor); } - // Also read in any data related to this assay. - try { - const dataReader: AssayVisitor = new AssayFileSystemDataReader(this.studyPath, this.dbManager); - await assay.accept(dataReader); - - study.addAssay(assay); - } catch (err) { - // Do nothing... - } + study.addAssay(assay); } } catch (err) { throw new IOException(err); diff --git a/src/logic/filesystem/study/StudyFileSystemMetaDataWriter.ts b/src/logic/filesystem/study/StudyFileSystemDataWriter.ts similarity index 89% rename from src/logic/filesystem/study/StudyFileSystemMetaDataWriter.ts rename to src/logic/filesystem/study/StudyFileSystemDataWriter.ts index 60b8a36c..436f8a7d 100644 --- a/src/logic/filesystem/study/StudyFileSystemMetaDataWriter.ts +++ b/src/logic/filesystem/study/StudyFileSystemDataWriter.ts @@ -7,7 +7,7 @@ import { Database } from "better-sqlite3"; /** * Class that's able to fully serialize a Study-object to the local filesystem. */ -export default class StudyFileSystemMetaDataWriter extends FileSystemStudyVisitor { +export default class StudyFileSystemDataWriter extends FileSystemStudyVisitor { public async visitStudy(study: Study): Promise { try { // Make study directory if it does not exist yet... diff --git a/src/logic/filesystem/trust/PeptideTrustManager.ts b/src/logic/filesystem/trust/PeptideTrustManager.ts new file mode 100644 index 00000000..d87d114e --- /dev/null +++ b/src/logic/filesystem/trust/PeptideTrustManager.ts @@ -0,0 +1,42 @@ +import DatabaseManager from "@/logic/filesystem/database/DatabaseManager"; +import { PeptideTrust } from "unipept-web-components"; +import { PeptideTrustTableRow } from "@/logic/filesystem/database/Schema"; +import { Database } from "better-sqlite3"; + +export default class PeptideTrustManager { + constructor( + private readonly dbManager: DatabaseManager + ) {} + + public async readTrust(assayId: string): Promise { + const trustRow = await this.dbManager.performQuery((db: Database) => { + return db.prepare("SELECT * FROM peptide_trust WHERE assay_id = ?").get(assayId); + }); + + if (trustRow) { + return new PeptideTrust( + JSON.parse(trustRow.missed_peptides), + trustRow.matched_peptides, + trustRow.searched_peptides + ); + } + + return undefined; + } + + public async writeTrust(assayId: string, trust: PeptideTrust): Promise { + await this.dbManager.performQuery((db: Database) => { + return db.prepare( + ` + REPLACE INTO peptide_trust (assay_id, missed_peptides, matched_peptides, searched_peptides) + VALUES (?, ?, ?, ?) + ` + ).run( + assayId, + JSON.stringify(trust.missedPeptides), + trust.matchedPeptides, + trust.searchedPeptides + ); + }); + } +} diff --git a/src/main.ts b/src/main.ts index dd31b443..50de363e 100644 --- a/src/main.ts +++ b/src/main.ts @@ -2,26 +2,7 @@ import Vue from "vue" import App from "./App.vue" import vuetify from "./plugins/vuetify"; -import { - createAssayStore, - AssayState, - lcaOntologyStore, - FilterStore, - ConfigurationStore, - CountTable, - Peptide, - EcCountTableProcessor, - GoCountTableProcessor, - InterproCountTableProcessor, - SearchConfiguration, - CommunicationSource, - ProteomicsAssay, - EcOntologyProcessor, - GoOntologyProcessor, - InterproOntologyProcessor, - ProgressListener, - FunctionalOntologyStoreFactory -} from "unipept-web-components"; +import { ConfigurationStore, AssayStoreFactory, SinglePeptideStoreFactory } from "unipept-web-components"; import Vuex, { ActionContext } from "vuex"; import VueRouter from "vue-router"; @@ -29,17 +10,17 @@ import vueFullscreen from "vue-fullscreen"; import { DesktopConfigurationStore } from "@/state/DesktopConfigurationStore"; import { projectStore } from "@/state/ProjectStore"; -import { summaryStore } from "@/state/PeptideSummaryStore"; +import { customDatabaseStore } from "@/state/DockerStore"; import { ComparativeStore } from "@/state/ComparativeStore"; import HomePage from "@/components/pages/HomePage.vue"; import AnalysisPage from "@/components/pages/analysis/AnalysisPage.vue"; import SettingsPage from "@/components/pages/SettingsPage.vue"; import ComparativeAnalysisPage from "@/components/pages/analysis/ComparativeAnalysisPage.vue"; -import DesktopAssayProcessor from "@/logic/communication/DesktopAssayProcessor"; import PeptideAnalysisPage from "@/components/pages/PeptideAnalysisPage.vue"; import SingleAssayAnalysisPage from "@/components/pages/analysis/SingleAssayAnalysisPage.vue"; +import CustomDatabasePage from "@/components/pages/CustomDatabasePage.vue"; const { app } = require("electron").remote; const bt = require("backtrace-js"); @@ -59,54 +40,19 @@ Vue.use(VueRouter); Vue.use(Vuex); Vue.use(vueFullscreen); -const functionalStoreFactory = new FunctionalOntologyStoreFactory(); -const ecStore = functionalStoreFactory.createOntologyStore( - ( - x: CountTable, - configuration: SearchConfiguration, - communicationSource: CommunicationSource - ) => new EcCountTableProcessor(x, configuration, communicationSource), - (communicationSource: CommunicationSource) => new EcOntologyProcessor(communicationSource) -); -const goStore = functionalStoreFactory.createOntologyStore( - ( - x: CountTable, - configuration: SearchConfiguration, - communicationSource: CommunicationSource - ) => new GoCountTableProcessor(x, configuration, communicationSource), - (communicationSource: CommunicationSource) => new GoOntologyProcessor(communicationSource) -); -const iprStore = functionalStoreFactory.createOntologyStore( - ( - x: CountTable, - configuration: SearchConfiguration, - communicationSource: CommunicationSource - ) => new InterproCountTableProcessor(x, configuration, communicationSource), - (communicationSource: CommunicationSource) => new InterproOntologyProcessor(communicationSource) -); - -const assayStore = createAssayStore(( - store: ActionContext, - assay: ProteomicsAssay, - progressListener: ProgressListener -) => { - return new DesktopAssayProcessor(store.getters.dbManager, assay, progressListener); -}); +const assayStoreFactory = new AssayStoreFactory(); +const singlePeptideStoreFactory = new SinglePeptideStoreFactory(); export const store = new Vuex.Store({ modules: { - assay: assayStore, - filter: FilterStore, + assay: assayStoreFactory.constructAssayStore(), + singlePeptide: singlePeptideStoreFactory.constructSinglePeptideStoreFactory("https://api.unipept.ugent.be"), configuration: ConfigurationStore, desktopConfiguration: DesktopConfigurationStore, comparative: ComparativeStore, - ec: ecStore, - go: goStore, - interpro: iprStore, - ncbi: lcaOntologyStore, project: projectStore, - peptideSummary: summaryStore + customDatabase: customDatabaseStore } }); @@ -145,6 +91,13 @@ const routes = [ title: "Tryptic peptide analysis" } }, + { + path: "/databases", + component: CustomDatabasePage, + meta: { + title: "Custom databases" + } + }, { path: "/settings", component: SettingsPage, diff --git a/src/state/DockerStore.ts b/src/state/DockerStore.ts new file mode 100644 index 00000000..8de64718 --- /dev/null +++ b/src/state/DockerStore.ts @@ -0,0 +1,299 @@ +import CustomDatabase from "@/logic/custom_database/CustomDatabase"; +import { ActionContext, ActionTree, GetterTree, MutationTree } from "vuex"; +import { NcbiId, ProgressReport } from "unipept-web-components"; +import DockerCommunicator from "@/logic/communication/docker/DockerCommunicator"; +import Vue from "vue"; +import { queue } from "async"; +import Configuration from "@/logic/configuration/Configuration"; +import * as path from "path"; +import CustomDatabaseManager from "@/logic/filesystem/docker/CustomDatabaseManager"; + +type CustomDatabaseInfo = { + database: CustomDatabase, + progress: ProgressReport, + // Whether the database has been constructed successfully. + ready: boolean +}; + +export { CustomDatabaseInfo }; + +const progressSteps: string[] = [ + "Creating taxon tables", + "Initializing database build process", + "Downloading database", + "Processing chunks", + "Started building main database tables", + "Calculating lowest common ancestors", + "Calculating functional annotations", + "Sorting peptides", + "Creating sequence table", + "Fetching EC numbers", + "Fetching GO terms", + "Fetching InterPro entries", + "Filling database and computing indices" +]; + +export interface CustomDatabaseState { + databases: CustomDatabaseInfo[], + // A list of all custom database objects that are queued for construction. Once the previous database has been + // built, the next one can be retrieved from this list and should start it's construction. This list is populated + // when the application starts. + queue: CustomDatabase[], + // Is the construction process for at least one database currently in progress? + constructionInProgress: boolean +} + +const databaseState: CustomDatabaseState = { + databases: [], + queue: [], + constructionInProgress: false +} + + +const databaseGetters: GetterTree = { + databases(state: CustomDatabaseState): CustomDatabaseInfo[] { + return state.databases; + }, + + databaseInfo(state: CustomDatabaseState): (db: CustomDatabase) => CustomDatabaseInfo | undefined { + return (db: CustomDatabase) => state.databases.find(d => d.database.name === db.name); + }, + + queue(state: CustomDatabaseState): CustomDatabase[] { + return state.queue; + }, + + constructionInProgress(state: CustomDatabaseState): boolean { + return state.constructionInProgress; + } +} + +const databaseMutations: MutationTree = { + ADD_DATABASE( + state: CustomDatabaseState, + database: CustomDatabase + ) { + state.databases.push({ + database: database, + progress: { + steps: progressSteps, + startTimes: new Array(progressSteps.length).fill(0), + endTimes: new Array(progressSteps.length).fill(0), + currentStep: 0, + currentValue: -1, + eta: -1 + }, + ready: false + }); + }, + + UPDATE_DATABASE_PROGRESS( + state: CustomDatabaseState, + [database, step, value]: [CustomDatabase, number, number] + ) { + const dbObj = state.databases.find(db => db.database.name === database.name); + dbObj.progress.currentValue = value; + dbObj.progress.currentStep = step; + + const time = new Date().getTime(); + + for (let i = step - 1; i > 0; i--) { + if (dbObj.progress.endTimes[i] === 0) { + dbObj.progress.endTimes[i] = time; + } + + if (dbObj.progress.startTimes[i] === 0) { + dbObj.progress.startTimes[i] = time; + } + } + + if (dbObj.progress.startTimes[step] === 0) { + dbObj.progress.startTimes[step] = time; + } + }, + + UPDATE_DATABASE_STATUS( + state: CustomDatabaseState, + [database, status]: [CustomDatabase, boolean] + ) { + const dbObj = state.databases.find(db => db.database.name === database.name); + const progressObj = dbObj.progress; + + const time = new Date().getTime(); + + if (status) { + // Store end time for the last progress + for (let i = 0; i < progressObj.steps.length; i++) { + if (progressObj.startTimes[i] === 0) { + progressObj.startTimes[i] = time; + } + + if (progressObj.endTimes[i] === 0) { + progressObj.endTimes[i] = time; + } + } + } else { + // Reset progress values + for (let i = 0; i < progressObj.steps.length; i++) { + progressObj.startTimes[i] = 0; + progressObj.endTimes[i] = 0; + } + } + + dbObj.ready = status; + }, + + INITIALIZE_QUEUE( + state: CustomDatabaseState, + queueContents: CustomDatabase[] + ) { + state.queue.splice(0, state.queue.length); + state.queue.push(...queueContents); + }, + + ADD_TO_QUEUE( + state: CustomDatabaseState, + db: CustomDatabase + ) { + state.queue.push(db); + }, + + REMOVE_FROM_QUEUE( + state: CustomDatabaseState, + db: CustomDatabase + ) { + const idx = state.queue.findIndex(c => c.name === db.name); + state.queue.splice(idx, 1); + }, + + UPDATE_CONSTRUCTION_STATUS( + state: CustomDatabaseState, + inProgress: boolean + ) { + state.constructionInProgress = inProgress; + }, + + ADD_TO_DB_LIST( + state: CustomDatabaseState, + list: CustomDatabase[] + ) { + for (const db of list) { + state.databases.push({ + database: db, + progress: { + steps: progressSteps, + startTimes: new Array(progressSteps.length).fill(0), + endTimes: new Array(progressSteps.length).fill(0), + currentStep: 0, + currentValue: -1, + eta: -1 + }, + ready: true + }); + } + } +} + +const databaseActions: ActionTree = { + buildDatabase: { + root: false, + async handler( + store: ActionContext, + [ + dbName, + databaseSources, + databaseTypes, + taxa, + configuration + ]: [ + string, + string[], + string[], + NcbiId[], + Configuration + ] + ) { + // TODO change to correct most recent version, retrieved from the Expasy FTP server. + const dbVersion = "2021.3"; + + // TODO count exact number of entries that will be present in this database. + const customDb = new CustomDatabase( + dbName, + databaseSources, + databaseTypes, + taxa, + 0, + dbVersion + ); + + store.commit("ADD_DATABASE", customDb); + + const customDbMng = new CustomDatabaseManager(); + await customDbMng.updateMetadata(configuration.customDbStorageLocation, customDb); + + if (!store.getters.constructionInProgress) { + await startDatabaseConstruction(store, customDb, configuration); + } + } + }, + + initializeQueue( + store: ActionContext, + [queue, configuration]: [CustomDatabase[], Configuration] + ) { + for (const db of queue) { + store.commit("ADD_DATABASE", db); + } + store.commit("INITIALIZE_QUEUE", queue); + + setInterval( + async() => { + if (!store.getters.constructionInProgress) { + // If no databases are currently being constructed, and at least one database is waiting in the + // queue, we should start the construction process for this database. + if (store.getters.queue.length > 0) { + await startDatabaseConstruction(store, store.getters.queue[0], configuration); + } + } + }, + 1000 + ); + }, + + initializeReadyDatabases( + store: ActionContext, + dbList: CustomDatabase[] + ) { + store.commit("ADD_TO_DB_LIST", dbList); + } +} + +const startDatabaseConstruction = async function( + store: ActionContext, + customDb: CustomDatabase, + configuration: Configuration +) { + store.commit("UPDATE_CONSTRUCTION_STATUS", true); + + const dockerCommunicator = new DockerCommunicator(); + await dockerCommunicator.buildDatabase( + customDb, + path.join(configuration.customDbStorageLocation, "databases", customDb.name), + path.join(configuration.customDbStorageLocation, "index"), + (step, value, progress_step) => { + store.commit("UPDATE_DATABASE_PROGRESS", [customDb, step, value, progress_step]); + } + ); + + const customManager = new CustomDatabaseManager(); + customManager.updateMetadata(configuration.customDbStorageLocation, customDb); + + store.commit("UPDATE_DATABASE_STATUS", [customDb, true]); +} + +export const customDatabaseStore = { + state: databaseState, + getters: databaseGetters, + mutations: databaseMutations, + actions: databaseActions +} diff --git a/src/state/PeptideSummaryStore.ts b/src/state/PeptideSummaryStore.ts deleted file mode 100644 index 3b6dcf52..00000000 --- a/src/state/PeptideSummaryStore.ts +++ /dev/null @@ -1,179 +0,0 @@ -import { ActionContext, ActionTree, GetterTree, MutationTree } from "vuex"; -import ProteomicsAssay from "unipept-web-components/src/business/entities/assay/ProteomicsAssay"; -import { DataOptions } from "vuetify"; -import { ItemType } from "./PeptideSummaryTable.worker"; -import { Ontology } from "unipept-web-components/src/business/ontology/Ontology"; -import NcbiTaxon from "unipept-web-components/src/business/ontology/taxonomic/ncbi/NcbiTaxon"; -import { NcbiId } from "unipept-web-components/src/business/ontology/taxonomic/ncbi/NcbiTaxon"; -import { CountTable } from "unipept-web-components/src/business/counts/CountTable"; -import { Peptide } from "unipept-web-components/src/business/ontology/raw/Peptide"; -import Worker from "worker-loader?inline=fallback!./PeptideSummaryTable.worker" - -export interface SummaryData { - assay: ProteomicsAssay, - progress: number -} - -export interface PeptideSummaryState { - summaryData: SummaryData[], - selectedPeptide: Peptide, - equateIl: boolean -} - -let inProgress: Promise; -let summaryWorker: any; - -const summaryState: PeptideSummaryState = { - summaryData: [], - selectedPeptide: "", - equateIl: false -} - -const summaryGetters: GetterTree = { - getSummaryItems(state: PeptideSummaryState): (assay: ProteomicsAssay, options: DataOptions) => Promise { - return async(assay: ProteomicsAssay, options: DataOptions) => { - while (inProgress) { - await inProgress; - } - - inProgress = new Promise(async(resolve, reject) => { - const eventListener = (message: MessageEvent) => { - summaryWorker.removeEventListener("message", eventListener); - resolve(message.data.result); - } - - summaryWorker.addEventListener("message", eventListener) - - summaryWorker.postMessage( - { - type: "getItems", - args: [assay.getId(), options] - } - ); - }); - - const result = await inProgress; - inProgress = undefined; - return result; - } - }, - - getProgress(state: PeptideSummaryState): (assay: ProteomicsAssay) => number { - return (assay: ProteomicsAssay) => summaryState.summaryData.find(d => d.assay.id === assay.id)?.progress || 0.0; - }, - - selectedPeptide(state: PeptideSummaryState): Peptide { - return state.selectedPeptide; - }, - - equateIl(state: PeptideSummaryState): boolean { - return state.equateIl; - } -} - -const summaryMutations: MutationTree = { - INIT_ASSAY_DATA(state: PeptideSummaryState, assay: ProteomicsAssay) { - let data = summaryState.summaryData.find(d => d.assay.id === assay.id); - if (!data) { - data = { - assay: assay, - progress: 0 - } - summaryState.summaryData.push(data); - } else { - data.progress = 0; - } - }, - - SET_PROGRESS(state: PeptideSummaryState, [assay, progress]: [ProteomicsAssay, number]) { - summaryState.summaryData.find(d => d.assay.id === assay.id).progress = progress; - }, - - SET_SELECTED_PEPTIDE(state: PeptideSummaryState, peptide: Peptide): void { - state.selectedPeptide = peptide; - }, - - SET_EQUATE_IL(state: PeptideSummaryState, equateIl: boolean): void { - state.equateIl = equateIl; - } -} - -const summaryActions: ActionTree = { - lcaOntologyProcessed: { - root: true, - async handler( - store: ActionContext, - [ - assay, - ontology - ]: [ - ProteomicsAssay, - Ontology - ] - ) { - store.commit("INIT_ASSAY_DATA", assay); - - while (inProgress) { - await inProgress; - } - - inProgress = new Promise(async(resolve, reject) => { - if (!summaryWorker) { - summaryWorker = new Worker(); - } - - const assayData = store.rootGetters["assayData"](assay); - - if (!assayData) { - // The assay no longer exists... - resolve(); - return; - } - - const communicationSource = assayData.communicationSource; - const countTable: CountTable = assayData.peptideCountTable; - const pept2DataCommunicator = communicationSource.getPept2DataCommunicator(); - const responseMap = pept2DataCommunicator.getPeptideResponseMap(assay.getSearchConfiguration()); - const [indexBuffer, dataBuffer] = responseMap.getBuffers(); - - await new Promise((resolve) => { - const eventListener = (message: MessageEvent) => { - summaryWorker.removeEventListener("message", eventListener); - resolve(); - } - - summaryWorker.addEventListener("message", eventListener) - - summaryWorker.postMessage( - { - type: "computeItems", - args: [assay.getId(), indexBuffer, dataBuffer, countTable.toMap(), ontology] - } - ); - }); - - store.commit("SET_PROGRESS", [assay, 1]); - - resolve(); - }); - - await inProgress; - inProgress = undefined; - } - }, - - setPeptide(store: ActionContext, [peptide, equateIl]: [Peptide, boolean]) { - store.commit("SET_SELECTED_PEPTIDE", peptide); - store.commit("SET_EQUATE_IL", equateIl); - } -} - -export const summaryStore = { - namespaced: true, - state: summaryState, - getters: summaryGetters, - mutations: summaryMutations, - actions: summaryActions -} - - diff --git a/src/state/PeptideSummaryTable.worker.ts b/src/state/PeptideSummaryTable.worker.ts deleted file mode 100644 index 050e0b75..00000000 --- a/src/state/PeptideSummaryTable.worker.ts +++ /dev/null @@ -1,107 +0,0 @@ -import { ShareableMap } from "shared-memory-datastructures"; -import NcbiTaxon from "unipept-web-components/src/business/ontology/taxonomic/ncbi/NcbiTaxon"; -import { Peptide } from "unipept-web-components/src/business/ontology/raw/Peptide"; -import { Ontology } from "unipept-web-components/src/business/ontology/Ontology"; -import PeptideData from "unipept-web-components/src/business/communication/peptides/PeptideData"; -import PeptideDataSerializer from "unipept-web-components/src/business/communication/peptides/PeptideDataSerializer"; -import { DataOptions } from "vuetify"; - -export type ItemType = { - peptide: string, - count: number, - lca: string, - rank: string -}; - -const ctx: Worker = self as any; - -ctx.addEventListener("message", (message: MessageEvent) => { - if (message.data.type === "computeItems") { - computeItems(message.data.args); - ctx.postMessage({ - type: "result" - }); - } else if (message.data.type === "getItems") { - ctx.postMessage({ - type: "result", - result: getItems(message.data.args) - }); - } -}); - -// Maps an assay's id onto a list of all peptide summary items for this assay. -const itemsPerAssay: Map = new Map(); - -function computeItems( - [ - assayId, - indexBuffer, - dataBuffer, - countTable, - lcaOntology - ]: [string, ArrayBuffer, ArrayBuffer, Map, Ontology] -): void { - const output = []; - - const pept2DataMap: ShareableMap = new ShareableMap( - 0, - 0, - new PeptideDataSerializer() - ); - pept2DataMap.setBuffers(indexBuffer, dataBuffer); - - for (const peptide of countTable.keys()) { - const response: PeptideData = pept2DataMap.get(peptide); - let lcaName: string = "N/A"; - let rank: string = "N/A"; - - if (response) { - // @ts-ignore - const lcaDefinition = lcaOntology.definitions.get(response.lca); - lcaName = lcaDefinition ? lcaDefinition.name : lcaName; - rank = lcaDefinition ? lcaDefinition.rank : rank; - } - - output.push({ - peptide: peptide, - count: countTable.get(peptide), - lca: lcaName, - rank: rank - }); - } - - - itemsPerAssay.set(assayId, output); -} - -function getItems([assayId, options]: [string, DataOptions]): ItemType[] { - const itemsForAssay = itemsPerAssay.get(assayId); - - if (!itemsForAssay) { - return []; - } - - const start = options.itemsPerPage * (options.page - 1); - let end = options.itemsPerPage * options.page; - - if (end > itemsForAssay.length) { - end = itemsForAssay.length; - } - - let sortKey = "peptide"; - - if (options.sortBy.length > 0) { - sortKey = options.sortBy[0]; - } - - itemsForAssay.sort((a: ItemType, b: ItemType) => { - // @ts-ignore - let value: number = a[sortKey] > b[sortKey] ? 1 : -1; - if (options.sortDesc.length > 0 && options.sortDesc[0]) { - value *= -1; - } - return value; - }) - - return itemsForAssay.slice(start, end); -} diff --git a/src/state/ProjectStore.ts b/src/state/ProjectStore.ts index 68d1815f..1ca5a210 100644 --- a/src/state/ProjectStore.ts +++ b/src/state/ProjectStore.ts @@ -96,15 +96,15 @@ const projectActions: ActionTree = { const name = path.basename(projectDirectory); - store.commit("SET_PROJECT", [name, projectDirectory, dbManager]); for (const study of studies) { for (const assay of study.getAssays()) { await store.dispatch("addAssay", assay); store.dispatch( - "processAssay", - [assay, false, (assay as ProteomicsAssay).getSearchConfiguration()]); + "analyseAssay", + assay + ); } }