From b20cf700cd423858e4d73a36200f56069e2fee45 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Tue, 14 Nov 2023 12:11:02 +0100 Subject: [PATCH 01/19] fix: build esm and not cjs --- package.json | 9 ++++----- tsconfig.cjs.json | 10 ---------- tsconfig.json | 11 +++++------ 3 files changed, 9 insertions(+), 21 deletions(-) delete mode 100644 tsconfig.cjs.json diff --git a/package.json b/package.json index cacf535..b34febe 100644 --- a/package.json +++ b/package.json @@ -3,11 +3,10 @@ "version": "0.4.0", "private": false, "license": "MIT", - "main": "lib-cjs/NMRiumWrapper.js", + "main": "lib/NMRiumWrapper.js", "module": "lib/NMRiumWrapper.js", "files": [ - "lib", - "lib-cjs" + "lib" ], "volta": { "node": "20.2.0" @@ -29,7 +28,7 @@ "test": "jest --coverage", "eslint": "eslint . --cache", "eslint-fix": "npm run eslint -- --fix", - "compile": "tsc --project tsconfig.esm.json && tsc --project tsconfig.cjs.json", + "compile": "tsc --project tsconfig.esm.json", "check-types": "tsc --project tsconfig.esm.json", "prettier": "prettier --check src", "prettier-write": "prettier --write src", @@ -61,4 +60,4 @@ "typescript": "^5.2.2", "vite": "^4.4.11" } -} +} \ No newline at end of file diff --git a/tsconfig.cjs.json b/tsconfig.cjs.json deleted file mode 100644 index 249b5f2..0000000 --- a/tsconfig.cjs.json +++ /dev/null @@ -1,10 +0,0 @@ - -{ - "extends": "./tsconfig.esm.json", - "compilerOptions": { - "outDir": "lib-cjs", - "noEmit": false, - "module": "CommonJS", - "declaration": false - } - } \ No newline at end of file diff --git a/tsconfig.json b/tsconfig.json index f3f2164..f4e0205 100644 --- a/tsconfig.json +++ b/tsconfig.json @@ -7,9 +7,7 @@ "esnext" ], "types": [ - "vite/client", - "@types/jest", - "vite-plugin-pwa/client" + "vite/client" ], "allowJs": false, "skipLibCheck": true, @@ -19,7 +17,8 @@ "noImplicitAny": false, "forceConsistentCasingInFileNames": true, "noFallthroughCasesInSwitch": true, - "module": "node16", + "moduleResolution": "Bundler", + "module": "ES2022", "resolveJsonModule": true, "isolatedModules": true, "noEmit": true, @@ -27,9 +26,9 @@ }, "include": [ "src", - "vite.config.ts", "test-e2e", - "playwright.config.ts" + "playwright.config.ts", + "vite.config.ts" ], "exclude": [ "node_modules" From dd82f1974778e811b131c4b90740091689d491c9 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Tue, 14 Nov 2023 12:11:22 +0100 Subject: [PATCH 02/19] chore: fix eslint --- .eslintignore | 1 + src/NMRiumWrapper.tsx | 4 ++-- 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/.eslintignore b/.eslintignore index 3f86bdc..731e5f2 100644 --- a/.eslintignore +++ b/.eslintignore @@ -5,3 +5,4 @@ build src/*.json vite.config.* lib +coverage diff --git a/src/NMRiumWrapper.tsx b/src/NMRiumWrapper.tsx index f7f9a69..808f95a 100644 --- a/src/NMRiumWrapper.tsx +++ b/src/NMRiumWrapper.tsx @@ -82,10 +82,10 @@ export default function NMRiumWrapper() { setDate(loadData.data); break; case 'file': - void loadSpectra({ files: loadData.data }); + loadSpectra({ files: loadData.data }); break; case 'url': - void loadSpectra({ urls: loadData.data }); + loadSpectra({ urls: loadData.data }); break; default: { From 42a38afe0a6c7ad10a394123a11fceb7e967623b Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Tue, 14 Nov 2023 10:55:06 +0100 Subject: [PATCH 03/19] chore: update dependencies --- package-lock.json | 1378 ++++++++++++++++++++++++++++++--------------- package.json | 30 +- yarn.lock | 841 +++++++++++++++++---------- 3 files changed, 1507 insertions(+), 742 deletions(-) diff --git a/package-lock.json b/package-lock.json index 05e25c6..68fe607 100644 --- a/package-lock.json +++ b/package-lock.json @@ -14,40 +14,39 @@ "nmr-load-save": "^0.21.0", "nmr-processing": "^11.2.0", "nmrium": "0.44.1-pre.1696502379", - "react-science": "^0.27.0", - "vite-plugin-pwa": "^0.16.5" + "react-science": "^0.28.1", + "vite-plugin-pwa": "^0.16.7" }, "devDependencies": { - "@babel/plugin-transform-modules-commonjs": "^7.23.0", - "@babel/preset-react": "^7.22.15", - "@babel/preset-typescript": "^7.23.0", - "@playwright/test": "^1.38.1", + "@babel/plugin-transform-modules-commonjs": "^7.23.3", + "@babel/preset-react": "^7.23.3", + "@babel/preset-typescript": "^7.23.3", + "@playwright/test": "^1.39.0", "@simbathesailor/use-what-changed": "^2.0.0", - "@types/jest": "^29.5.5", - "@types/node": "^20.8.2", - "@types/react": "^18.2.25", - "@types/react-dom": "^18.2.10", + "@types/jest": "^29.5.8", + "@types/node": "^20.9.0", + "@types/react": "^18.2.37", + "@types/react-dom": "^18.2.15", "@types/react-router-dom": "^5.3.3", - "@vitejs/plugin-react-swc": "^3.4.0", + "@vitejs/plugin-react-swc": "^3.4.1", "cross-env": "^7.0.3", - "eslint": "^8.50.0", + "eslint": "^8.53.0", "eslint-config-cheminfo-react": "^10.0.0", "eslint-config-cheminfo-typescript": "^12.0.4", "jest": "^29.7.0", - "prettier": "3.0.3", + "prettier": "3.1.0", "react": "^18.2.0", "react-dom": "^18.2.0", - "react-router-dom": "^6.16.0", + 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"https://registry.npmjs.org/vite-plugin-pwa/-/vite-plugin-pwa-0.16.5.tgz" - integrity sha512-Ahol4dwhMP2UHPQXkllSlXbihOaDFnvBIDPmAxoSZ1EObBUJGP4CMRyCyAVkIHjd6/H+//vH0DM2ON+XxHr81g== +vite-plugin-pwa@^0.16.7: + version "0.16.7" + resolved "https://registry.npmjs.org/vite-plugin-pwa/-/vite-plugin-pwa-0.16.7.tgz" + integrity sha512-4WMA5unuKlHs+koNoykeuCfTcqEGbiTRr8sVYUQMhc6tWxZpSRnv9Ojk4LKmqVhoPGHfBVCdGaMo8t9Qidkc1Q== dependencies: debug "^4.3.4" fast-glob "^3.3.1" @@ -8204,10 +8481,10 @@ vite-plugin-pwa@^0.16.5: workbox-build "^7.0.0" workbox-window "^7.0.0" -"vite@^3.1.0 || ^4.0.0", vite@^4, vite@^4.4.11: - version "4.4.11" - resolved "https://registry.npmjs.org/vite/-/vite-4.4.11.tgz" - integrity sha512-ksNZJlkcU9b0lBwAGZGGaZHCMqHsc8OpgtoYhsQ4/I2v5cnpmmmqe5pM4nv/4Hn6G/2GhTdj0DhZh2e+Er1q5A== +"vite@^3.1.0 || ^4.0.0 || ^5.0.0-0", vite@^4, vite@^4.5.0: + version "4.5.0" + resolved "https://registry.npmjs.org/vite/-/vite-4.5.0.tgz" + integrity sha512-ulr8rNLA6rkyFAlVWw2q5YJ91v098AFQ2R0PRFwPzREXOUJQPtFUG0t+/ZikhaOCDqFoDhN6/v8Sq0o4araFAw== dependencies: esbuild "^0.18.10" postcss "^8.4.27" From 48a32e8474bce87c6a25bddde93faca114a23ef6 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Tue, 14 Nov 2023 11:17:35 +0100 Subject: [PATCH 04/19] feat: prefer loading ft spectra and auto processing FID refactor: remove appendFilter utility --- package-lock.json | 120 ++++++++++++++++++++------------ package.json | 4 +- src/events/types.ts | 16 ++--- src/hooks/useLoadSpectra.ts | 17 +++-- src/utilities/appendFilters.ts | 121 --------------------------------- yarn.lock | 107 ++++++++++++++++++----------- 6 files changed, 161 insertions(+), 224 deletions(-) delete mode 100644 src/utilities/appendFilters.ts diff --git a/package-lock.json b/package-lock.json index 68fe607..a03469e 100644 --- a/package-lock.json +++ b/package-lock.json @@ -11,8 +11,8 @@ "dependencies": { "@emotion/react": "^11.11.1", "filelist-utils": "^1.10.2", - "nmr-load-save": "^0.21.0", - "nmr-processing": "^11.2.0", + "nmr-load-save": "^0.23.2", + "nmr-processing": "^11.5.0", "nmrium": "0.44.1-pre.1696502379", "react-science": "^0.28.1", "vite-plugin-pwa": "^0.16.7" @@ -5622,9 +5622,9 @@ } }, "node_modules/brukerconverter": { - "version": "6.3.0", - "resolved": "https://registry.npmjs.org/brukerconverter/-/brukerconverter-6.3.0.tgz", - "integrity": "sha512-XJPlOHJOHzguq/+m2W1VGT0XpT65ddhw98V984VAuaM3Ld8MiFgtVHaRlfb9d1wEcySLQxvaj2yRuc8xO7gxPA==", + "version": "6.3.1", + "resolved": "https://registry.npmjs.org/brukerconverter/-/brukerconverter-6.3.1.tgz", + "integrity": "sha512-ri6uQYfsoRBoTnBj7bv0Fm6vao80nm/f/ODj0acYMMqjK/YP79JmDjHSS3if5zukgWPlGVWYyShrJEIJjYeX4A==", "dependencies": { "cheminfo-types": "^1.5.0", "filelist-utils": "^1.8.0", @@ -9428,11 +9428,11 @@ } }, "node_modules/jeolconverter": { - "version": "1.0.1", - "resolved": "https://registry.npmjs.org/jeolconverter/-/jeolconverter-1.0.1.tgz", - "integrity": "sha512-AQFwFOE4aqP2KkjCJmYngs4Os0N8iroyJDTXU8R3R3UGpQeZDeNexq8lAdwVDI2PTpzWzMt/9ydz633CYeVkOA==", + "version": "1.0.2", + "resolved": "https://registry.npmjs.org/jeolconverter/-/jeolconverter-1.0.2.tgz", + "integrity": "sha512-Oqp4VioharhRkQRSc6WkXc+s42DYLOdLWV7eNi16CJbiBvoaSrFf0KQwJJ5JfbpncYRMzrsjilBFYzYTbREC6g==", "dependencies": { - "iobuffer": "^5.0.3" + "iobuffer": "^5.3.2" } }, "node_modules/jest": { @@ -11228,6 +11228,11 @@ "resolved": "https://registry.npmjs.org/lodash.merge/-/lodash.merge-4.6.2.tgz", "integrity": "sha512-0KpjqXRVvrYyCsX1swR/XTK0va6VQkQM6MNo7PqW77ByjAhoARA8EfrP1N4+KlKj8YS0ZUCtRT/YUuhyYDujIQ==" }, + "node_modules/lodash.omit": { + "version": "4.5.0", + "resolved": "https://registry.npmjs.org/lodash.omit/-/lodash.omit-4.5.0.tgz", + "integrity": "sha512-XeqSp49hNGmlkj2EJlfrQFIzQ6lXdNro9sddtQzcJY8QaoC2GO0DT7xaIokHeyM+mIT0mPMlPvkYzg2xCuHdZg==" + }, "node_modules/lodash.sortby": { "version": "4.7.0", "resolved": "https://registry.npmjs.org/lodash.sortby/-/lodash.sortby-4.7.0.tgz", @@ -11795,18 +11800,18 @@ } }, "node_modules/ml-levenberg-marquardt": { - "version": "4.1.2", - "resolved": "https://registry.npmjs.org/ml-levenberg-marquardt/-/ml-levenberg-marquardt-4.1.2.tgz", - "integrity": "sha512-bSs5HdflwpciC9H77LeobJf8Lss7zxKJTCbbSqUjjwFCjNo2ekiarLURlCiGf+KUKcgpz8HaETa9XCFQNdBPmA==", + "version": "4.1.3", + "resolved": "https://registry.npmjs.org/ml-levenberg-marquardt/-/ml-levenberg-marquardt-4.1.3.tgz", + "integrity": "sha512-CuR8mg1IIgb5IuDkdJBpnHmx+r6FpRDDPvYhAGq+4WVMLw/lu44P6PniyCrdvk1PNBmxVXN/LwBDMpQ/VaWhgA==", "dependencies": { "is-any-array": "^2.0.0", "ml-matrix": "^6.10.4" } }, "node_modules/ml-matrix": { - "version": "6.10.5", - "resolved": "https://registry.npmjs.org/ml-matrix/-/ml-matrix-6.10.5.tgz", - "integrity": "sha512-3RNGo8Ls3JR/f+8t0pNrvoDW6SmLNDBpQN6FzkFvNx7FJ3GL7Ic1kdxlDYavU3pRwxJFgBrRwZ0FwE+JjX+tvQ==", + "version": "6.10.8", + "resolved": "https://registry.npmjs.org/ml-matrix/-/ml-matrix-6.10.8.tgz", + "integrity": "sha512-AOWniClvQMbGx2V0mqzOScINLe+PjAjpjTN3zYRG7gV5Zp29fu9b2E0PfTdnupN03USOQMvkjT9/8yB4hEEahg==", "dependencies": { "is-any-array": "^2.0.1", "ml-array-rescale": "^1.3.7" @@ -12102,63 +12107,62 @@ } }, "node_modules/nmr-load-save": { - "version": "0.21.0", - "resolved": "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.21.0.tgz", - "integrity": "sha512-NePybxt/7G63cpnCuaMHsQSjfh61Ny8kPB1bpiONF9/ayOUfRgtvM0n5+M18arbQZ3x147nZR66JzLVduX+H8g==", + "version": "0.23.2", + "resolved": "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.2.tgz", + "integrity": "sha512-QSBYdjENOAhznJoZWYzn8aLQc3Df24xSWzwn/maK5dHd015XKy35p4+O5u2KmGW6lmyF8KysWemjmiKHUXdv7Q==", "dependencies": { "@lukeed/uuid": "^2.0.1", "@types/lodash.merge": "^4.6.7", - "brukerconverter": "^6.3.0", + "brukerconverter": "^6.3.1", "cheminfo-types": "^1.7.2", "convert-to-jcamp": "^5.4.9", - "filelist-utils": "^1.10.1", + "filelist-utils": "^1.10.2", "gyromagnetic-ratio": "^1.0.0", "is-any-array": "^2.0.1", - "jcampconverter": "^9.1.1", - "jeolconverter": "^1.0.1", + "jcampconverter": "^9.2.2", + "jeolconverter": "^1.0.2", "lodash.merge": "^4.6.2", - "ml-spectra-processing": "^12.5.0", + "ml-spectra-processing": "^12.5.1", "nmr-correlation": "^2.3.3", - "nmr-processing": "^11.0.1", - "nmredata": "^0.9.5", - "openchemlib": "^8.5.0", - "openchemlib-utils": "^5.2.0", + "nmr-processing": "^11.5.0", + "nmredata": "^0.9.7", + "openchemlib": "^8.7.0", + "openchemlib-utils": "^5.4.0", "sdf-parser": "^6.0.1", - "varian-converter": "^0.3.2" + "varian-converter": "^0.3.3" } }, "node_modules/nmr-processing": { - "version": "11.2.0", - "resolved": "https://registry.npmjs.org/nmr-processing/-/nmr-processing-11.2.0.tgz", - "integrity": "sha512-BQhcctNII/xCr9YFt9ZGa7BilZEUIEKgxzrOZQWATIe4JKLaHYkA+boP91kpLLXbn3Yi3OrQqzdvv5+cvnRgqw==", + "version": "11.5.0", + "resolved": "https://registry.npmjs.org/nmr-processing/-/nmr-processing-11.5.0.tgz", + "integrity": "sha512-WnrHPd6aYmiBW2a2bk743Id6XD9UJ3uLZSL7HDYrFhfjGzAiNK2d+SMn8fm7PmuKGV7Q6SChxb5Zdthgqo//dQ==", "dependencies": { "@lukeed/uuid": "^2.0.1", - "@types/lodash": "^4.14.198", "binary-search": "^1.3.6", "cross-fetch": "^4.0.0", "form-data": "^4.0.0", "gyromagnetic-ratio": "^1.0.0", "is-any-array": "^2.0.1", "linear-sum-assignment": "^1.0.5", - "lodash": "^4.17.21", + "lodash.omit": "^4.5.0", "ml-airpls": "^1.0.2", "ml-baseline-correction-regression": "^1.0.2", "ml-direct": "^0.1.3", "ml-gsd": "^12.1.3", "ml-hclust": "^3.1.0", - "ml-levenberg-marquardt": "^4.1.2", - "ml-matrix": "^6.10.4", + "ml-levenberg-marquardt": "^4.1.3", + "ml-matrix": "^6.10.7", "ml-matrix-convolution": "^1.0.0", "ml-matrix-peaks-finder": "^1.0.0", "ml-peak-shape-generator": "^4.1.2", "ml-signal-processing": "^1.0.3", "ml-simple-clustering": "^0.1.0", "ml-sparse-matrix": "^2.1.0", - "ml-spectra-processing": "^12.5.1", + "ml-spectra-processing": "^12.6.0", "ml-tree-set": "^0.1.1", "nmr-correlation": "^2.3.3", "numeral": "^2.0.6", - "openchemlib-utils": "^5.2.0", + "openchemlib-utils": "^5.4.0", "spectrum-generator": "^8.0.8" } }, @@ -12551,6 +12555,32 @@ "iobuffer": "^5.2.1" } }, + "node_modules/nmrium/node_modules/nmr-load-save": { + "version": "0.21.0", + "resolved": "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.21.0.tgz", + "integrity": "sha512-NePybxt/7G63cpnCuaMHsQSjfh61Ny8kPB1bpiONF9/ayOUfRgtvM0n5+M18arbQZ3x147nZR66JzLVduX+H8g==", + "dependencies": { + "@lukeed/uuid": "^2.0.1", + "@types/lodash.merge": "^4.6.7", + "brukerconverter": "^6.3.0", + "cheminfo-types": "^1.7.2", + "convert-to-jcamp": "^5.4.9", + "filelist-utils": "^1.10.1", + "gyromagnetic-ratio": "^1.0.0", + "is-any-array": "^2.0.1", + "jcampconverter": "^9.1.1", + "jeolconverter": "^1.0.1", + "lodash.merge": "^4.6.2", + "ml-spectra-processing": "^12.5.0", + "nmr-correlation": "^2.3.3", + "nmr-processing": "^11.0.1", + "nmredata": "^0.9.5", + "openchemlib": "^8.5.0", + "openchemlib-utils": "^5.2.0", + "sdf-parser": "^6.0.1", + "varian-converter": "^0.3.2" + } + }, "node_modules/nmrium/node_modules/nucleotide": { "version": "2.1.1", "resolved": "https://registry.npmjs.org/nucleotide/-/nucleotide-2.1.1.tgz", @@ -12904,9 +12934,9 @@ } }, "node_modules/openchemlib": { - "version": "8.5.0", - "resolved": "https://registry.npmjs.org/openchemlib/-/openchemlib-8.5.0.tgz", - "integrity": "sha512-g9i7JfZRsEZSSxDYoBwd9tGwIp7ZAHTbCJMKphmLApY86hyObr0pOtocIPqsT14bmFJ2oM2A3F73wiuRKOwROg==" + "version": "8.7.1", + "resolved": "https://registry.npmjs.org/openchemlib/-/openchemlib-8.7.1.tgz", + "integrity": "sha512-skzgPw0F5ZxLe3y0Td4uyegNi8N2P3jj9EumIdki8eGzs4QhBtpOibkejcy9lLcItsnxwrO1se5cuaJWRB5MiQ==" }, "node_modules/openchemlib-utils": { "version": "5.4.0", @@ -15583,13 +15613,13 @@ } }, "node_modules/varian-converter": { - "version": "0.3.2", - "resolved": "https://registry.npmjs.org/varian-converter/-/varian-converter-0.3.2.tgz", - "integrity": "sha512-+MWPYpwF98R0KzBX0gjGRspVnuP6U8yK+5n+vFhtIa4vCmSmxnB2obRnU6/XDrF6gZc2ojQrMR2k+RtqHzuDfg==", + "version": "0.3.3", + "resolved": "https://registry.npmjs.org/varian-converter/-/varian-converter-0.3.3.tgz", + "integrity": "sha512-pu2WVuXeqtoy/RC1XIga6E1A4/4m+XhQSVzFdPjxlX2ih53qpHV3fl/g/UVvvJ9m9GQdOExEGKIK3JG4up8Upg==", "dependencies": { - "filelist-utils": "^1.8.0", + "filelist-utils": "^1.10.2", "iobuffer": "^5.3.2", - "ml-spectra-processing": "^12.0.0" + "ml-spectra-processing": "^12.5.1" } }, "node_modules/vary": { diff --git a/package.json b/package.json index 7ee8329..1d74a6b 100644 --- a/package.json +++ b/package.json @@ -14,8 +14,8 @@ "dependencies": { "@emotion/react": "^11.11.1", "filelist-utils": "^1.10.2", - "nmr-load-save": "^0.21.0", - "nmr-processing": "^11.2.0", + "nmr-load-save": "^0.23.2", + "nmr-processing": "^11.5.0", "nmrium": "0.44.1-pre.1696502379", "react-science": "^0.28.1", "vite-plugin-pwa": "^0.16.7" diff --git a/src/events/types.ts b/src/events/types.ts index ff0b699..e93036e 100644 --- a/src/events/types.ts +++ b/src/events/types.ts @@ -40,12 +40,12 @@ interface DataChange { type EventData = T extends 'data-change' ? DataChange : T extends 'load' - ? LoadData - : T extends 'action-request' - ? ActionRequest - : T extends 'action-response' - ? ActionResponse - : T extends 'error' - ? Error - : never; + ? LoadData + : T extends 'action-request' + ? ActionRequest + : T extends 'action-response' + ? ActionResponse + : T extends 'error' + ? Error + : never; export type { EventType, EventData }; diff --git a/src/hooks/useLoadSpectra.ts b/src/hooks/useLoadSpectra.ts index def625a..08c6d29 100644 --- a/src/hooks/useLoadSpectra.ts +++ b/src/hooks/useLoadSpectra.ts @@ -4,20 +4,25 @@ import { readFromWebSource, NmriumState, CURRENT_EXPORT_VERSION, + ParsingOptions, } from 'nmr-load-save'; import { useCallback, useMemo, useState } from 'react'; import events from '../events'; -import { appendFilters } from '../utilities/appendFilters'; import { getFileNameFromURL } from '../utilities/getFileNameFromURL'; import { isArrayOfString } from '../utilities/isArrayOfString'; +const PARSING_OPTIONS: Partial = { + onLoadProcessing: { autoProcessing: true }, + sourceSelector: { general: { dataSelection: 'preferFT' } }, +}; + async function loadSpectraFromFiles(files: File[]) { const fileCollection = await fileCollectionFromFiles(files); const { nmriumState: { data }, - } = await read(fileCollection); + } = await read(fileCollection, PARSING_OPTIONS); return data; } @@ -33,7 +38,7 @@ async function loadSpectraFromURLs(urls: string[]) { return { relativePath: path, baseURL: refURL.origin }; }, []); - const { data } = await readFromWebSource({ entries }); + const { data } = await readFromWebSource({ entries }, PARSING_OPTIONS); return data; } @@ -50,18 +55,12 @@ export function useLoadSpectra() { if ('urls' in options) { if (isArrayOfString(options.urls)) { const result = await loadSpectraFromURLs(options.urls); - if (result?.spectra) { - appendFilters(result?.spectra); - } setData(result as NMRiumData); } else { throw new Error('The input must be a valid urls array of string[]'); } } else if ('files' in options) { const result = await loadSpectraFromFiles(options.files); - if (result?.spectra) { - appendFilters(result?.spectra); - } setData(result as NMRiumData); } } catch (error: unknown) { diff --git a/src/utilities/appendFilters.ts b/src/utilities/appendFilters.ts deleted file mode 100644 index 66b2dfc..0000000 --- a/src/utilities/appendFilters.ts +++ /dev/null @@ -1,121 +0,0 @@ -import { Spectrum } from 'nmr-load-save'; -import { BaseFilter, Filter, Filters, Nucleus } from 'nmr-processing'; - -const ConfigOnLoadProcessing: Partial> = { - '1H': [ - { - name: Filters.digitalFilter.id, - label: Filters.digitalFilter.name, - value: {}, - flag: true, - }, - { - name: Filters.apodization.id, - label: Filters.apodization.name, - value: {}, - flag: false, - }, - { - name: Filters.zeroFilling.id, - label: Filters.zeroFilling.name, - value: {}, - flag: true, - }, - { - name: Filters.fft.id, - label: Filters.fft.name, - value: {}, - flag: true, - }, - { - name: Filters.phaseCorrection.id, - label: Filters.phaseCorrection.name, - - value: {}, - flag: true, - }, - ], - '13C': [ - { - name: Filters.digitalFilter.id, - label: Filters.digitalFilter.name, - - value: {}, - flag: true, - }, - { - name: Filters.apodization.id, - label: Filters.apodization.name, - value: {}, - flag: true, - }, - { - name: Filters.zeroFilling.id, - label: Filters.zeroFilling.name, - - value: {}, - flag: true, - }, - { - name: Filters.fft.id, - label: Filters.fft.name, - - value: {}, - flag: true, - }, - { - name: Filters.phaseCorrection.id, - label: Filters.phaseCorrection.name, - - value: {}, - flag: true, - }, - ], -}; - -function nucleusToString(nucleus: string | string[]) { - return typeof nucleus === 'string' ? nucleus : nucleus.join(','); -} - -interface filterFiltersOptions { - digitalFilter?: number; -} - -function mapFilters( - onLoadfilters: BaseFilter[], - options: filterFiltersOptions, -) { - const { digitalFilter } = options; - const filters: BaseFilter[] = []; - - for (let filter of onLoadfilters) { - if ( - (!digitalFilter && filter.name === Filters.digitalFilter.id) || - !filter.flag - ) { - continue; - } - const isDeleteAllow = !(filter.name === Filters.digitalFilter.id); - filter = { ...filter, isDeleteAllow }; - filters.push(filter); - } - return filters; -} - -export function appendFilters(spectra: Spectrum[]) { - for (const spectrum of spectra) { - const { - info: { nucleus, isFid, digitalFilter }, - filters, - } = spectrum; - const hasFilters = filters.length > 0; - if (isFid && !hasFilters) { - const n = nucleusToString(nucleus); - const onLoadfilters: BaseFilter[] = ConfigOnLoadProcessing?.[n] || []; - if (onLoadfilters.length > 0) { - const autofilters = mapFilters(onLoadfilters, { digitalFilter }); - spectrum.filters = autofilters as Filter[]; - } - } - } -} diff --git a/yarn.lock b/yarn.lock index f3d74d9..51aa567 100644 --- a/yarn.lock +++ b/yarn.lock @@ -2197,7 +2197,7 @@ dependencies: "@types/lodash" "*" -"@types/lodash@*", "@types/lodash@^4.14.198": +"@types/lodash@*": version "4.14.199" resolved "https://registry.npmjs.org/@types/lodash/-/lodash-4.14.199.tgz" integrity sha512-Vrjz5N5Ia4SEzWWgIVwnHNEnb1UE1XMkvY5DGXrAeOGE9imk0hgTHh5GyDjLDJi9OTCn9oo9dXH1uToK1VRfrg== @@ -2832,10 +2832,10 @@ browserslist@^4.21.9, "browserslist@>= 4.21.0": node-releases "^2.0.13" update-browserslist-db "^1.0.11" -brukerconverter@^6.3.0: - version "6.3.0" - resolved "https://registry.npmjs.org/brukerconverter/-/brukerconverter-6.3.0.tgz" - integrity sha512-XJPlOHJOHzguq/+m2W1VGT0XpT65ddhw98V984VAuaM3Ld8MiFgtVHaRlfb9d1wEcySLQxvaj2yRuc8xO7gxPA== +brukerconverter@^6.3.0, brukerconverter@^6.3.1: + version "6.3.1" + resolved "https://registry.npmjs.org/brukerconverter/-/brukerconverter-6.3.1.tgz" + integrity sha512-ri6uQYfsoRBoTnBj7bv0Fm6vao80nm/f/ODj0acYMMqjK/YP79JmDjHSS3if5zukgWPlGVWYyShrJEIJjYeX4A== dependencies: cheminfo-types "^1.5.0" filelist-utils "^1.8.0" @@ -4734,7 +4734,7 @@ invariant@^2.2.4: dependencies: loose-envify "^1.0.0" -iobuffer@^5.0.3, iobuffer@^5.2.1, iobuffer@^5.3.2: +iobuffer@^5.2.1, iobuffer@^5.3.2: version "5.3.2" resolved "https://registry.npmjs.org/iobuffer/-/iobuffer-5.3.2.tgz" integrity sha512-kO3CjNfLZ9t+tHxAMd+Xk4v3D/31E91rMs1dHrm7ikEQrlZ8mLDbQ4z3tZfDM48zOkReas2jx8MWSAmN9+c8Fw== @@ -5097,12 +5097,12 @@ jcampconverter@^9.1.0, jcampconverter@^9.1.1, jcampconverter@^9.2.2: gyromagnetic-ratio "^1.0.0" ml-array-median "^1.1.6" -jeolconverter@^1.0.1: - version "1.0.1" - resolved "https://registry.npmjs.org/jeolconverter/-/jeolconverter-1.0.1.tgz" - integrity sha512-AQFwFOE4aqP2KkjCJmYngs4Os0N8iroyJDTXU8R3R3UGpQeZDeNexq8lAdwVDI2PTpzWzMt/9ydz633CYeVkOA== +jeolconverter@^1.0.1, jeolconverter@^1.0.2: + version "1.0.2" + resolved "https://registry.npmjs.org/jeolconverter/-/jeolconverter-1.0.2.tgz" + integrity sha512-Oqp4VioharhRkQRSc6WkXc+s42DYLOdLWV7eNi16CJbiBvoaSrFf0KQwJJ5JfbpncYRMzrsjilBFYzYTbREC6g== dependencies: - iobuffer "^5.0.3" + iobuffer "^5.3.2" jest-changed-files@^29.7.0: version "29.7.0" @@ -5661,6 +5661,11 @@ lodash.merge@^4.6.2: resolved "https://registry.npmjs.org/lodash.merge/-/lodash.merge-4.6.2.tgz" integrity sha512-0KpjqXRVvrYyCsX1swR/XTK0va6VQkQM6MNo7PqW77ByjAhoARA8EfrP1N4+KlKj8YS0ZUCtRT/YUuhyYDujIQ== +lodash.omit@^4.5.0: + version "4.5.0" + resolved "https://registry.npmjs.org/lodash.omit/-/lodash.omit-4.5.0.tgz" + integrity sha512-XeqSp49hNGmlkj2EJlfrQFIzQ6lXdNro9sddtQzcJY8QaoC2GO0DT7xaIokHeyM+mIT0mPMlPvkYzg2xCuHdZg== + lodash.sortby@^4.7.0: version "4.7.0" resolved "https://registry.npmjs.org/lodash.sortby/-/lodash.sortby-4.7.0.tgz" @@ -6115,10 +6120,10 @@ ml-hclust@^3.1.0: ml-distance-matrix "^2.0.1" ml-matrix "^6.8.0" -ml-levenberg-marquardt@^4.1.0, ml-levenberg-marquardt@^4.1.2: - version "4.1.2" - resolved "https://registry.npmjs.org/ml-levenberg-marquardt/-/ml-levenberg-marquardt-4.1.2.tgz" - integrity sha512-bSs5HdflwpciC9H77LeobJf8Lss7zxKJTCbbSqUjjwFCjNo2ekiarLURlCiGf+KUKcgpz8HaETa9XCFQNdBPmA== +ml-levenberg-marquardt@^4.1.0, ml-levenberg-marquardt@^4.1.3: + version "4.1.3" + resolved "https://registry.npmjs.org/ml-levenberg-marquardt/-/ml-levenberg-marquardt-4.1.3.tgz" + integrity sha512-CuR8mg1IIgb5IuDkdJBpnHmx+r6FpRDDPvYhAGq+4WVMLw/lu44P6PniyCrdvk1PNBmxVXN/LwBDMpQ/VaWhgA== dependencies: is-any-array "^2.0.0" ml-matrix "^6.10.4" @@ -6138,10 +6143,10 @@ ml-matrix-peaks-finder@^1.0.0: ml-disjoint-set "^1.0.0" ml-matrix-convolution "^1.0.0" -ml-matrix@^6.10.4, ml-matrix@^6.10.5, ml-matrix@^6.8.0: - version "6.10.5" - resolved "https://registry.npmjs.org/ml-matrix/-/ml-matrix-6.10.5.tgz" - integrity sha512-3RNGo8Ls3JR/f+8t0pNrvoDW6SmLNDBpQN6FzkFvNx7FJ3GL7Ic1kdxlDYavU3pRwxJFgBrRwZ0FwE+JjX+tvQ== +ml-matrix@^6.10.4, ml-matrix@^6.10.5, ml-matrix@^6.10.7, ml-matrix@^6.8.0: + version "6.10.8" + resolved "https://registry.npmjs.org/ml-matrix/-/ml-matrix-6.10.8.tgz" + integrity sha512-AOWniClvQMbGx2V0mqzOScINLe+PjAjpjTN3zYRG7gV5Zp29fu9b2E0PfTdnupN03USOQMvkjT9/8yB4hEEahg== dependencies: is-any-array "^2.0.1" ml-array-rescale "^1.3.7" @@ -6413,38 +6418,62 @@ nmr-load-save@^0.21.0: sdf-parser "^6.0.1" varian-converter "^0.3.2" -nmr-processing@^11.0.1, nmr-processing@^11.1.1, nmr-processing@^11.2.0: - version "11.2.0" - resolved "https://registry.npmjs.org/nmr-processing/-/nmr-processing-11.2.0.tgz" - integrity sha512-BQhcctNII/xCr9YFt9ZGa7BilZEUIEKgxzrOZQWATIe4JKLaHYkA+boP91kpLLXbn3Yi3OrQqzdvv5+cvnRgqw== +nmr-load-save@^0.23.2: + version "0.23.2" + resolved "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.2.tgz" + integrity sha512-QSBYdjENOAhznJoZWYzn8aLQc3Df24xSWzwn/maK5dHd015XKy35p4+O5u2KmGW6lmyF8KysWemjmiKHUXdv7Q== + dependencies: + "@lukeed/uuid" "^2.0.1" + "@types/lodash.merge" "^4.6.7" + brukerconverter "^6.3.1" + cheminfo-types "^1.7.2" + convert-to-jcamp "^5.4.9" + filelist-utils "^1.10.2" + gyromagnetic-ratio "^1.0.0" + is-any-array "^2.0.1" + jcampconverter "^9.2.2" + jeolconverter "^1.0.2" + lodash.merge "^4.6.2" + ml-spectra-processing "^12.5.1" + nmr-correlation "^2.3.3" + nmr-processing "^11.5.0" + nmredata "^0.9.7" + openchemlib "^8.7.0" + openchemlib-utils "^5.4.0" + sdf-parser "^6.0.1" + varian-converter "^0.3.3" + +nmr-processing@^11.0.1, nmr-processing@^11.1.1, nmr-processing@^11.5.0: + version "11.5.0" + resolved "https://registry.npmjs.org/nmr-processing/-/nmr-processing-11.5.0.tgz" + integrity sha512-WnrHPd6aYmiBW2a2bk743Id6XD9UJ3uLZSL7HDYrFhfjGzAiNK2d+SMn8fm7PmuKGV7Q6SChxb5Zdthgqo//dQ== dependencies: "@lukeed/uuid" "^2.0.1" - "@types/lodash" "^4.14.198" binary-search "^1.3.6" cross-fetch "^4.0.0" form-data "^4.0.0" gyromagnetic-ratio "^1.0.0" is-any-array "^2.0.1" linear-sum-assignment "^1.0.5" - lodash "^4.17.21" + lodash.omit "^4.5.0" ml-airpls "^1.0.2" ml-baseline-correction-regression "^1.0.2" ml-direct "^0.1.3" ml-gsd "^12.1.3" ml-hclust "^3.1.0" - ml-levenberg-marquardt "^4.1.2" - ml-matrix "^6.10.4" + ml-levenberg-marquardt "^4.1.3" + ml-matrix "^6.10.7" ml-matrix-convolution "^1.0.0" ml-matrix-peaks-finder "^1.0.0" ml-peak-shape-generator "^4.1.2" ml-signal-processing "^1.0.3" ml-simple-clustering "^0.1.0" ml-sparse-matrix "^2.1.0" - ml-spectra-processing "^12.5.1" + ml-spectra-processing "^12.6.0" ml-tree-set "^0.1.1" nmr-correlation "^2.3.3" numeral "^2.0.6" - openchemlib-utils "^5.2.0" + openchemlib-utils "^5.4.0" spectrum-generator "^8.0.8" nmredata@^0.9.5, nmredata@^0.9.7: @@ -6711,10 +6740,10 @@ openchemlib-utils@^5.0.2, openchemlib-utils@^5.2.0, openchemlib-utils@^5.3.0, op papaparse "^5.4.1" sdf-parser "^6.0.1" -openchemlib@^8.0.1, openchemlib@^8.5.0, openchemlib@>=8, openchemlib@>=8.3.0, openchemlib@>=8.5.0: - version "8.5.0" - resolved "https://registry.npmjs.org/openchemlib/-/openchemlib-8.5.0.tgz" - integrity sha512-g9i7JfZRsEZSSxDYoBwd9tGwIp7ZAHTbCJMKphmLApY86hyObr0pOtocIPqsT14bmFJ2oM2A3F73wiuRKOwROg== +openchemlib@^8.0.1, openchemlib@^8.5.0, openchemlib@^8.7.0, openchemlib@>=8, openchemlib@>=8.3.0, openchemlib@>=8.5.0: + version "8.7.1" + resolved "https://registry.npmjs.org/openchemlib/-/openchemlib-8.7.1.tgz" + integrity sha512-skzgPw0F5ZxLe3y0Td4uyegNi8N2P3jj9EumIdki8eGzs4QhBtpOibkejcy9lLcItsnxwrO1se5cuaJWRB5MiQ== optionator@^0.9.3: version "0.9.3" @@ -8456,14 +8485,14 @@ validate-npm-package-license@^3.0.1: spdx-correct "^3.0.0" spdx-expression-parse "^3.0.0" -varian-converter@^0.3.2: - version "0.3.2" - resolved "https://registry.npmjs.org/varian-converter/-/varian-converter-0.3.2.tgz" - integrity sha512-+MWPYpwF98R0KzBX0gjGRspVnuP6U8yK+5n+vFhtIa4vCmSmxnB2obRnU6/XDrF6gZc2ojQrMR2k+RtqHzuDfg== +varian-converter@^0.3.2, varian-converter@^0.3.3: + version "0.3.3" + resolved "https://registry.npmjs.org/varian-converter/-/varian-converter-0.3.3.tgz" + integrity sha512-pu2WVuXeqtoy/RC1XIga6E1A4/4m+XhQSVzFdPjxlX2ih53qpHV3fl/g/UVvvJ9m9GQdOExEGKIK3JG4up8Upg== dependencies: - filelist-utils "^1.8.0" + filelist-utils "^1.10.2" iobuffer "^5.3.2" - ml-spectra-processing "^12.0.0" + ml-spectra-processing "^12.5.1" vary@~1.1.2: version "1.1.2" From 219f89db0d7d7cef5890fc2785c1784db37a0b17 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Tue, 14 Nov 2023 11:20:54 +0100 Subject: [PATCH 05/19] refactor: remove 'offline mode ready' alert --- src/index.tsx | 4 ---- 1 file changed, 4 deletions(-) diff --git a/src/index.tsx b/src/index.tsx index 796522a..24dd822 100644 --- a/src/index.tsx +++ b/src/index.tsx @@ -21,10 +21,6 @@ const updateSW = registerSW({ void updateSW(true); } }, - onOfflineReady() { - // eslint-disable-next-line no-alert - window.alert('NMRium wrapper is ready to run in offline mode'); - }, }); const root = createRoot(rootContainer); From 62b4c1e2c10d96f956a334bb6c321a22ceed8067 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Tue, 14 Nov 2023 11:43:37 +0100 Subject: [PATCH 06/19] feat: update nmrium to pre-release version 0.44.1-pre.1699958485 --- package-lock.json | 96 +++++++++++---------------------------- package.json | 2 +- yarn.lock | 111 +++++++++++++++++----------------------------- 3 files changed, 68 insertions(+), 141 deletions(-) diff --git a/package-lock.json b/package-lock.json index a03469e..21345ac 100644 --- a/package-lock.json +++ b/package-lock.json @@ -13,7 +13,7 @@ "filelist-utils": "^1.10.2", "nmr-load-save": "^0.23.2", "nmr-processing": "^11.5.0", - "nmrium": "0.44.1-pre.1696502379", + "nmrium": "^0.44.1-pre.1699958485", "react-science": "^0.28.1", "vite-plugin-pwa": "^0.16.7" }, @@ -1766,31 +1766,26 @@ "dev": true }, "node_modules/@blueprintjs/colors": { - "version": "5.0.2", - "resolved": "https://registry.npmjs.org/@blueprintjs/colors/-/colors-5.0.2.tgz", - "integrity": "sha512-icP/d5sheRT8ReRy6jf6WunvLmDQWXFjFU97/xKsqF5SMOWIYC92I0b/705dmc+z5lAXntkU67pCMRuNWSZ9lQ==", + "version": "5.0.5", + "resolved": "https://registry.npmjs.org/@blueprintjs/colors/-/colors-5.0.5.tgz", + "integrity": "sha512-UcCsBxE8GTF6GW1oHBb+cuhPpKiJFWbIRkemwcRkp9HvXXQHxEaXlFFC6jAx5pf3JmRwde5/ck3r+lJFP1YqzA==", "dependencies": { - "tslib": "~2.5.0" + "tslib": "~2.6.2" } }, - "node_modules/@blueprintjs/colors/node_modules/tslib": { - "version": "2.5.3", - "resolved": "https://registry.npmjs.org/tslib/-/tslib-2.5.3.tgz", - "integrity": "sha512-mSxlJJwl3BMEQCUNnxXBU9jP4JBktcEGhURcPR6VQVlnP0FdDEsIaz0C35dXNGLyRfrATNofF0F5p2KPxQgB+w==" - }, "node_modules/@blueprintjs/core": { - "version": "5.3.3", - "resolved": "https://registry.npmjs.org/@blueprintjs/core/-/core-5.3.3.tgz", - "integrity": "sha512-BbK19zwofASYNLkTtMPffkHNAWshBROFXzwFZEs0QlIZauEsGuJHvRf3z+uZu5syrEA+LBHTrTMujdzOmD5VXQ==", + "version": "5.6.0", + "resolved": "https://registry.npmjs.org/@blueprintjs/core/-/core-5.6.0.tgz", + "integrity": "sha512-NtQL/iu8P8DhHUCWCstc9Ps+JkRZCPRJ2ZoxubOt21pfxN50CN0sKHkDETHUQyZ73RviveVIIK+m32mT5Wwdqg==", "dependencies": { - "@blueprintjs/colors": "^5.0.2", - "@blueprintjs/icons": "^5.1.8", + "@blueprintjs/colors": "^5.0.5", + "@blueprintjs/icons": "^5.3.0", "@popperjs/core": "^2.11.7", "classnames": "^2.3.1", "normalize.css": "^8.0.1", "react-popper": "^2.3.0", "react-transition-group": "^4.4.5", - "tslib": "~2.5.0" + "tslib": "~2.6.2" }, "bin": { "upgrade-blueprint-2.0.0-rename": "scripts/upgrade-blueprint-2.0.0-rename.sh", @@ -1807,19 +1802,14 @@ } } }, - "node_modules/@blueprintjs/core/node_modules/tslib": { - "version": "2.5.3", - "resolved": "https://registry.npmjs.org/tslib/-/tslib-2.5.3.tgz", - "integrity": "sha512-mSxlJJwl3BMEQCUNnxXBU9jP4JBktcEGhURcPR6VQVlnP0FdDEsIaz0C35dXNGLyRfrATNofF0F5p2KPxQgB+w==" - }, "node_modules/@blueprintjs/icons": { - "version": "5.1.8", - "resolved": "https://registry.npmjs.org/@blueprintjs/icons/-/icons-5.1.8.tgz", - "integrity": "sha512-rEYToww69A3s8MhQ13e0vMumg5BNyVowS/raGJauIrTtUVrcI2SiuBa++TmKnRzQ6fI6y0K53tC1u8G4OMi1WA==", + "version": "5.3.0", + "resolved": "https://registry.npmjs.org/@blueprintjs/icons/-/icons-5.3.0.tgz", + "integrity": "sha512-PGZHbWZ41b/SDOENlZQE1pAab4eluzf/hZ6sHB5nPrQNJuGNr94yaPp6u//Tu24iqVFFP20Soi3+ckhf/o3V/g==", "dependencies": { "change-case": "^4.1.2", "classnames": "^2.3.1", - "tslib": "~2.5.0" + "tslib": "~2.6.2" }, "peerDependencies": { "@types/react": "^16.14.32 || 17 || 18", @@ -1832,11 +1822,6 @@ } } }, - "node_modules/@blueprintjs/icons/node_modules/tslib": { - "version": "2.5.3", - "resolved": "https://registry.npmjs.org/tslib/-/tslib-2.5.3.tgz", - "integrity": "sha512-mSxlJJwl3BMEQCUNnxXBU9jP4JBktcEGhURcPR6VQVlnP0FdDEsIaz0C35dXNGLyRfrATNofF0F5p2KPxQgB+w==" - }, "node_modules/@emotion/babel-plugin": { "version": "11.11.0", "resolved": "https://registry.npmjs.org/@emotion/babel-plugin/-/babel-plugin-11.11.0.tgz", @@ -12178,11 +12163,11 @@ } }, "node_modules/nmrium": { - "version": "0.44.1-pre.1696502379", - "resolved": "https://registry.npmjs.org/nmrium/-/nmrium-0.44.1-pre.1696502379.tgz", - "integrity": "sha512-b8hqUzBNq2ECtpg2j6/k439BnQdjPO/5aWiTRJYzIXwBbAqgbNLHGQBnHDEqbfbFBHzi4I81eIrHLPaBlLvFHA==", + "version": "0.44.1-pre.1699958485", + "resolved": "https://registry.npmjs.org/nmrium/-/nmrium-0.44.1-pre.1699958485.tgz", + "integrity": "sha512-semMZuP6+OhWriKDN9eN0gF73clPd4C1IsBhVGf6Y3cvmbhxZ/YKVOiC9/7T2nHqRB08vnH1T/lY4DGF8Wf4eg==", "dependencies": { - "@blueprintjs/core": "^5.3.3", + "@blueprintjs/core": "^5.6.0", "@emotion/react": "^11.11.1", "@emotion/styled": "^11.11.0", "@lukeed/uuid": "^2.0.1", @@ -12196,10 +12181,9 @@ "file-saver": "^2.0.5", "filelist-utils": "^1.10.2", "formik": "^2.4.5", - "immer": "^10.0.2", + "immer": "^10.0.3", "jszip": "^3.10.1", "lodash": "^4.17.21", - "ml-airpls": "^1.0.2", "ml-array-max": "^1.2.4", "ml-array-mean": "^1.1.6", "ml-array-median": "^1.1.6", @@ -12207,17 +12191,17 @@ "ml-baseline-correction-regression": "^1.0.2", "ml-conrec": "^5.0.2", "ml-gsd": "^12.1.3", - "ml-matrix": "^6.10.5", - "ml-spectra-processing": "^12.5.1", + "ml-matrix": "^6.10.8", + "ml-spectra-processing": "^12.6.0", "ml-stat": "^1.3.3", "multiplet-analysis": "^2.1.2", "nmr-correlation": "^2.3.3", - "nmr-load-save": "^0.21.0", - "nmr-processing": "^11.1.1", + "nmr-load-save": "^0.23.2", + "nmr-processing": "^11.5.0", "nmredata": "^0.9.7", "numeral": "^2.0.6", - "openchemlib": "^8.5.0", - "openchemlib-utils": "^5.3.0", + "openchemlib": "^8.7.1", + "openchemlib-utils": "^5.4.0", "papaparse": "^5.4.1", "re-resizable": "6.9.11", "react-d3-utils": "^1.0.0", @@ -12236,7 +12220,7 @@ "react-transition-group": "^4.4.5", "react-use": "^17.4.0", "smart-array-filter": "^4.0.2", - "yup": "^1.3.1" + "yup": "^1.3.2" }, "peerDependencies": { "react": ">=18.0.0", @@ -12555,32 +12539,6 @@ "iobuffer": "^5.2.1" } }, - "node_modules/nmrium/node_modules/nmr-load-save": { - "version": "0.21.0", - "resolved": "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.21.0.tgz", - "integrity": "sha512-NePybxt/7G63cpnCuaMHsQSjfh61Ny8kPB1bpiONF9/ayOUfRgtvM0n5+M18arbQZ3x147nZR66JzLVduX+H8g==", - "dependencies": { - "@lukeed/uuid": "^2.0.1", - "@types/lodash.merge": "^4.6.7", - "brukerconverter": "^6.3.0", - "cheminfo-types": "^1.7.2", - "convert-to-jcamp": "^5.4.9", - "filelist-utils": "^1.10.1", - "gyromagnetic-ratio": "^1.0.0", - "is-any-array": "^2.0.1", - "jcampconverter": "^9.1.1", - "jeolconverter": "^1.0.1", - "lodash.merge": "^4.6.2", - "ml-spectra-processing": "^12.5.0", - "nmr-correlation": "^2.3.3", - "nmr-processing": "^11.0.1", - "nmredata": "^0.9.5", - "openchemlib": "^8.5.0", - "openchemlib-utils": "^5.2.0", - "sdf-parser": "^6.0.1", - "varian-converter": "^0.3.2" - } - }, "node_modules/nmrium/node_modules/nucleotide": { "version": "2.1.1", "resolved": "https://registry.npmjs.org/nucleotide/-/nucleotide-2.1.1.tgz", diff --git a/package.json b/package.json index 1d74a6b..87657cd 100644 --- a/package.json +++ b/package.json @@ -16,7 +16,7 @@ "filelist-utils": "^1.10.2", "nmr-load-save": "^0.23.2", "nmr-processing": "^11.5.0", - "nmrium": "0.44.1-pre.1696502379", + "nmrium": "^0.44.1-pre.1699958485", "react-science": "^0.28.1", "vite-plugin-pwa": "^0.16.7" }, diff --git a/yarn.lock b/yarn.lock index 51aa567..a43fe07 100644 --- a/yarn.lock +++ b/yarn.lock @@ -1039,35 +1039,35 @@ resolved "https://registry.npmjs.org/@bcoe/v8-coverage/-/v8-coverage-0.2.3.tgz" integrity sha512-0hYQ8SB4Db5zvZB4axdMHGwEaQjkZzFjQiN9LVYvIFB2nSUHW9tYpxWriPrWDASIxiaXax83REcLxuSdnGPZtw== -"@blueprintjs/colors@^5.0.2": - version "5.0.2" - resolved "https://registry.npmjs.org/@blueprintjs/colors/-/colors-5.0.2.tgz" - integrity sha512-icP/d5sheRT8ReRy6jf6WunvLmDQWXFjFU97/xKsqF5SMOWIYC92I0b/705dmc+z5lAXntkU67pCMRuNWSZ9lQ== +"@blueprintjs/colors@^5.0.5": + version "5.0.5" + resolved "https://registry.npmjs.org/@blueprintjs/colors/-/colors-5.0.5.tgz" + integrity sha512-UcCsBxE8GTF6GW1oHBb+cuhPpKiJFWbIRkemwcRkp9HvXXQHxEaXlFFC6jAx5pf3JmRwde5/ck3r+lJFP1YqzA== dependencies: - tslib "~2.5.0" + tslib "~2.6.2" -"@blueprintjs/core@^5.3.2", "@blueprintjs/core@^5.3.3": - version "5.3.3" - resolved "https://registry.npmjs.org/@blueprintjs/core/-/core-5.3.3.tgz" - integrity sha512-BbK19zwofASYNLkTtMPffkHNAWshBROFXzwFZEs0QlIZauEsGuJHvRf3z+uZu5syrEA+LBHTrTMujdzOmD5VXQ== +"@blueprintjs/core@^5.3.2", "@blueprintjs/core@^5.6.0": + version "5.6.0" + resolved "https://registry.npmjs.org/@blueprintjs/core/-/core-5.6.0.tgz" + integrity sha512-NtQL/iu8P8DhHUCWCstc9Ps+JkRZCPRJ2ZoxubOt21pfxN50CN0sKHkDETHUQyZ73RviveVIIK+m32mT5Wwdqg== dependencies: - "@blueprintjs/colors" "^5.0.2" - "@blueprintjs/icons" "^5.1.8" + "@blueprintjs/colors" "^5.0.5" + "@blueprintjs/icons" "^5.3.0" "@popperjs/core" "^2.11.7" classnames "^2.3.1" normalize.css "^8.0.1" react-popper "^2.3.0" react-transition-group "^4.4.5" - tslib "~2.5.0" + tslib "~2.6.2" -"@blueprintjs/icons@^5.1.7", "@blueprintjs/icons@^5.1.8": - version "5.1.8" - resolved "https://registry.npmjs.org/@blueprintjs/icons/-/icons-5.1.8.tgz" - integrity sha512-rEYToww69A3s8MhQ13e0vMumg5BNyVowS/raGJauIrTtUVrcI2SiuBa++TmKnRzQ6fI6y0K53tC1u8G4OMi1WA== +"@blueprintjs/icons@^5.1.7", "@blueprintjs/icons@^5.3.0": + version "5.3.0" + resolved "https://registry.npmjs.org/@blueprintjs/icons/-/icons-5.3.0.tgz" + integrity sha512-PGZHbWZ41b/SDOENlZQE1pAab4eluzf/hZ6sHB5nPrQNJuGNr94yaPp6u//Tu24iqVFFP20Soi3+ckhf/o3V/g== dependencies: change-case "^4.1.2" classnames "^2.3.1" - tslib "~2.5.0" + tslib "~2.6.2" "@emotion/babel-plugin@^11.11.0": version "11.11.0" @@ -2832,7 +2832,7 @@ browserslist@^4.21.9, "browserslist@>= 4.21.0": node-releases "^2.0.13" update-browserslist-db "^1.0.11" -brukerconverter@^6.3.0, brukerconverter@^6.3.1: +brukerconverter@^6.3.1: version "6.3.1" resolved "https://registry.npmjs.org/brukerconverter/-/brukerconverter-6.3.1.tgz" integrity sha512-ri6uQYfsoRBoTnBj7bv0Fm6vao80nm/f/ODj0acYMMqjK/YP79JmDjHSS3if5zukgWPlGVWYyShrJEIJjYeX4A== @@ -5097,7 +5097,7 @@ jcampconverter@^9.1.0, jcampconverter@^9.1.1, jcampconverter@^9.2.2: gyromagnetic-ratio "^1.0.0" ml-array-median "^1.1.6" -jeolconverter@^1.0.1, jeolconverter@^1.0.2: +jeolconverter@^1.0.2: version "1.0.2" resolved "https://registry.npmjs.org/jeolconverter/-/jeolconverter-1.0.2.tgz" integrity sha512-Oqp4VioharhRkQRSc6WkXc+s42DYLOdLWV7eNi16CJbiBvoaSrFf0KQwJJ5JfbpncYRMzrsjilBFYzYTbREC6g== @@ -6143,7 +6143,7 @@ ml-matrix-peaks-finder@^1.0.0: ml-disjoint-set "^1.0.0" ml-matrix-convolution "^1.0.0" -ml-matrix@^6.10.4, ml-matrix@^6.10.5, ml-matrix@^6.10.7, ml-matrix@^6.8.0: +ml-matrix@^6.10.4, ml-matrix@^6.10.5, ml-matrix@^6.10.7, ml-matrix@^6.10.8, ml-matrix@^6.8.0: version "6.10.8" resolved "https://registry.npmjs.org/ml-matrix/-/ml-matrix-6.10.8.tgz" integrity sha512-AOWniClvQMbGx2V0mqzOScINLe+PjAjpjTN3zYRG7gV5Zp29fu9b2E0PfTdnupN03USOQMvkjT9/8yB4hEEahg== @@ -6393,31 +6393,6 @@ nmr-correlation@^2.3.3: ml-matrix-peaks-finder "^1.0.0" ml-peak-shape-generator "^4.1.1" -nmr-load-save@^0.21.0: - version "0.21.0" - resolved "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.21.0.tgz" - integrity sha512-NePybxt/7G63cpnCuaMHsQSjfh61Ny8kPB1bpiONF9/ayOUfRgtvM0n5+M18arbQZ3x147nZR66JzLVduX+H8g== - dependencies: - "@lukeed/uuid" "^2.0.1" - "@types/lodash.merge" "^4.6.7" - brukerconverter "^6.3.0" - cheminfo-types "^1.7.2" - convert-to-jcamp "^5.4.9" - filelist-utils "^1.10.1" - gyromagnetic-ratio "^1.0.0" - is-any-array "^2.0.1" - jcampconverter "^9.1.1" - jeolconverter "^1.0.1" - lodash.merge "^4.6.2" - ml-spectra-processing "^12.5.0" - nmr-correlation "^2.3.3" - nmr-processing "^11.0.1" - nmredata "^0.9.5" - openchemlib "^8.5.0" - openchemlib-utils "^5.2.0" - sdf-parser "^6.0.1" - varian-converter "^0.3.2" - nmr-load-save@^0.23.2: version "0.23.2" resolved "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.2.tgz" @@ -6443,7 +6418,7 @@ nmr-load-save@^0.23.2: sdf-parser "^6.0.1" varian-converter "^0.3.3" -nmr-processing@^11.0.1, nmr-processing@^11.1.1, nmr-processing@^11.5.0: +nmr-processing@^11.5.0: version "11.5.0" resolved "https://registry.npmjs.org/nmr-processing/-/nmr-processing-11.5.0.tgz" integrity sha512-WnrHPd6aYmiBW2a2bk743Id6XD9UJ3uLZSL7HDYrFhfjGzAiNK2d+SMn8fm7PmuKGV7Q6SChxb5Zdthgqo//dQ== @@ -6476,7 +6451,7 @@ nmr-processing@^11.0.1, nmr-processing@^11.1.1, nmr-processing@^11.5.0: openchemlib-utils "^5.4.0" spectrum-generator "^8.0.8" -nmredata@^0.9.5, nmredata@^0.9.7: +nmredata@^0.9.7: version "0.9.7" resolved "https://registry.npmjs.org/nmredata/-/nmredata-0.9.7.tgz" integrity sha512-Lp2Pjts420voq++NZevDcnCuv2b6qCb0haKoUAHSWAyQ6YUrCNZSqJuDPcX4FAC/pim7gsqM5peex7d+tWgNhA== @@ -6486,12 +6461,12 @@ nmredata@^0.9.5, nmredata@^0.9.7: openchemlib "^8.0.1" openchemlib-utils "^5.2.0" -nmrium@0.44.1-pre.1696502379: - version "0.44.1-pre.1696502379" - resolved "https://registry.npmjs.org/nmrium/-/nmrium-0.44.1-pre.1696502379.tgz" - integrity sha512-b8hqUzBNq2ECtpg2j6/k439BnQdjPO/5aWiTRJYzIXwBbAqgbNLHGQBnHDEqbfbFBHzi4I81eIrHLPaBlLvFHA== +nmrium@^0.44.1-pre.1699958485: + version "0.44.1-pre.1699958485" + resolved "https://registry.npmjs.org/nmrium/-/nmrium-0.44.1-pre.1699958485.tgz" + integrity sha512-semMZuP6+OhWriKDN9eN0gF73clPd4C1IsBhVGf6Y3cvmbhxZ/YKVOiC9/7T2nHqRB08vnH1T/lY4DGF8Wf4eg== dependencies: - "@blueprintjs/core" "^5.3.3" + "@blueprintjs/core" "^5.6.0" "@emotion/react" "^11.11.1" "@emotion/styled" "^11.11.0" "@lukeed/uuid" "^2.0.1" @@ -6505,10 +6480,9 @@ nmrium@0.44.1-pre.1696502379: file-saver "^2.0.5" filelist-utils "^1.10.2" formik "^2.4.5" - immer "^10.0.2" + immer "^10.0.3" jszip "^3.10.1" lodash "^4.17.21" - ml-airpls "^1.0.2" ml-array-max "^1.2.4" ml-array-mean "^1.1.6" ml-array-median "^1.1.6" @@ -6516,17 +6490,17 @@ nmrium@0.44.1-pre.1696502379: ml-baseline-correction-regression "^1.0.2" ml-conrec "^5.0.2" ml-gsd "^12.1.3" - ml-matrix "^6.10.5" - ml-spectra-processing "^12.5.1" + ml-matrix "^6.10.8" + ml-spectra-processing "^12.6.0" ml-stat "^1.3.3" multiplet-analysis "^2.1.2" nmr-correlation "^2.3.3" - nmr-load-save "^0.21.0" - nmr-processing "^11.1.1" + nmr-load-save "^0.23.2" + nmr-processing "^11.5.0" nmredata "^0.9.7" numeral "^2.0.6" - openchemlib "^8.5.0" - openchemlib-utils "^5.3.0" + openchemlib "^8.7.1" + openchemlib-utils "^5.4.0" papaparse "^5.4.1" re-resizable "6.9.11" react-d3-utils "^1.0.0" @@ -6545,7 +6519,7 @@ nmrium@0.44.1-pre.1696502379: react-transition-group "^4.4.5" react-use "^17.4.0" smart-array-filter "^4.0.2" - yup "^1.3.1" + yup "^1.3.2" no-case@^3.0.4: version "3.0.4" @@ -6727,7 +6701,7 @@ openchemlib-utils@^2.4.0: papaparse "^5.4.1" sdf-parser "^6.0.1" -openchemlib-utils@^5.0.2, openchemlib-utils@^5.2.0, openchemlib-utils@^5.3.0, openchemlib-utils@^5.4.0, openchemlib-utils@5.4.0: +openchemlib-utils@^5.0.2, openchemlib-utils@^5.2.0, openchemlib-utils@^5.4.0, openchemlib-utils@5.4.0: version "5.4.0" resolved "https://registry.npmjs.org/openchemlib-utils/-/openchemlib-utils-5.4.0.tgz" integrity sha512-9DSgbhYWWBA+EgGQDXFJkuMoIF5oheQoU5teiF4E4FYKKsM42C7VCoMpYTZFQkIdgHYMlmEMOqofT8LHbHRVyg== @@ -6740,7 +6714,7 @@ openchemlib-utils@^5.0.2, openchemlib-utils@^5.2.0, openchemlib-utils@^5.3.0, op papaparse "^5.4.1" sdf-parser "^6.0.1" -openchemlib@^8.0.1, openchemlib@^8.5.0, openchemlib@^8.7.0, openchemlib@>=8, openchemlib@>=8.3.0, openchemlib@>=8.5.0: +openchemlib@^8.0.1, openchemlib@^8.5.0, openchemlib@^8.7.0, openchemlib@^8.7.1, openchemlib@>=8, openchemlib@>=8.3.0, openchemlib@>=8.5.0: version "8.7.1" resolved "https://registry.npmjs.org/openchemlib/-/openchemlib-8.7.1.tgz" integrity sha512-skzgPw0F5ZxLe3y0Td4uyegNi8N2P3jj9EumIdki8eGzs4QhBtpOibkejcy9lLcItsnxwrO1se5cuaJWRB5MiQ== @@ -8238,16 +8212,11 @@ tsconfig-paths@^3.14.2: minimist "^1.2.6" strip-bom "^3.0.0" -tslib@*, tslib@^2.0.0, tslib@^2.0.3, tslib@^2.1.0, tslib@^2.4.0: +tslib@*, tslib@^2.0.0, tslib@^2.0.3, tslib@^2.1.0, tslib@^2.4.0, tslib@~2.6.2: version "2.6.2" resolved "https://registry.npmjs.org/tslib/-/tslib-2.6.2.tgz" integrity sha512-AEYxH93jGFPn/a2iVAwW87VuUIkR1FVUKB77NwMF7nBTDkDrrT/Hpt/IrCJ0QXhW27jTBDcf5ZY7w6RiqTMw2Q== -tslib@~2.5.0: - version "2.5.3" - resolved "https://registry.npmjs.org/tslib/-/tslib-2.5.3.tgz" - integrity sha512-mSxlJJwl3BMEQCUNnxXBU9jP4JBktcEGhURcPR6VQVlnP0FdDEsIaz0C35dXNGLyRfrATNofF0F5p2KPxQgB+w== - tslib@2.3.1: version "2.3.1" resolved "https://registry.npmjs.org/tslib/-/tslib-2.3.1.tgz" @@ -8485,7 +8454,7 @@ validate-npm-package-license@^3.0.1: spdx-correct "^3.0.0" spdx-expression-parse "^3.0.0" -varian-converter@^0.3.2, varian-converter@^0.3.3: +varian-converter@^0.3.3: version "0.3.3" resolved "https://registry.npmjs.org/varian-converter/-/varian-converter-0.3.3.tgz" integrity sha512-pu2WVuXeqtoy/RC1XIga6E1A4/4m+XhQSVzFdPjxlX2ih53qpHV3fl/g/UVvvJ9m9GQdOExEGKIK3JG4up8Upg== @@ -8874,7 +8843,7 @@ yocto-queue@^0.1.0: resolved "https://registry.npmjs.org/yocto-queue/-/yocto-queue-0.1.0.tgz" integrity sha512-rVksvsnNCdJ/ohGc6xgPwyN8eheCxsiLM8mxuE/t/mOVqJewPuO1miLpTHQiRgTKCLexL4MeAFVagts7HmNZ2Q== -yup@^1.3.1: +yup@^1.3.2: version "1.3.2" resolved "https://registry.npmjs.org/yup/-/yup-1.3.2.tgz" integrity sha512-6KCM971iQtJ+/KUaHdrhVr2LDkfhBtFPRnsG1P8F4q3uUVQ2RfEM9xekpha9aA4GXWJevjM10eDcPQ1FfWlmaQ== From 7a0ec41b6dba5b74a7f6b679dfc922d81d90cb06 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Tue, 14 Nov 2023 11:55:40 +0100 Subject: [PATCH 07/19] refactor: useLoadSpectra function return type --- src/hooks/useLoadSpectra.ts | 53 ++++++++++++++++++++----------------- 1 file changed, 29 insertions(+), 24 deletions(-) diff --git a/src/hooks/useLoadSpectra.ts b/src/hooks/useLoadSpectra.ts index 08c6d29..30e42fa 100644 --- a/src/hooks/useLoadSpectra.ts +++ b/src/hooks/useLoadSpectra.ts @@ -44,36 +44,41 @@ async function loadSpectraFromURLs(urls: string[]) { type NMRiumData = NmriumState['data']; -export function useLoadSpectra() { +type LoadOptions = { urls: string[] } | { files: File[] }; + +interface UseLoadSpectraResult { + data: { version: number; data: NMRiumData }; + load: (options: LoadOptions) => void; + isLoading: boolean; +} + +export function useLoadSpectra(): UseLoadSpectraResult { const [data, setData] = useState({ spectra: [], molecules: [] }); const [isLoading, setLoading] = useState(false); - const load = useCallback( - async (options: { urls: string[] } | { files: File[] }) => { - setLoading(true); - try { - if ('urls' in options) { - if (isArrayOfString(options.urls)) { - const result = await loadSpectraFromURLs(options.urls); - setData(result as NMRiumData); - } else { - throw new Error('The input must be a valid urls array of string[]'); - } - } else if ('files' in options) { - const result = await loadSpectraFromFiles(options.files); + const load = useCallback(async (options: LoadOptions) => { + setLoading(true); + try { + if ('urls' in options) { + if (isArrayOfString(options.urls)) { + const result = await loadSpectraFromURLs(options.urls); setData(result as NMRiumData); + } else { + throw new Error('The input must be a valid urls array of string[]'); } - } catch (error: unknown) { - const loadError = error as Error; - events.trigger('error', loadError); - // eslint-disable-next-line no-console - console.log(error); - } finally { - setLoading(false); + } else if ('files' in options) { + const result = await loadSpectraFromFiles(options.files); + setData(result as NMRiumData); } - }, - [], - ); + } catch (error: unknown) { + const loadError = error as Error; + events.trigger('error', loadError); + // eslint-disable-next-line no-console + console.log(error); + } finally { + setLoading(false); + } + }, []); return useMemo( () => ({ From 9de2f42985c12f30eaf7b069ef4bb6357f8a800f Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Tue, 21 Nov 2023 19:43:30 +0100 Subject: [PATCH 08/19] chore: update dependencies --- package-lock.json | 527 ++++++++++++++++++++++++++++++---------------- package.json | 22 +- yarn.lock | 266 ++++++++++++----------- 3 files changed, 503 insertions(+), 312 deletions(-) diff --git a/package-lock.json b/package-lock.json index 21345ac..eca3451 100644 --- a/package-lock.json +++ b/package-lock.json @@ -15,32 +15,32 @@ "nmr-processing": "^11.5.0", "nmrium": "^0.44.1-pre.1699958485", "react-science": "^0.28.1", - "vite-plugin-pwa": "^0.16.7" + "vite-plugin-pwa": "^0.17.0" }, "devDependencies": { "@babel/plugin-transform-modules-commonjs": "^7.23.3", "@babel/preset-react": "^7.23.3", "@babel/preset-typescript": "^7.23.3", - "@playwright/test": "^1.39.0", + "@playwright/test": "^1.40.0", "@simbathesailor/use-what-changed": "^2.0.0", - "@types/jest": "^29.5.8", - "@types/node": "^20.9.0", - "@types/react": "^18.2.37", - "@types/react-dom": "^18.2.15", + "@types/jest": "^29.5.9", + "@types/node": "^20.9.3", + "@types/react": "^18.2.38", + "@types/react-dom": "^18.2.16", "@types/react-router-dom": "^5.3.3", - "@vitejs/plugin-react-swc": "^3.4.1", + "@vitejs/plugin-react-swc": "^3.5.0", "cross-env": "^7.0.3", - "eslint": "^8.53.0", + "eslint": "^8.54.0", "eslint-config-cheminfo-react": "^10.0.0", "eslint-config-cheminfo-typescript": "^12.0.4", "jest": "^29.7.0", "prettier": "3.1.0", "react": "^18.2.0", "react-dom": "^18.2.0", - "react-router-dom": "^6.18.0", + "react-router-dom": "^6.19.0", "serve": "^14.2.1", - "typescript": "^5.2.2", - "vite": "^4.5.0" + "typescript": "^5.3.2", + "vite": "^5.0.2" } }, "node_modules/@aashutoshrathi/word-wrap": { @@ -1971,9 +1971,9 @@ } }, "node_modules/@esbuild/android-arm": { - "version": "0.18.11", - 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"^7.0.0" workbox-window "^7.0.0" -"vite@^3.1.0 || ^4.0.0 || ^5.0.0-0", vite@^4, vite@^4.5.0: - version "4.5.0" - resolved "https://registry.npmjs.org/vite/-/vite-4.5.0.tgz" - integrity sha512-ulr8rNLA6rkyFAlVWw2q5YJ91v098AFQ2R0PRFwPzREXOUJQPtFUG0t+/ZikhaOCDqFoDhN6/v8Sq0o4araFAw== +"vite@^3.1.0 || ^4.0.0 || ^5.0.0", "vite@^4 || ^5", vite@^5.0.2: + version "5.0.2" + resolved "https://registry.npmjs.org/vite/-/vite-5.0.2.tgz" + integrity sha512-6CCq1CAJCNM1ya2ZZA7+jS2KgnhbzvxakmlIjN24cF/PXhRMzpM/z8QgsVJA/Dm5fWUWnVEsmtBoMhmerPxT0g== dependencies: - esbuild "^0.18.10" - postcss "^8.4.27" - rollup "^3.27.1" + esbuild "^0.19.3" + postcss "^8.4.31" + rollup "^4.2.0" optionalDependencies: - fsevents "~2.3.2" + fsevents "~2.3.3" walker@^1.0.8: version "1.0.8" From 9dd6895252089898609d5a78a85998eebc224446 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Tue, 21 Nov 2023 19:46:23 +0100 Subject: [PATCH 09/19] feat: update nmrium to pre-release version 0.44.1-pre.1700591828 --- package-lock.json | 38 +++++++++++++++++++------------------- package.json | 8 ++++---- yarn.lock | 40 ++++++++++++++++++++-------------------- 3 files changed, 43 insertions(+), 43 deletions(-) diff --git a/package-lock.json b/package-lock.json index eca3451..9d497cf 100644 --- a/package-lock.json +++ b/package-lock.json @@ -11,9 +11,9 @@ "dependencies": { "@emotion/react": "^11.11.1", "filelist-utils": "^1.10.2", - "nmr-load-save": "^0.23.2", - "nmr-processing": "^11.5.0", - "nmrium": "^0.44.1-pre.1699958485", + "nmr-load-save": "^0.23.3", + "nmr-processing": "^11.6.0", + "nmrium": "^0.44.1-pre.1700591828", "react-science": "^0.28.1", "vite-plugin-pwa": "^0.17.0" }, @@ -9545,9 +9545,9 @@ } }, "node_modules/jcampconverter": { - "version": "9.3.0", - "resolved": "https://registry.npmjs.org/jcampconverter/-/jcampconverter-9.3.0.tgz", - "integrity": "sha512-OmO7qiohm3NuGCBMHMd4djtk41qil0G/hNAQ9VEkH7M4p7CMgWiZ+sj6c7lGn+mTrAUzsD1b2QY9g/zkyBtjvw==", + "version": "9.4.1", + "resolved": "https://registry.npmjs.org/jcampconverter/-/jcampconverter-9.4.1.tgz", + "integrity": "sha512-P+0FRkDx4hYCZ0q5BWdoiQTa1kf2maw9A12iUMvnkrQ18f04rZ1WDUhPFEFaMquNujucqNQ9lbYUoR08PFmlXg==", "dependencies": { "cheminfo-types": "^1.7.2", "dynamic-typing": "^1.0.0", @@ -12236,9 +12236,9 @@ } }, "node_modules/nmr-load-save": { - "version": "0.23.2", - "resolved": "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.2.tgz", - "integrity": "sha512-QSBYdjENOAhznJoZWYzn8aLQc3Df24xSWzwn/maK5dHd015XKy35p4+O5u2KmGW6lmyF8KysWemjmiKHUXdv7Q==", + "version": "0.23.3", + "resolved": "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.3.tgz", + "integrity": "sha512-g8p0Ympb+UiE4PXQoCA2pR4q9wRCWEk/8bpKKLEUrugDZbUzq+f6B5ws3eG1P0caUkof832gqgQLH4pC5Q9S3A==", "dependencies": { "@lukeed/uuid": "^2.0.1", "@types/lodash.merge": "^4.6.7", @@ -12248,12 +12248,12 @@ "filelist-utils": "^1.10.2", "gyromagnetic-ratio": "^1.0.0", "is-any-array": "^2.0.1", - "jcampconverter": "^9.2.2", + "jcampconverter": "^9.4.1", "jeolconverter": "^1.0.2", "lodash.merge": "^4.6.2", "ml-spectra-processing": "^12.5.1", "nmr-correlation": "^2.3.3", - "nmr-processing": "^11.5.0", + "nmr-processing": "^11.6.0", "nmredata": "^0.9.7", "openchemlib": "^8.7.0", "openchemlib-utils": "^5.4.0", @@ -12262,9 +12262,9 @@ } }, "node_modules/nmr-processing": { - "version": "11.5.0", - "resolved": "https://registry.npmjs.org/nmr-processing/-/nmr-processing-11.5.0.tgz", - "integrity": "sha512-WnrHPd6aYmiBW2a2bk743Id6XD9UJ3uLZSL7HDYrFhfjGzAiNK2d+SMn8fm7PmuKGV7Q6SChxb5Zdthgqo//dQ==", + "version": "11.6.0", + "resolved": "https://registry.npmjs.org/nmr-processing/-/nmr-processing-11.6.0.tgz", + "integrity": "sha512-Hqh3h3WYlZNTuXODgd7LJh7Qt04pHb4gJedpcZoex8f7wL6vyWsAF7F85KwXDCrsZ4nEGPxh5a004VYZdVEHSg==", "dependencies": { "@lukeed/uuid": "^2.0.1", "binary-search": "^1.3.6", @@ -12307,9 +12307,9 @@ } }, "node_modules/nmrium": { - "version": "0.44.1-pre.1699958485", - "resolved": "https://registry.npmjs.org/nmrium/-/nmrium-0.44.1-pre.1699958485.tgz", - "integrity": "sha512-semMZuP6+OhWriKDN9eN0gF73clPd4C1IsBhVGf6Y3cvmbhxZ/YKVOiC9/7T2nHqRB08vnH1T/lY4DGF8Wf4eg==", + "version": "0.44.1-pre.1700591828", + "resolved": "https://registry.npmjs.org/nmrium/-/nmrium-0.44.1-pre.1700591828.tgz", + "integrity": "sha512-HY2HWYT7iJMatQ4hxAd0aYnN1XHb0NMn4OJ3hCDaZmptGEwgflfrYNw/tSjqB04kWIQZDY/UTPu9nDFcNR8dWA==", "dependencies": { "@blueprintjs/core": "^5.6.0", "@emotion/react": "^11.11.1", @@ -12340,8 +12340,8 @@ "ml-stat": "^1.3.3", "multiplet-analysis": "^2.1.2", "nmr-correlation": "^2.3.3", - "nmr-load-save": "^0.23.2", - "nmr-processing": "^11.5.0", + "nmr-load-save": "^0.23.3", + "nmr-processing": "^11.6.0", "nmredata": "^0.9.7", "numeral": "^2.0.6", "openchemlib": "^8.7.1", diff --git a/package.json b/package.json index e773df6..0d265c2 100644 --- a/package.json +++ b/package.json @@ -14,9 +14,9 @@ "dependencies": { "@emotion/react": "^11.11.1", "filelist-utils": "^1.10.2", - "nmr-load-save": "^0.23.2", - "nmr-processing": "^11.5.0", - "nmrium": "^0.44.1-pre.1699958485", + "nmr-load-save": "^0.23.3", + "nmr-processing": "^11.6.0", + "nmrium": "^0.44.1-pre.1700591828", "react-science": "^0.28.1", "vite-plugin-pwa": "^0.17.0" }, @@ -60,4 +60,4 @@ "typescript": "^5.3.2", "vite": "^5.0.2" } -} \ No newline at end of file +} diff --git a/yarn.lock b/yarn.lock index 6df24ca..28f1eca 100644 --- a/yarn.lock +++ b/yarn.lock @@ -5096,10 +5096,10 @@ jake@^10.8.5: filelist "^1.0.4" minimatch "^3.1.2" -jcampconverter@^9.1.0, jcampconverter@^9.1.1, jcampconverter@^9.2.2: - version "9.3.0" - resolved "https://registry.npmjs.org/jcampconverter/-/jcampconverter-9.3.0.tgz" - integrity sha512-OmO7qiohm3NuGCBMHMd4djtk41qil0G/hNAQ9VEkH7M4p7CMgWiZ+sj6c7lGn+mTrAUzsD1b2QY9g/zkyBtjvw== +jcampconverter@^9.1.0, jcampconverter@^9.1.1, jcampconverter@^9.2.2, jcampconverter@^9.4.1: + version "9.4.1" + resolved "https://registry.npmjs.org/jcampconverter/-/jcampconverter-9.4.1.tgz" + integrity sha512-P+0FRkDx4hYCZ0q5BWdoiQTa1kf2maw9A12iUMvnkrQ18f04rZ1WDUhPFEFaMquNujucqNQ9lbYUoR08PFmlXg== dependencies: cheminfo-types "^1.7.2" dynamic-typing "^1.0.0" @@ -6403,10 +6403,10 @@ nmr-correlation@^2.3.3: ml-matrix-peaks-finder "^1.0.0" ml-peak-shape-generator "^4.1.1" -nmr-load-save@^0.23.2: - version "0.23.2" - resolved "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.2.tgz" - integrity sha512-QSBYdjENOAhznJoZWYzn8aLQc3Df24xSWzwn/maK5dHd015XKy35p4+O5u2KmGW6lmyF8KysWemjmiKHUXdv7Q== +nmr-load-save@^0.23.3: + version "0.23.3" + resolved "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.3.tgz" + integrity sha512-g8p0Ympb+UiE4PXQoCA2pR4q9wRCWEk/8bpKKLEUrugDZbUzq+f6B5ws3eG1P0caUkof832gqgQLH4pC5Q9S3A== dependencies: "@lukeed/uuid" "^2.0.1" "@types/lodash.merge" "^4.6.7" @@ -6416,22 +6416,22 @@ nmr-load-save@^0.23.2: filelist-utils "^1.10.2" gyromagnetic-ratio "^1.0.0" is-any-array "^2.0.1" - jcampconverter "^9.2.2" + jcampconverter "^9.4.1" jeolconverter "^1.0.2" lodash.merge "^4.6.2" ml-spectra-processing "^12.5.1" nmr-correlation "^2.3.3" - nmr-processing "^11.5.0" + nmr-processing "^11.6.0" nmredata "^0.9.7" openchemlib "^8.7.0" openchemlib-utils "^5.4.0" sdf-parser "^6.0.1" varian-converter "^0.3.3" -nmr-processing@^11.5.0: - version "11.5.0" - resolved "https://registry.npmjs.org/nmr-processing/-/nmr-processing-11.5.0.tgz" - integrity sha512-WnrHPd6aYmiBW2a2bk743Id6XD9UJ3uLZSL7HDYrFhfjGzAiNK2d+SMn8fm7PmuKGV7Q6SChxb5Zdthgqo//dQ== +nmr-processing@^11.6.0: + version "11.6.0" + resolved "https://registry.npmjs.org/nmr-processing/-/nmr-processing-11.6.0.tgz" + integrity sha512-Hqh3h3WYlZNTuXODgd7LJh7Qt04pHb4gJedpcZoex8f7wL6vyWsAF7F85KwXDCrsZ4nEGPxh5a004VYZdVEHSg== dependencies: "@lukeed/uuid" "^2.0.1" binary-search "^1.3.6" @@ -6471,10 +6471,10 @@ nmredata@^0.9.7: openchemlib "^8.0.1" openchemlib-utils "^5.2.0" -nmrium@^0.44.1-pre.1699958485: - version "0.44.1-pre.1699958485" - resolved "https://registry.npmjs.org/nmrium/-/nmrium-0.44.1-pre.1699958485.tgz" - integrity sha512-semMZuP6+OhWriKDN9eN0gF73clPd4C1IsBhVGf6Y3cvmbhxZ/YKVOiC9/7T2nHqRB08vnH1T/lY4DGF8Wf4eg== +nmrium@^0.44.1-pre.1700591828: + version "0.44.1-pre.1700591828" + resolved "https://registry.npmjs.org/nmrium/-/nmrium-0.44.1-pre.1700591828.tgz" + integrity sha512-HY2HWYT7iJMatQ4hxAd0aYnN1XHb0NMn4OJ3hCDaZmptGEwgflfrYNw/tSjqB04kWIQZDY/UTPu9nDFcNR8dWA== dependencies: "@blueprintjs/core" "^5.6.0" "@emotion/react" "^11.11.1" @@ -6505,8 +6505,8 @@ nmrium@^0.44.1-pre.1699958485: ml-stat "^1.3.3" multiplet-analysis "^2.1.2" nmr-correlation "^2.3.3" - nmr-load-save "^0.23.2" - nmr-processing "^11.5.0" + nmr-load-save "^0.23.3" + nmr-processing "^11.6.0" nmredata "^0.9.7" numeral "^2.0.6" openchemlib "^8.7.1" From 6099d62f30f8d976b7516c1efb73bf3e36418bc5 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Wed, 22 Nov 2023 10:22:18 +0100 Subject: [PATCH 10/19] fix: serialize spectra object --- src/NMRiumWrapper.tsx | 9 ++++++++- src/hooks/useLoadSpectra.ts | 11 ++++++++++- src/utilities/mapSpectra.ts | 17 +++++++++++++++++ 3 files changed, 35 insertions(+), 2 deletions(-) create mode 100644 src/utilities/mapSpectra.ts diff --git a/src/NMRiumWrapper.tsx b/src/NMRiumWrapper.tsx index 808f95a..0b62640 100644 --- a/src/NMRiumWrapper.tsx +++ b/src/NMRiumWrapper.tsx @@ -7,6 +7,7 @@ import { useLoadSpectra } from './hooks/useLoadSpectra'; import { usePreferences } from './hooks/usePreferences'; import { useWhiteList } from './hooks/useWhiteList'; import AboutUsModal from './modal/AboutUsModal'; +import { mapSpectra } from './utilities/mapSpectra'; const styles: Record<'container' | 'loadingContainer', CSSProperties> = { container: { @@ -39,7 +40,13 @@ export default function NMRiumWrapper() { const { workspace, preferences, defaultEmptyMessage } = usePreferences(); const dataChangeHandler = useCallback((state, source) => { - events.trigger('data-change', { state, source }); + //TODO: remove map spectra once this issue resolved + //a temporary fix by remove the `logger` and `keepSource` objects from each spectrum, this should removed once we solve the issue in nmr-load-save + state.data.spectra = mapSpectra(state.data.spectra); + events.trigger('data-change', { + state, + source, + }); }, []); const { load: loadSpectra, isLoading, data: loadedData } = useLoadSpectra(); diff --git a/src/hooks/useLoadSpectra.ts b/src/hooks/useLoadSpectra.ts index 30e42fa..3655cec 100644 --- a/src/hooks/useLoadSpectra.ts +++ b/src/hooks/useLoadSpectra.ts @@ -11,6 +11,7 @@ import { useCallback, useMemo, useState } from 'react'; import events from '../events'; import { getFileNameFromURL } from '../utilities/getFileNameFromURL'; import { isArrayOfString } from '../utilities/isArrayOfString'; +import { mapSpectra } from '../utilities/mapSpectra'; const PARSING_OPTIONS: Partial = { onLoadProcessing: { autoProcessing: true }, @@ -23,7 +24,10 @@ async function loadSpectraFromFiles(files: File[]) { const { nmriumState: { data }, } = await read(fileCollection, PARSING_OPTIONS); - return data; + //TODO: remove map spectra once this issue resolved + //a temporary fix by remove the `logger` and `keepSource` objects from each spectrum, this should removed once we solve the issue in nmr-load-save + const mapData = { ...data, spectra: mapSpectra(data?.spectra) }; + return mapData; } async function loadSpectraFromURLs(urls: string[]) { @@ -39,6 +43,11 @@ async function loadSpectraFromURLs(urls: string[]) { }, []); const { data } = await readFromWebSource({ entries }, PARSING_OPTIONS); + //TODO: remove map spectra once this issue resolved + //a temporary fix by remove the `logger` and `keepSource` objects from each spectrum, this should removed once we solve the issue in nmr-load-save + const mapData = { ...data, spectra: mapSpectra(data?.spectra) }; + return mapData; + return data; } diff --git a/src/utilities/mapSpectra.ts b/src/utilities/mapSpectra.ts new file mode 100644 index 0000000..9ddba56 --- /dev/null +++ b/src/utilities/mapSpectra.ts @@ -0,0 +1,17 @@ +/* eslint-disable @typescript-eslint/dot-notation */ +import { Spectrum } from 'nmr-load-save'; + +export function mapSpectra(spectra?: Spectrum[]) { + if (!spectra) return []; + + return spectra.map((spectrum) => { + const cloneSpectrum = { ...spectrum }; + if ('logger' in cloneSpectrum || 'keepSource' in cloneSpectrum) { + // eslint-disable-next-line @typescript-eslint/no-dynamic-delete + delete cloneSpectrum['logger']; + // eslint-disable-next-line @typescript-eslint/no-dynamic-delete + delete cloneSpectrum['keepSource']; + } + return cloneSpectrum; + }, []); +} From 37cb463798e6c62591ff1c1c6ee580d3315c5546 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Wed, 22 Nov 2023 10:23:34 +0100 Subject: [PATCH 11/19] fix: read gyromagnetic ratio correctly in nmrium --- package-lock.json | 36 ++++++++++++++++++------------------ package.json | 6 +++--- yarn.lock | 40 ++++++++++++++++++++-------------------- 3 files changed, 41 insertions(+), 41 deletions(-) diff --git a/package-lock.json b/package-lock.json index 9d497cf..afde361 100644 --- a/package-lock.json +++ b/package-lock.json @@ -11,9 +11,9 @@ "dependencies": { "@emotion/react": "^11.11.1", "filelist-utils": "^1.10.2", - "nmr-load-save": "^0.23.3", + "nmr-load-save": "^0.23.4", "nmr-processing": "^11.6.0", - "nmrium": "^0.44.1-pre.1700591828", + "nmrium": "^0.44.1-pre.1700644530", "react-science": "^0.28.1", "vite-plugin-pwa": "^0.17.0" }, @@ -8556,9 +8556,9 @@ "integrity": "sha512-EtKwoO6kxCL9WO5xipiHTZlSzBm7WLT627TqC/uVRd0HKmq8NXyebnNYxDoBi7wt8eTWrUrKXCOVaFq9x1kgag==" }, "node_modules/gyromagnetic-ratio": { - "version": "1.0.0", - "resolved": "https://registry.npmjs.org/gyromagnetic-ratio/-/gyromagnetic-ratio-1.0.0.tgz", - "integrity": "sha512-s55NtJPxoplsW/8OnM1C7tNWd2gEXXt+roF3NPNDKFb7YchBy9JXdxmzztf3d4JL1zCiQz5cn6HSC8M0osN78w==" + "version": "1.1.1", + "resolved": "https://registry.npmjs.org/gyromagnetic-ratio/-/gyromagnetic-ratio-1.1.1.tgz", + "integrity": "sha512-M1y9bAhK11moqAPRZ5oUoDCEIQCogjKYXDMlkXJiSjkLFmOAp1qevrjThF+6KrtwkSpmT7Vgy8C/mgBlIdZPSg==" }, "node_modules/has": { "version": "1.0.3", @@ -9545,14 +9545,14 @@ } }, "node_modules/jcampconverter": { - "version": "9.4.1", - "resolved": "https://registry.npmjs.org/jcampconverter/-/jcampconverter-9.4.1.tgz", - "integrity": "sha512-P+0FRkDx4hYCZ0q5BWdoiQTa1kf2maw9A12iUMvnkrQ18f04rZ1WDUhPFEFaMquNujucqNQ9lbYUoR08PFmlXg==", + "version": "9.4.2", + "resolved": "https://registry.npmjs.org/jcampconverter/-/jcampconverter-9.4.2.tgz", + "integrity": "sha512-yTC4PgSMYeo+hHY/n9G+WgjGbjgwsdvEcu9FaJx55iRelHshulZ2HF3qPfwR4lH5vVpI0aQoplRYsE0MTUz18w==", "dependencies": { "cheminfo-types": "^1.7.2", "dynamic-typing": "^1.0.0", "ensure-string": "^1.2.0", - "gyromagnetic-ratio": "^1.0.0", + "gyromagnetic-ratio": "^1.1.1", "ml-array-median": "^1.1.6" } }, @@ -12236,9 +12236,9 @@ } }, "node_modules/nmr-load-save": { - "version": "0.23.3", - "resolved": "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.3.tgz", - "integrity": "sha512-g8p0Ympb+UiE4PXQoCA2pR4q9wRCWEk/8bpKKLEUrugDZbUzq+f6B5ws3eG1P0caUkof832gqgQLH4pC5Q9S3A==", + "version": "0.23.4", + "resolved": "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.4.tgz", + "integrity": "sha512-A7PFWXBEwlFjjrTcvNAK++Lafl/nca6GGWuLB0uQ8ni6qAsBQ4Xnr6Inv0ZKJfpR6bR17hJgX2EL+A5BPi8xwg==", "dependencies": { "@lukeed/uuid": "^2.0.1", "@types/lodash.merge": "^4.6.7", @@ -12246,9 +12246,9 @@ "cheminfo-types": "^1.7.2", "convert-to-jcamp": "^5.4.9", "filelist-utils": "^1.10.2", - "gyromagnetic-ratio": "^1.0.0", + "gyromagnetic-ratio": "^1.1.0", "is-any-array": "^2.0.1", - "jcampconverter": "^9.4.1", + "jcampconverter": "^9.4.2", "jeolconverter": "^1.0.2", "lodash.merge": "^4.6.2", "ml-spectra-processing": "^12.5.1", @@ -12307,9 +12307,9 @@ } }, "node_modules/nmrium": { - "version": "0.44.1-pre.1700591828", - "resolved": "https://registry.npmjs.org/nmrium/-/nmrium-0.44.1-pre.1700591828.tgz", - "integrity": "sha512-HY2HWYT7iJMatQ4hxAd0aYnN1XHb0NMn4OJ3hCDaZmptGEwgflfrYNw/tSjqB04kWIQZDY/UTPu9nDFcNR8dWA==", + "version": "0.44.1-pre.1700644530", + "resolved": "https://registry.npmjs.org/nmrium/-/nmrium-0.44.1-pre.1700644530.tgz", + "integrity": "sha512-8uT471dhVPF2cYmmqKS63uS1NuIMlFWXBxHV/h/RqadxY2yrYqtn0Grzx4J06UHuVgkLUvt5p0AzN4LmRThTZw==", "dependencies": { "@blueprintjs/core": "^5.6.0", "@emotion/react": "^11.11.1", @@ -12340,7 +12340,7 @@ "ml-stat": "^1.3.3", "multiplet-analysis": "^2.1.2", "nmr-correlation": "^2.3.3", - "nmr-load-save": "^0.23.3", + "nmr-load-save": "^0.23.4", "nmr-processing": "^11.6.0", "nmredata": "^0.9.7", "numeral": "^2.0.6", diff --git a/package.json b/package.json index 0d265c2..99d86e1 100644 --- a/package.json +++ b/package.json @@ -14,9 +14,9 @@ "dependencies": { "@emotion/react": "^11.11.1", "filelist-utils": "^1.10.2", - "nmr-load-save": "^0.23.3", + "nmr-load-save": "^0.23.4", "nmr-processing": "^11.6.0", - "nmrium": "^0.44.1-pre.1700591828", + "nmrium": "^0.44.1-pre.1700644530", "react-science": "^0.28.1", "vite-plugin-pwa": "^0.17.0" }, @@ -60,4 +60,4 @@ "typescript": "^5.3.2", "vite": "^5.0.2" } -} +} \ No newline at end of file diff --git a/yarn.lock b/yarn.lock index 28f1eca..c327b3a 100644 --- a/yarn.lock +++ b/yarn.lock @@ -4543,10 +4543,10 @@ graphemer@^1.4.0: resolved "https://registry.npmjs.org/graphemer/-/graphemer-1.4.0.tgz" integrity sha512-EtKwoO6kxCL9WO5xipiHTZlSzBm7WLT627TqC/uVRd0HKmq8NXyebnNYxDoBi7wt8eTWrUrKXCOVaFq9x1kgag== -gyromagnetic-ratio@^1.0.0: - version "1.0.0" - resolved "https://registry.npmjs.org/gyromagnetic-ratio/-/gyromagnetic-ratio-1.0.0.tgz" - integrity sha512-s55NtJPxoplsW/8OnM1C7tNWd2gEXXt+roF3NPNDKFb7YchBy9JXdxmzztf3d4JL1zCiQz5cn6HSC8M0osN78w== +gyromagnetic-ratio@^1.0.0, gyromagnetic-ratio@^1.1.0, gyromagnetic-ratio@^1.1.1: + version "1.1.1" + resolved "https://registry.npmjs.org/gyromagnetic-ratio/-/gyromagnetic-ratio-1.1.1.tgz" + integrity sha512-M1y9bAhK11moqAPRZ5oUoDCEIQCogjKYXDMlkXJiSjkLFmOAp1qevrjThF+6KrtwkSpmT7Vgy8C/mgBlIdZPSg== has-bigints@^1.0.1, has-bigints@^1.0.2: version "1.0.2" @@ -5096,15 +5096,15 @@ jake@^10.8.5: filelist "^1.0.4" minimatch "^3.1.2" -jcampconverter@^9.1.0, jcampconverter@^9.1.1, jcampconverter@^9.2.2, jcampconverter@^9.4.1: - version "9.4.1" - resolved "https://registry.npmjs.org/jcampconverter/-/jcampconverter-9.4.1.tgz" - integrity sha512-P+0FRkDx4hYCZ0q5BWdoiQTa1kf2maw9A12iUMvnkrQ18f04rZ1WDUhPFEFaMquNujucqNQ9lbYUoR08PFmlXg== +jcampconverter@^9.1.0, jcampconverter@^9.1.1, jcampconverter@^9.2.2, jcampconverter@^9.4.2: + version "9.4.2" + resolved "https://registry.npmjs.org/jcampconverter/-/jcampconverter-9.4.2.tgz" + integrity sha512-yTC4PgSMYeo+hHY/n9G+WgjGbjgwsdvEcu9FaJx55iRelHshulZ2HF3qPfwR4lH5vVpI0aQoplRYsE0MTUz18w== dependencies: cheminfo-types "^1.7.2" dynamic-typing "^1.0.0" ensure-string "^1.2.0" - gyromagnetic-ratio "^1.0.0" + gyromagnetic-ratio "^1.1.1" ml-array-median "^1.1.6" jeolconverter@^1.0.2: @@ -6403,10 +6403,10 @@ nmr-correlation@^2.3.3: ml-matrix-peaks-finder "^1.0.0" ml-peak-shape-generator "^4.1.1" -nmr-load-save@^0.23.3: - version "0.23.3" - resolved "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.3.tgz" - integrity sha512-g8p0Ympb+UiE4PXQoCA2pR4q9wRCWEk/8bpKKLEUrugDZbUzq+f6B5ws3eG1P0caUkof832gqgQLH4pC5Q9S3A== +nmr-load-save@^0.23.4: + version "0.23.4" + resolved "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.4.tgz" + integrity sha512-A7PFWXBEwlFjjrTcvNAK++Lafl/nca6GGWuLB0uQ8ni6qAsBQ4Xnr6Inv0ZKJfpR6bR17hJgX2EL+A5BPi8xwg== dependencies: "@lukeed/uuid" "^2.0.1" "@types/lodash.merge" "^4.6.7" @@ -6414,9 +6414,9 @@ nmr-load-save@^0.23.3: cheminfo-types "^1.7.2" convert-to-jcamp "^5.4.9" filelist-utils "^1.10.2" - gyromagnetic-ratio "^1.0.0" + gyromagnetic-ratio "^1.1.0" is-any-array "^2.0.1" - jcampconverter "^9.4.1" + jcampconverter "^9.4.2" jeolconverter "^1.0.2" lodash.merge "^4.6.2" ml-spectra-processing "^12.5.1" @@ -6471,10 +6471,10 @@ nmredata@^0.9.7: openchemlib "^8.0.1" openchemlib-utils "^5.2.0" -nmrium@^0.44.1-pre.1700591828: - version "0.44.1-pre.1700591828" - resolved "https://registry.npmjs.org/nmrium/-/nmrium-0.44.1-pre.1700591828.tgz" - integrity sha512-HY2HWYT7iJMatQ4hxAd0aYnN1XHb0NMn4OJ3hCDaZmptGEwgflfrYNw/tSjqB04kWIQZDY/UTPu9nDFcNR8dWA== +nmrium@^0.44.1-pre.1700644530: + version "0.44.1-pre.1700644530" + resolved "https://registry.npmjs.org/nmrium/-/nmrium-0.44.1-pre.1700644530.tgz" + integrity sha512-8uT471dhVPF2cYmmqKS63uS1NuIMlFWXBxHV/h/RqadxY2yrYqtn0Grzx4J06UHuVgkLUvt5p0AzN4LmRThTZw== dependencies: "@blueprintjs/core" "^5.6.0" "@emotion/react" "^11.11.1" @@ -6505,7 +6505,7 @@ nmrium@^0.44.1-pre.1700591828: ml-stat "^1.3.3" multiplet-analysis "^2.1.2" nmr-correlation "^2.3.3" - nmr-load-save "^0.23.3" + nmr-load-save "^0.23.4" nmr-processing "^11.6.0" nmredata "^0.9.7" numeral "^2.0.6" From 914614e12484e0d8247a9260ffc6bf1c4654793a Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Thu, 30 Nov 2023 13:17:47 +0100 Subject: [PATCH 12/19] feat: update nmrium to pre-release version 0.45.1-pre.1701344673 --- package-lock.json | 34 +++++++++++++++++----------------- package.json | 6 +++--- yarn.lock | 38 +++++++++++++++++++------------------- 3 files changed, 39 insertions(+), 39 deletions(-) diff --git a/package-lock.json b/package-lock.json index afde361..bf58834 100644 --- a/package-lock.json +++ b/package-lock.json @@ -11,9 +11,9 @@ "dependencies": { "@emotion/react": "^11.11.1", "filelist-utils": "^1.10.2", - "nmr-load-save": "^0.23.4", + "nmr-load-save": "^0.23.8", "nmr-processing": "^11.6.0", - "nmrium": "^0.44.1-pre.1700644530", + "nmrium": "^0.45.1-pre.1701344673", "react-science": "^0.28.1", "vite-plugin-pwa": "^0.17.0" }, @@ -9545,9 +9545,9 @@ } }, "node_modules/jcampconverter": { - "version": "9.4.2", - "resolved": "https://registry.npmjs.org/jcampconverter/-/jcampconverter-9.4.2.tgz", - "integrity": "sha512-yTC4PgSMYeo+hHY/n9G+WgjGbjgwsdvEcu9FaJx55iRelHshulZ2HF3qPfwR4lH5vVpI0aQoplRYsE0MTUz18w==", + "version": "9.5.0", + "resolved": "https://registry.npmjs.org/jcampconverter/-/jcampconverter-9.5.0.tgz", + "integrity": "sha512-xsuZXcUd+YkF0Rlt0IZa1+4XbMYq/fR6+gewwDJd5M17y2+SbjrgESKZH73+GokzLC7H1KTS0/l5/7cQFFLgiA==", "dependencies": { "cheminfo-types": "^1.7.2", "dynamic-typing": "^1.0.0", @@ -12236,9 +12236,9 @@ } }, "node_modules/nmr-load-save": { - "version": "0.23.4", - "resolved": "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.4.tgz", - "integrity": "sha512-A7PFWXBEwlFjjrTcvNAK++Lafl/nca6GGWuLB0uQ8ni6qAsBQ4Xnr6Inv0ZKJfpR6bR17hJgX2EL+A5BPi8xwg==", + "version": "0.23.8", + "resolved": "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.8.tgz", + "integrity": "sha512-iyoYhaHWlEk280hKX8Dwq0HPdRk/gHuMT0eHvGWr58I0yfEU5IGAHsK4jMex/H0Eg4HgAhWGA0lCClLFVwpK2A==", "dependencies": { "@lukeed/uuid": "^2.0.1", "@types/lodash.merge": "^4.6.7", @@ -12248,13 +12248,13 @@ "filelist-utils": "^1.10.2", "gyromagnetic-ratio": "^1.1.0", "is-any-array": "^2.0.1", - "jcampconverter": "^9.4.2", + "jcampconverter": "^9.5.0", "jeolconverter": "^1.0.2", "lodash.merge": "^4.6.2", "ml-spectra-processing": "^12.5.1", "nmr-correlation": "^2.3.3", "nmr-processing": "^11.6.0", - "nmredata": "^0.9.7", + "nmredata": "^0.9.9", "openchemlib": "^8.7.0", "openchemlib-utils": "^5.4.0", "sdf-parser": "^6.0.1", @@ -12296,9 +12296,9 @@ } }, "node_modules/nmredata": { - "version": "0.9.7", - "resolved": "https://registry.npmjs.org/nmredata/-/nmredata-0.9.7.tgz", - "integrity": "sha512-Lp2Pjts420voq++NZevDcnCuv2b6qCb0haKoUAHSWAyQ6YUrCNZSqJuDPcX4FAC/pim7gsqM5peex7d+tWgNhA==", + "version": "0.9.9", + "resolved": "https://registry.npmjs.org/nmredata/-/nmredata-0.9.9.tgz", + "integrity": "sha512-FhqSIN3p37RE/e/8Lf8OG/bpAuT35WtKrhjo6W9YQ1ZvC6QV7xP/1IUYOfOjmMqafaMC8xdzED9aSgHnlE5VUA==", "dependencies": { "filelist-utils": "^1.2.0", "jszip": "^3.10.1", @@ -12307,9 +12307,9 @@ } }, "node_modules/nmrium": { - "version": "0.44.1-pre.1700644530", - "resolved": "https://registry.npmjs.org/nmrium/-/nmrium-0.44.1-pre.1700644530.tgz", - "integrity": "sha512-8uT471dhVPF2cYmmqKS63uS1NuIMlFWXBxHV/h/RqadxY2yrYqtn0Grzx4J06UHuVgkLUvt5p0AzN4LmRThTZw==", + "version": "0.45.1-pre.1701344673", + "resolved": "https://registry.npmjs.org/nmrium/-/nmrium-0.45.1-pre.1701344673.tgz", + "integrity": "sha512-am2/m1oxMvaMSl2O5b3AP+sKip52k98aaSQShCwh16YLAIjcH3dKwSM1gSxI6DigmhpB7xa8m21fwM8Pt2QkxQ==", "dependencies": { "@blueprintjs/core": "^5.6.0", "@emotion/react": "^11.11.1", @@ -12340,7 +12340,7 @@ "ml-stat": "^1.3.3", "multiplet-analysis": "^2.1.2", "nmr-correlation": "^2.3.3", - "nmr-load-save": "^0.23.4", + "nmr-load-save": "^0.23.8", "nmr-processing": "^11.6.0", "nmredata": "^0.9.7", "numeral": "^2.0.6", diff --git a/package.json b/package.json index 99d86e1..25b589e 100644 --- a/package.json +++ b/package.json @@ -14,9 +14,9 @@ "dependencies": { "@emotion/react": "^11.11.1", "filelist-utils": "^1.10.2", - "nmr-load-save": "^0.23.4", + "nmr-load-save": "^0.23.8", "nmr-processing": "^11.6.0", - "nmrium": "^0.44.1-pre.1700644530", + "nmrium": "^0.45.1-pre.1701344673", "react-science": "^0.28.1", "vite-plugin-pwa": "^0.17.0" }, @@ -60,4 +60,4 @@ "typescript": "^5.3.2", "vite": "^5.0.2" } -} \ No newline at end of file +} diff --git a/yarn.lock b/yarn.lock index c327b3a..653e73c 100644 --- a/yarn.lock +++ b/yarn.lock @@ -5096,10 +5096,10 @@ jake@^10.8.5: filelist "^1.0.4" minimatch "^3.1.2" -jcampconverter@^9.1.0, jcampconverter@^9.1.1, jcampconverter@^9.2.2, jcampconverter@^9.4.2: - version "9.4.2" - resolved "https://registry.npmjs.org/jcampconverter/-/jcampconverter-9.4.2.tgz" - integrity sha512-yTC4PgSMYeo+hHY/n9G+WgjGbjgwsdvEcu9FaJx55iRelHshulZ2HF3qPfwR4lH5vVpI0aQoplRYsE0MTUz18w== +jcampconverter@^9.1.0, jcampconverter@^9.1.1, jcampconverter@^9.2.2, jcampconverter@^9.5.0: + version "9.5.0" + resolved "https://registry.npmjs.org/jcampconverter/-/jcampconverter-9.5.0.tgz" + integrity sha512-xsuZXcUd+YkF0Rlt0IZa1+4XbMYq/fR6+gewwDJd5M17y2+SbjrgESKZH73+GokzLC7H1KTS0/l5/7cQFFLgiA== dependencies: cheminfo-types "^1.7.2" dynamic-typing "^1.0.0" @@ -6403,10 +6403,10 @@ nmr-correlation@^2.3.3: ml-matrix-peaks-finder "^1.0.0" ml-peak-shape-generator "^4.1.1" -nmr-load-save@^0.23.4: - version "0.23.4" - resolved "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.4.tgz" - integrity sha512-A7PFWXBEwlFjjrTcvNAK++Lafl/nca6GGWuLB0uQ8ni6qAsBQ4Xnr6Inv0ZKJfpR6bR17hJgX2EL+A5BPi8xwg== +nmr-load-save@^0.23.8: + version "0.23.8" + resolved "https://registry.npmjs.org/nmr-load-save/-/nmr-load-save-0.23.8.tgz" + integrity sha512-iyoYhaHWlEk280hKX8Dwq0HPdRk/gHuMT0eHvGWr58I0yfEU5IGAHsK4jMex/H0Eg4HgAhWGA0lCClLFVwpK2A== dependencies: "@lukeed/uuid" "^2.0.1" "@types/lodash.merge" "^4.6.7" @@ -6416,13 +6416,13 @@ nmr-load-save@^0.23.4: filelist-utils "^1.10.2" gyromagnetic-ratio "^1.1.0" is-any-array "^2.0.1" - jcampconverter "^9.4.2" + jcampconverter "^9.5.0" jeolconverter "^1.0.2" lodash.merge "^4.6.2" ml-spectra-processing "^12.5.1" nmr-correlation "^2.3.3" nmr-processing "^11.6.0" - nmredata "^0.9.7" + nmredata "^0.9.9" openchemlib "^8.7.0" openchemlib-utils "^5.4.0" sdf-parser "^6.0.1" @@ -6461,20 +6461,20 @@ nmr-processing@^11.6.0: openchemlib-utils "^5.4.0" spectrum-generator "^8.0.8" -nmredata@^0.9.7: - version "0.9.7" - resolved "https://registry.npmjs.org/nmredata/-/nmredata-0.9.7.tgz" - integrity sha512-Lp2Pjts420voq++NZevDcnCuv2b6qCb0haKoUAHSWAyQ6YUrCNZSqJuDPcX4FAC/pim7gsqM5peex7d+tWgNhA== +nmredata@^0.9.7, nmredata@^0.9.9: + version "0.9.9" + resolved "https://registry.npmjs.org/nmredata/-/nmredata-0.9.9.tgz" + integrity sha512-FhqSIN3p37RE/e/8Lf8OG/bpAuT35WtKrhjo6W9YQ1ZvC6QV7xP/1IUYOfOjmMqafaMC8xdzED9aSgHnlE5VUA== dependencies: filelist-utils "^1.2.0" jszip "^3.10.1" openchemlib "^8.0.1" openchemlib-utils "^5.2.0" -nmrium@^0.44.1-pre.1700644530: - version "0.44.1-pre.1700644530" - resolved "https://registry.npmjs.org/nmrium/-/nmrium-0.44.1-pre.1700644530.tgz" - integrity sha512-8uT471dhVPF2cYmmqKS63uS1NuIMlFWXBxHV/h/RqadxY2yrYqtn0Grzx4J06UHuVgkLUvt5p0AzN4LmRThTZw== +nmrium@^0.45.1-pre.1701344673: + version "0.45.1-pre.1701344673" + resolved "https://registry.npmjs.org/nmrium/-/nmrium-0.45.1-pre.1701344673.tgz" + integrity sha512-am2/m1oxMvaMSl2O5b3AP+sKip52k98aaSQShCwh16YLAIjcH3dKwSM1gSxI6DigmhpB7xa8m21fwM8Pt2QkxQ== dependencies: "@blueprintjs/core" "^5.6.0" "@emotion/react" "^11.11.1" @@ -6505,7 +6505,7 @@ nmrium@^0.44.1-pre.1700644530: ml-stat "^1.3.3" multiplet-analysis "^2.1.2" nmr-correlation "^2.3.3" - nmr-load-save "^0.23.4" + nmr-load-save "^0.23.8" nmr-processing "^11.6.0" nmredata "^0.9.7" numeral "^2.0.6" From 1dfece8c508dcc8bb1e2d47e05aa8041cad26194 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Thu, 30 Nov 2023 13:18:42 +0100 Subject: [PATCH 13/19] chore: update dependencies --- package-lock.json | 98 +++++++++++++++++++++--------------------- package.json | 16 +++---- yarn.lock | 106 +++++++++++++++++++++++----------------------- 3 files changed, 110 insertions(+), 110 deletions(-) diff --git a/package-lock.json b/package-lock.json index bf58834..c82a1c9 100644 --- a/package-lock.json +++ b/package-lock.json @@ -15,18 +15,18 @@ "nmr-processing": "^11.6.0", "nmrium": "^0.45.1-pre.1701344673", "react-science": "^0.28.1", - "vite-plugin-pwa": "^0.17.0" + "vite-plugin-pwa": "^0.17.2" }, "devDependencies": { "@babel/plugin-transform-modules-commonjs": "^7.23.3", "@babel/preset-react": "^7.23.3", "@babel/preset-typescript": "^7.23.3", - "@playwright/test": "^1.40.0", + "@playwright/test": "^1.40.1", "@simbathesailor/use-what-changed": "^2.0.0", - "@types/jest": "^29.5.9", - "@types/node": "^20.9.3", - "@types/react": "^18.2.38", - "@types/react-dom": "^18.2.16", + "@types/jest": "^29.5.10", + "@types/node": "^20.10.1", + "@types/react": "^18.2.39", + "@types/react-dom": "^18.2.17", "@types/react-router-dom": "^5.3.3", "@vitejs/plugin-react-swc": "^3.5.0", "cross-env": "^7.0.3", @@ -37,10 +37,10 @@ "prettier": "3.1.0", "react": "^18.2.0", "react-dom": "^18.2.0", - "react-router-dom": "^6.19.0", + "react-router-dom": "^6.20.0", "serve": "^14.2.1", "typescript": "^5.3.2", - "vite": "^5.0.2" + "vite": "^5.0.4" } }, "node_modules/@aashutoshrathi/word-wrap": { @@ -3320,12 +3320,12 @@ } }, "node_modules/@playwright/test": { - "version": "1.40.0", - "resolved": "https://registry.npmjs.org/@playwright/test/-/test-1.40.0.tgz", - "integrity": "sha512-PdW+kn4eV99iP5gxWNSDQCbhMaDVej+RXL5xr6t04nbKLCBwYtA046t7ofoczHOm8u6c+45hpDKQVZqtqwkeQg==", + "version": "1.40.1", + "resolved": "https://registry.npmjs.org/@playwright/test/-/test-1.40.1.tgz", + "integrity": "sha512-EaaawMTOeEItCRvfmkI9v6rBkF1svM8wjl/YPRrg2N2Wmp+4qJYkWtJsbew1szfKKDm6fPLy4YAanBhIlf9dWw==", "dev": true, "dependencies": { - "playwright": "1.40.0" + "playwright": "1.40.1" }, "bin": { 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-vite-plugin-pwa@^0.17.0: - version "0.17.0" - resolved "https://registry.npmjs.org/vite-plugin-pwa/-/vite-plugin-pwa-0.17.0.tgz" - integrity sha512-cOyEG8EEc7JHmyMapTnjK2j0g2BIC3ErlmOHyGzVu8hqjyF9Jt6yWMmVNFtpA6v/NNyzP28ARf3vwzIAzR1kaw== +vite-plugin-pwa@^0.17.2: + version "0.17.2" + resolved "https://registry.npmjs.org/vite-plugin-pwa/-/vite-plugin-pwa-0.17.2.tgz" + integrity sha512-aVH9sxcTDumiWYiNcLrFqu+FdL79I2cT5EhlVe5V6nGcC64yQNGT1jamMytwi+OdfXl4VYic0LtoJ6JHMkM3ZQ== dependencies: debug "^4.3.4" fast-glob "^3.3.2" @@ -8501,10 +8501,10 @@ vite-plugin-pwa@^0.17.0: workbox-build "^7.0.0" workbox-window "^7.0.0" -"vite@^3.1.0 || ^4.0.0 || ^5.0.0", "vite@^4 || ^5", vite@^5.0.2: - version "5.0.2" - resolved "https://registry.npmjs.org/vite/-/vite-5.0.2.tgz" - integrity sha512-6CCq1CAJCNM1ya2ZZA7+jS2KgnhbzvxakmlIjN24cF/PXhRMzpM/z8QgsVJA/Dm5fWUWnVEsmtBoMhmerPxT0g== +"vite@^3.1.0 || ^4.0.0 || ^5.0.0", "vite@^4 || ^5", vite@^5.0.4: + version "5.0.4" + resolved "https://registry.npmjs.org/vite/-/vite-5.0.4.tgz" + integrity sha512-RzAr8LSvM8lmhB4tQ5OPcBhpjOZRZjuxv9zO5UcxeoY2bd3kP3Ticd40Qma9/BqZ8JS96Ll/jeBX9u+LJZrhVg== dependencies: esbuild "^0.19.3" postcss "^8.4.31" From 7e8a618cfb59d4cbc29a0a561c83ed592f213cb1 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Thu, 30 Nov 2023 13:22:11 +0100 Subject: [PATCH 14/19] refactor: remove map spectra --- src/NMRiumWrapper.tsx | 4 ---- src/hooks/useLoadSpectra.ts | 11 +---------- src/utilities/mapSpectra.ts | 17 ----------------- 3 files changed, 1 insertion(+), 31 deletions(-) delete mode 100644 src/utilities/mapSpectra.ts diff --git a/src/NMRiumWrapper.tsx b/src/NMRiumWrapper.tsx index 0b62640..fd7a67e 100644 --- a/src/NMRiumWrapper.tsx +++ b/src/NMRiumWrapper.tsx @@ -7,7 +7,6 @@ import { useLoadSpectra } from './hooks/useLoadSpectra'; import { usePreferences } from './hooks/usePreferences'; import { useWhiteList } from './hooks/useWhiteList'; import AboutUsModal from './modal/AboutUsModal'; -import { mapSpectra } from './utilities/mapSpectra'; const styles: Record<'container' | 'loadingContainer', CSSProperties> = { container: { @@ -40,9 +39,6 @@ export default function NMRiumWrapper() { const { workspace, preferences, defaultEmptyMessage } = usePreferences(); const dataChangeHandler = useCallback((state, source) => { - //TODO: remove map spectra once this issue resolved - //a temporary fix by remove the `logger` and `keepSource` objects from each spectrum, this should removed once we solve the issue in nmr-load-save - state.data.spectra = mapSpectra(state.data.spectra); events.trigger('data-change', { state, source, diff --git a/src/hooks/useLoadSpectra.ts b/src/hooks/useLoadSpectra.ts index 3655cec..30e42fa 100644 --- a/src/hooks/useLoadSpectra.ts +++ b/src/hooks/useLoadSpectra.ts @@ -11,7 +11,6 @@ import { useCallback, useMemo, useState } from 'react'; import events from '../events'; import { getFileNameFromURL } from '../utilities/getFileNameFromURL'; import { isArrayOfString } from '../utilities/isArrayOfString'; -import { mapSpectra } from '../utilities/mapSpectra'; const PARSING_OPTIONS: Partial = { onLoadProcessing: { autoProcessing: true }, @@ -24,10 +23,7 @@ async function loadSpectraFromFiles(files: File[]) { const { nmriumState: { data }, } = await read(fileCollection, PARSING_OPTIONS); - //TODO: remove map spectra once this issue resolved - //a temporary fix by remove the `logger` and `keepSource` objects from each spectrum, this should removed once we solve the issue in nmr-load-save - const mapData = { ...data, spectra: mapSpectra(data?.spectra) }; - return mapData; + return data; } async function loadSpectraFromURLs(urls: string[]) { @@ -43,11 +39,6 @@ async function loadSpectraFromURLs(urls: string[]) { }, []); const { data } = await readFromWebSource({ entries }, PARSING_OPTIONS); - //TODO: remove map spectra once this issue resolved - //a temporary fix by remove the `logger` and `keepSource` objects from each spectrum, this should removed once we solve the issue in nmr-load-save - const mapData = { ...data, spectra: mapSpectra(data?.spectra) }; - return mapData; - return data; } diff --git a/src/utilities/mapSpectra.ts b/src/utilities/mapSpectra.ts deleted file mode 100644 index 9ddba56..0000000 --- a/src/utilities/mapSpectra.ts +++ /dev/null @@ -1,17 +0,0 @@ -/* eslint-disable @typescript-eslint/dot-notation */ -import { Spectrum } from 'nmr-load-save'; - -export function mapSpectra(spectra?: Spectrum[]) { - if (!spectra) return []; - - return spectra.map((spectrum) => { - const cloneSpectrum = { ...spectrum }; - if ('logger' in cloneSpectrum || 'keepSource' in cloneSpectrum) { - // eslint-disable-next-line @typescript-eslint/no-dynamic-delete - delete cloneSpectrum['logger']; - // eslint-disable-next-line @typescript-eslint/no-dynamic-delete - delete cloneSpectrum['keepSource']; - } - return cloneSpectrum; - }, []); -} From 959b514867196abadefd0666c5b1bce500da7390 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Thu, 14 Dec 2023 12:16:33 +0100 Subject: [PATCH 15/19] chore: update dependencies --- package-lock.json | 629 +++++++++++++++++++++++++------------------- package.json | 24 +- yarn.lock | 653 ++++++++++++++++++++++++---------------------- 3 files changed, 712 insertions(+), 594 deletions(-) diff --git a/package-lock.json b/package-lock.json index c82a1c9..aa54f4a 100644 --- a/package-lock.json +++ b/package-lock.json @@ -14,8 +14,8 @@ "nmr-load-save": "^0.23.8", "nmr-processing": "^11.6.0", "nmrium": "^0.45.1-pre.1701344673", - "react-science": "^0.28.1", - "vite-plugin-pwa": "^0.17.2" + "react-science": "^0.32.1", + "vite-plugin-pwa": "^0.17.4" }, "devDependencies": { "@babel/plugin-transform-modules-commonjs": "^7.23.3", @@ -23,24 +23,24 @@ "@babel/preset-typescript": "^7.23.3", "@playwright/test": "^1.40.1", "@simbathesailor/use-what-changed": "^2.0.0", - "@types/jest": "^29.5.10", - "@types/node": "^20.10.1", - "@types/react": "^18.2.39", + "@types/jest": "^29.5.11", + "@types/node": "^20.10.4", + "@types/react": "^18.2.45", "@types/react-dom": "^18.2.17", "@types/react-router-dom": "^5.3.3", "@vitejs/plugin-react-swc": "^3.5.0", "cross-env": "^7.0.3", - "eslint": "^8.54.0", - "eslint-config-cheminfo-react": "^10.0.0", - "eslint-config-cheminfo-typescript": "^12.0.4", + "eslint": "^8.55.0", + "eslint-config-cheminfo-react": "^10.1.0", + "eslint-config-cheminfo-typescript": "^12.1.0", "jest": "^29.7.0", - "prettier": "3.1.0", + "prettier": "3.1.1", "react": "^18.2.0", "react-dom": "^18.2.0", - "react-router-dom": "^6.20.0", + "react-router-dom": "^6.21.0", "serve": "^14.2.1", - "typescript": "^5.3.2", - "vite": "^5.0.4" + "typescript": "^5.3.3", + "vite": "^5.0.8" } }, "node_modules/@aashutoshrathi/word-wrap": { @@ -1766,20 +1766,20 @@ "dev": true }, "node_modules/@blueprintjs/colors": { - "version": "5.0.5", - "resolved": "https://registry.npmjs.org/@blueprintjs/colors/-/colors-5.0.5.tgz", - "integrity": 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"^3.0.0" +spdx-expression-parse@^4.0.0: + version "4.0.0" + resolved "https://registry.npmjs.org/spdx-expression-parse/-/spdx-expression-parse-4.0.0.tgz" + integrity sha512-Clya5JIij/7C6bRR22+tnGXbc4VKlibKSVj2iHvVeX5iMW7s1SIQlqu699JkODJJIhh/pUu8L0/VLh8xflD+LQ== + dependencies: + spdx-exceptions "^2.1.0" + spdx-license-ids "^3.0.0" + spdx-license-ids@^3.0.0: - version "3.0.13" - resolved "https://registry.npmjs.org/spdx-license-ids/-/spdx-license-ids-3.0.13.tgz" - integrity sha512-XkD+zwiqXHikFZm4AX/7JSCXA98U5Db4AFd5XUg/+9UNtnH75+Z9KxtpYiJZx36mUDVOwH83pl7yvCer6ewM3w== + version "3.0.16" + resolved "https://registry.npmjs.org/spdx-license-ids/-/spdx-license-ids-3.0.16.tgz" + integrity sha512-eWN+LnM3GR6gPu35WxNgbGl8rmY1AEmoMDvL/QD6zYmPWgywxWqJWNdLGT+ke8dKNWrcYgYjPpG5gbTfghP8rw== spectrum-generator@^8.0.8: version "8.0.8" @@ -8215,9 +8252,9 @@ tr46@~0.0.3: integrity sha512-N3WMsuqV66lT30CrXNbEjx4GEwlow3v6rr4mCcv6prnfwhS01rkgyFdjPNBYd9br7LpXV1+Emh01fHnq2Gdgrw== ts-api-utils@^1.0.1: - 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"vite@^4 || ^5", vite@^5.0.4: - version "5.0.4" - resolved "https://registry.npmjs.org/vite/-/vite-5.0.4.tgz" - integrity sha512-RzAr8LSvM8lmhB4tQ5OPcBhpjOZRZjuxv9zO5UcxeoY2bd3kP3Ticd40Qma9/BqZ8JS96Ll/jeBX9u+LJZrhVg== +"vite@^3.1.0 || ^4.0.0 || ^5.0.0", "vite@^4 || ^5", vite@^5.0.8: + version "5.0.8" + resolved "https://registry.npmjs.org/vite/-/vite-5.0.8.tgz" + integrity sha512-jYMALd8aeqR3yS9xlHd0OzQJndS9fH5ylVgWdB+pxTwxLKdO1pgC5Dlb398BUxpfaBxa4M9oT7j1g503Gaj5IQ== dependencies: esbuild "^0.19.3" - postcss "^8.4.31" + postcss "^8.4.32" rollup "^4.2.0" optionalDependencies: fsevents "~2.3.3" From 6ca6c565ec2a84d394f1a0867e704883cae8dce6 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Thu, 14 Dec 2023 12:16:44 +0100 Subject: [PATCH 16/19] feat: throw errors from nmrium using the error action --- src/NMRiumWrapper.tsx | 3 +++ 1 file changed, 3 insertions(+) diff --git a/src/NMRiumWrapper.tsx b/src/NMRiumWrapper.tsx index fd7a67e..e857788 100644 --- a/src/NMRiumWrapper.tsx +++ b/src/NMRiumWrapper.tsx @@ -122,6 +122,9 @@ export default function NMRiumWrapper() { preferences={preferences} workspace={workspace} emptyText={defaultEmptyMessage} + onError={(error) => { + events.trigger('error', error); + }} /> From d1647f27217346a7c9d9c765ec07cc4f5b4c97b8 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Thu, 14 Dec 2023 12:25:46 +0100 Subject: [PATCH 17/19] feat: update nmrium to version 0.46.0 --- package-lock.json | 540 ++++++++-------------------------------------- package.json | 8 +- src/index.tsx | 2 + yarn.lock | 453 +++++++++----------------------------- 4 files changed, 200 insertions(+), 803 deletions(-) diff --git a/package-lock.json b/package-lock.json index aa54f4a..e02165b 100644 --- a/package-lock.json +++ b/package-lock.json @@ -9,11 +9,13 @@ "version": "0.4.0", "license": "MIT", "dependencies": { + "@blueprintjs/core": "^5.7.2", + "@blueprintjs/icons": "^5.5.0", "@emotion/react": "^11.11.1", "filelist-utils": "^1.10.2", - "nmr-load-save": 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- "use-resize-observer": "^9.1.0", - "wdf-parser": "^0.3.0" - }, - "peerDependencies": { - "react": ">=18.0.0", - "react-dom": ">=18.0.0" - } - }, "node_modules/no-case": { "version": "3.0.4", "resolved": "https://registry.npmjs.org/no-case/-/no-case-3.0.4.tgz", @@ -13070,9 +12710,9 @@ } }, "node_modules/openchemlib": { - "version": "8.7.1", - "resolved": "https://registry.npmjs.org/openchemlib/-/openchemlib-8.7.1.tgz", - "integrity": "sha512-skzgPw0F5ZxLe3y0Td4uyegNi8N2P3jj9EumIdki8eGzs4QhBtpOibkejcy9lLcItsnxwrO1se5cuaJWRB5MiQ==" + "version": "8.7.2", + "resolved": "https://registry.npmjs.org/openchemlib/-/openchemlib-8.7.2.tgz", + "integrity": "sha512-k7LGea1GRLewzO9REarAVrP62hZgImxDZRIU6p29utmYiXL56OmlVMVoTG3FqEule+yx/p96yzv9qYladSC3SA==" }, "node_modules/openchemlib-utils": { "version": "5.5.0", @@ -14057,9 +13697,9 @@ } }, "node_modules/react-use": { - "version": "17.4.0", - "resolved": "https://registry.npmjs.org/react-use/-/react-use-17.4.0.tgz", - "integrity": "sha512-TgbNTCA33Wl7xzIJegn1HndB4qTS9u03QUwyNycUnXaweZkE4Kq2SB+Yoxx8qbshkZGYBDvUXbXWRUmQDcZZ/Q==", + "version": "17.4.2", + "resolved": "https://registry.npmjs.org/react-use/-/react-use-17.4.2.tgz", + "integrity": "sha512-1jPtmWLD8OJJNYCdYLJEH/HM+bPDfJuyGwCYeJFgPmWY8ttwpgZnW5QnzgM55CYUByUiTjHxsGOnEpLl6yQaoQ==", "dependencies": { "@types/js-cookie": "^2.2.6", "@xobotyi/scrollbar-width": "^1.9.5", @@ -14067,7 +13707,7 @@ "fast-deep-equal": "^3.1.3", "fast-shallow-equal": "^1.0.0", "js-cookie": "^2.2.1", - "nano-css": "^5.3.1", + "nano-css": "^5.6.1", "react-universal-interface": "^0.6.2", "resize-observer-polyfill": "^1.5.1", "screenfull": "^5.1.0", @@ -14077,8 +13717,8 @@ "tslib": "^2.1.0" }, "peerDependencies": { - "react": "^16.8.0 || ^17.0.0 || ^18.0.0", - "react-dom": "^16.8.0 || ^17.0.0 || ^18.0.0" + "react": "*", + "react-dom": "*" } }, "node_modules/read-pkg": { @@ -15752,14 +15392,6 @@ } } }, - "node_modules/use-sync-external-store": { - "version": "1.2.0", - "resolved": 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index 24dd822..9d06c7c 100644 --- a/src/index.tsx +++ b/src/index.tsx @@ -1,4 +1,6 @@ import 'react-science/styles/preflight.css'; +import '@blueprintjs/core/lib/css/blueprint.css'; +import '@blueprintjs/icons/lib/css/blueprint-icons.css'; import { createRoot } from 'react-dom/client'; import { HashRouter as Router, Route, Routes } from 'react-router-dom'; diff --git a/yarn.lock b/yarn.lock index de11d9a..99c0ccd 100644 --- a/yarn.lock +++ b/yarn.lock @@ -1046,7 +1046,7 @@ dependencies: tslib "~2.6.2" -"@blueprintjs/core@^5.3.2", "@blueprintjs/core@^5.6.0", "@blueprintjs/core@^5.7.2": +"@blueprintjs/core@^5.3.2", "@blueprintjs/core@^5.7.2": version "5.7.2" resolved "https://registry.npmjs.org/@blueprintjs/core/-/core-5.7.2.tgz" integrity sha512-wzYSog3RGsNq95F0stYZ+C6/PBjPidFRzVRnQPeUO/M0tZCL4QEbKC4qNz1flGlXaQH5sD6rjaoRoFaJfouXVg== @@ -1259,7 +1259,7 @@ resolved "https://registry.npmjs.org/@floating-ui/utils/-/utils-0.1.6.tgz" integrity sha512-OfX7E2oUDYxtBvsuS4e/jSn4Q9Qb6DzgeYtsAdkPZ47znpoNsMgZw0+tVijiv3uGNR6dgNlty6r9rzIzHjtd/A== -"@headlessui/react@^1.7.16", "@headlessui/react@^1.7.17": +"@headlessui/react@^1.7.17": version "1.7.17" resolved "https://registry.npmjs.org/@headlessui/react/-/react-1.7.17.tgz" integrity sha512-4am+tzvkqDSSgiwrsEpGWqgGo9dz8qU5M3znCkC4PgkpY4HcCZzEDEvozltGGGHIKl9jbXbZPSH5TWn4sWJdow== @@ -1520,7 +1520,7 @@ "@jridgewell/gen-mapping" "^0.3.0" "@jridgewell/trace-mapping" "^0.3.9" -"@jridgewell/sourcemap-codec@^1.4.10": +"@jridgewell/sourcemap-codec@^1.4.10", "@jridgewell/sourcemap-codec@^1.4.15": version "1.4.15" resolved "https://registry.npmjs.org/@jridgewell/sourcemap-codec/-/sourcemap-codec-1.4.15.tgz" integrity sha512-eF2rxCRulEKXHTRiDrDy6erMYWqNw4LPdQ8UQA4huuxaQsVeRPFl2oM8oDGxMFhJUWZf9McpLtJasDDZb/Bpeg== @@ -1662,18 +1662,6 @@ dependencies: "@babel/runtime" "^7.13.10" -"@radix-ui/react-dismissable-layer@1.0.4": - version "1.0.4" - resolved "https://registry.npmjs.org/@radix-ui/react-dismissable-layer/-/react-dismissable-layer-1.0.4.tgz" - integrity sha512-7UpBa/RKMoHJYjie1gkF1DlK8l1fdU/VKDpoS3rCCo8YBJR294GwcEHyxHw72yvphJ7ld0AXEcSLAzY2F/WyCg== - dependencies: - "@babel/runtime" "^7.13.10" - "@radix-ui/primitive" "1.0.1" - "@radix-ui/react-compose-refs" "1.0.1" - "@radix-ui/react-primitive" "1.0.3" - "@radix-ui/react-use-callback-ref" "1.0.1" - "@radix-ui/react-use-escape-keydown" "1.0.3" - "@radix-ui/react-dismissable-layer@1.0.5": version "1.0.5" resolved "https://registry.npmjs.org/@radix-ui/react-dismissable-layer/-/react-dismissable-layer-1.0.5.tgz" @@ -1693,16 +1681,6 @@ dependencies: "@babel/runtime" "^7.13.10" -"@radix-ui/react-focus-scope@1.0.3": - version "1.0.3" - resolved "https://registry.npmjs.org/@radix-ui/react-focus-scope/-/react-focus-scope-1.0.3.tgz" - integrity sha512-upXdPfqI4islj2CslyfUBNlaJCPybbqRHAi1KER7Isel9Q2AtSJ0zRBZv8mWQiFXD2nyAJ4BhC3yXgZ6kMBSrQ== - dependencies: - "@babel/runtime" "^7.13.10" - 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openchemlib@>=8, openchemlib@>=8.6.2: + version "8.7.2" + resolved "https://registry.npmjs.org/openchemlib/-/openchemlib-8.7.2.tgz" + integrity sha512-k7LGea1GRLewzO9REarAVrP62hZgImxDZRIU6p29utmYiXL56OmlVMVoTG3FqEule+yx/p96yzv9qYladSC3SA== optionator@^0.9.3: version "0.9.3" @@ -6900,7 +6702,7 @@ peaks-similarity@^3.1.1: dependencies: ml-stat "^1.3.3" -peptide@^2.0.0, peptide@^2.1.1: +peptide@^2.1.1: version "2.1.1" resolved "https://registry.npmjs.org/peptide/-/peptide-2.1.1.tgz" integrity sha512-jyEVVMQbjOwv+S2y+zKl9nrrwMsVioPuUmSwlex9DBAbq04ext3QFkazg/o+fgdCldhAcCh5H1Lh9UR6ABU8ew== @@ -7074,7 +6876,7 @@ react-d3-utils@^1.0.0: d3-scale "^4.0.2" use-resize-observer "^9.0.2" -react-dom@*, "react-dom@^16 || ^17 || ^18", "react-dom@^16.13.1 || ^17.0.0 || ^18.0.0", "react-dom@^16.8 || ^17.0 || ^18.0", "react-dom@^16.8 || 17 || 18", "react-dom@^16.8.0 || ^17.0.0 || ^18.0.0", "react-dom@^16.8.0 || ^17 || ^18", "react-dom@^16.8.0 || ^17.0.0 || ^18.0.0", react-dom@^18.2.0, "react-dom@>= 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-react-icons@^4.10.1, react-icons@^4.11.0, react-icons@^4.12.0: +react-icons@^4.12.0: version "4.12.0" resolved "https://registry.npmjs.org/react-icons/-/react-icons-4.12.0.tgz" integrity sha512-IBaDuHiShdZqmfc/TwHu6+d6k2ltNCf3AszxNmjJc1KUfXdEeRJOKyNvLmAHaarhzGmTSVygNdyu8/opXv2gaw== @@ -7227,47 +7029,6 @@ react-router@6.21.0: dependencies: "@remix-run/router" "1.14.0" -react-science@^0.27.0: - version "0.27.0" - resolved "https://registry.npmjs.org/react-science/-/react-science-0.27.0.tgz" - integrity sha512-x7CSIV0BJLHy3GZAKZ31STB6S+MWdRvrXRUhs2w9/JHJ5xONjmGdEB4SqG8YMDEl2u5Pij4vb2YJEd++cyVuVg== - dependencies: - "@emotion/react" "^11.11.1" - "@emotion/styled" "^11.11.0" - "@headlessui/react" "^1.7.16" - "@lukeed/uuid" "^2.0.1" - "@popperjs/core" "^2.11.8" - "@radix-ui/react-checkbox" "^1.0.4" - "@radix-ui/react-radio-group" "^1.1.3" - "@radix-ui/react-select" "^1.2.2" - "@tanstack/react-query" "^4.32.6" - "@tanstack/react-table" "^8.9.3" - biologic-converter "^0.6.0" - cheminfo-types "^1.7.2" - d3-scale-chromatic "^3.0.0" - filelist-utils "^1.10.1" - immer "^10.0.2" - jcampconverter "^9.1.1" - lodash "^4.17.21" - ml-gsd "^12.1.3" - ml-peak-shape-generator "^4.1.2" - ml-signal-processing "^1.0.3" - ml-spectra-processing "^12.5.0" - ms-spectrum "^2.4.2" - netcdfjs "^2.0.2" - react-d3-utils "^1.0.0" - react-dropzone "^14.2.3" - react-error-boundary "^4.0.11" - react-icons "^4.10.1" - react-inspector "^6.0.2" - react-kbs "^2.1.1" - react-plot "^1.4.2" - react-popper "^2.3.0" - spc-parser "^0.7.2" - tinycolor2 "^1.6.0" - use-resize-observer "^9.1.0" - wdf-parser "^0.3.0" - react-science@^0.32.1: version "0.32.1" resolved "https://registry.npmjs.org/react-science/-/react-science-0.32.1.tgz" @@ -7357,10 +7118,10 @@ react-universal-interface@^0.6.2: resolved "https://registry.npmjs.org/react-universal-interface/-/react-universal-interface-0.6.2.tgz" integrity sha512-dg8yXdcQmvgR13RIlZbTRQOoUrDciFVoSBZILwjE2LFISxZZ8loVJKAkuzswl5js8BHda79bIb2b84ehU8IjXw== -react-use@^17.4.0: - version "17.4.0" - resolved "https://registry.npmjs.org/react-use/-/react-use-17.4.0.tgz" - integrity sha512-TgbNTCA33Wl7xzIJegn1HndB4qTS9u03QUwyNycUnXaweZkE4Kq2SB+Yoxx8qbshkZGYBDvUXbXWRUmQDcZZ/Q== +react-use@^17.4.2: + version "17.4.2" + resolved "https://registry.npmjs.org/react-use/-/react-use-17.4.2.tgz" + integrity sha512-1jPtmWLD8OJJNYCdYLJEH/HM+bPDfJuyGwCYeJFgPmWY8ttwpgZnW5QnzgM55CYUByUiTjHxsGOnEpLl6yQaoQ== dependencies: "@types/js-cookie" "^2.2.6" "@xobotyi/scrollbar-width" "^1.9.5" @@ -7368,7 +7129,7 @@ react-use@^17.4.0: fast-deep-equal "^3.1.3" fast-shallow-equal "^1.0.0" js-cookie "^2.2.1" - nano-css "^5.3.1" + nano-css "^5.6.1" react-universal-interface "^0.6.2" resize-observer-polyfill "^1.5.1" screenfull "^5.1.0" @@ -7377,7 +7138,7 @@ react-use@^17.4.0: ts-easing "^0.2.0" tslib "^2.1.0" -react@*, "react@^16 || ^17 || ^18", "react@^16.13.1 || ^17.0.0 || ^18.0.0", "react@^16.8 || ^17.0 || ^18.0", "react@^16.8 || 17 || 18", "react@^16.8.0 || ^17.0.0 || ^18.0.0", "react@^16.8.0 || ^17 || ^18", "react@^16.8.0 || ^17.0.0 || ^18.0.0", "react@^16.8.3 || ^17.0.0-0 || ^18.0.0", "react@^16.8.4 || ^17.0.0 || ^18.0.0", react@^18.0.0, react@^18.2.0, "react@>= 16.3.0", "react@>= 16.8 || 18.0.0", react@>=16, react@>=16.13.1, react@>=16.3.0, react@>=16.6.0, react@>=16.8, react@>=16.8.0, react@>=18, react@>=18.0.0, "react@16.8.0 - 18": +react@*, "react@^16 || ^17 || ^18", "react@^16.13.1 || ^17.0.0 || ^18.0.0", "react@^16.8 || ^17.0 || ^18.0", "react@^16.8 || 17 || 18", "react@^16.8.0 || ^17 || ^18", "react@^16.8.0 || ^17.0.0 || ^18.0.0", "react@^16.8.3 || ^17.0.0-0 || ^18.0.0", "react@^16.8.4 || ^17.0.0 || ^18.0.0", react@^18.0.0, react@^18.2.0, "react@>= 16.3.0", "react@>= 16.8 || 18.0.0", react@>=16, react@>=16.13.1, react@>=16.3.0, react@>=16.6.0, react@>=16.8, react@>=16.8.0, react@>=18, react@>=18.0.0, "react@16.8.0 - 18": version "18.2.0" resolved "https://registry.npmjs.org/react/-/react-18.2.0.tgz" integrity sha512-/3IjMdb2L9QbBdWiW5e3P2/npwMBaU9mHCSCUzNln0ZCYbcfTsGbTJrU/kGemdH2IWmB2ioZ+zkxtmq6g09fGQ== @@ -7615,7 +7376,7 @@ rollup@^4.2.0: "@rollup/rollup-win32-x64-msvc" "4.5.0" fsevents "~2.3.2" -rtl-css-js@^1.14.0: +rtl-css-js@^1.16.1: version "1.16.1" resolved "https://registry.npmjs.org/rtl-css-js/-/rtl-css-js-1.16.1.tgz" integrity sha512-lRQgou1mu19e+Ya0LsTvKrVJ5TYUbqCVPAiImX3UfLTenarvPUl1QFdvu5Z3PYmHT9RCcwIfbjRQBntExyj3Zg== @@ -7868,7 +7629,7 @@ sourcemap-codec@^1.4.8: resolved "https://registry.npmjs.org/sourcemap-codec/-/sourcemap-codec-1.4.8.tgz" integrity sha512-9NykojV5Uih4lgo5So5dtw+f0JgJX30KCNI8gwhz2J9A15wD0Ml6tjHKwf6fTSa6fAdVBdZeNOs9eJ71qCk8vA== -spc-parser@^0.7.2, spc-parser@^0.7.3: +spc-parser@^0.7.3: version "0.7.3" resolved "https://registry.npmjs.org/spc-parser/-/spc-parser-0.7.3.tgz" integrity sha512-zXO0BmMmfscb3IcYlhngQkF4gYcarCAfYoiJnICTNs0omPALfTVFoZz9EztB9NC82Hp24Y+k+QXToFgtg10YHw== @@ -8110,7 +7871,12 @@ strip-json-comments@~2.0.1: resolved "https://registry.npmjs.org/strip-json-comments/-/strip-json-comments-2.0.1.tgz" integrity sha512-4gB8na07fecVVkOI6Rs4e7T6NOTki5EmL7TUduTs6bu3EdnSycntVJ4re8kgZA+wx9IueI2Y11bfbgwtzuE0KQ== -stylis@^4.0.6, stylis@4.2.0: +stylis@^4.3.0: + version "4.3.0" + resolved "https://registry.npmjs.org/stylis/-/stylis-4.3.0.tgz" + integrity sha512-E87pIogpwUsUwXw7dNyU4QDjdgVMy52m+XEOPEKUn161cCzWjjhPSQhByfd1CcNvrOLnXQ6OnnZDwnJrz/Z4YQ== + +stylis@4.2.0: version "4.2.0" resolved "https://registry.npmjs.org/stylis/-/stylis-4.2.0.tgz" integrity sha512-Orov6g6BB1sDfYgzWfTHDOxamtX1bE/zo104Dh9e6fqJ3PooipYyfJ0pUmrZO2wAvO8YbEyeFrkV91XTsGMSrw== @@ -8486,11 +8252,6 @@ use-sidecar@^1.1.2: detect-node-es "^1.1.0" tslib "^2.0.0" -use-sync-external-store@^1.2.0: - version "1.2.0" - resolved "https://registry.npmjs.org/use-sync-external-store/-/use-sync-external-store-1.2.0.tgz" - integrity sha512-eEgnFxGQ1Ife9bzYs6VLi8/4X6CObHMw9Qr9tPY43iKwsPw8xE8+EFsf/2cFZ5S3esXgpWgtSCtLNS41F+sKPA== - util-deprecate@~1.0.1: version "1.0.2" resolved "https://registry.npmjs.org/util-deprecate/-/util-deprecate-1.0.2.tgz" From 9f1c6f83c6f48f9d43cc6220692fb896d545a241 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Tue, 19 Dec 2023 15:30:22 +0100 Subject: [PATCH 18/19] chore: update dependencies --- package-lock.json | 48 +++++++++++++++++++++++------------------------ package.json | 10 +++++----- yarn.lock | 42 ++++++++++++++++++++--------------------- 3 files changed, 50 insertions(+), 50 deletions(-) diff --git a/package-lock.json b/package-lock.json index e02165b..92252d1 100644 --- a/package-lock.json +++ b/package-lock.json @@ -26,13 +26,13 @@ "@playwright/test": "^1.40.1", "@simbathesailor/use-what-changed": "^2.0.0", "@types/jest": "^29.5.11", - "@types/node": "^20.10.4", + "@types/node": "^20.10.5", "@types/react": "^18.2.45", - "@types/react-dom": "^18.2.17", + "@types/react-dom": "^18.2.18", "@types/react-router-dom": "^5.3.3", "@vitejs/plugin-react-swc": "^3.5.0", "cross-env": "^7.0.3", - "eslint": "^8.55.0", + "eslint": "^8.56.0", "eslint-config-cheminfo-react": "^10.1.0", "eslint-config-cheminfo-typescript": "^12.1.0", "jest": "^29.7.0", @@ -42,7 +42,7 @@ "react-router-dom": "^6.21.0", "serve": "^14.2.1", "typescript": "^5.3.3", - "vite": "^5.0.8" + "vite": "^5.0.10" } }, "node_modules/@aashutoshrathi/word-wrap": { @@ -2393,9 +2393,9 @@ } }, "node_modules/@eslint/js": { - "version": "8.55.0", - "resolved": "https://registry.npmjs.org/@eslint/js/-/js-8.55.0.tgz", - "integrity": "sha512-qQfo2mxH5yVom1kacMtZZJFVdW+E70mqHMJvVg6WTLo+VBuQJ4TojZlfWBjK0ve5BdEeNAVxOsl/nvNMpJOaJA==", + "version": "8.56.0", + "resolved": "https://registry.npmjs.org/@eslint/js/-/js-8.56.0.tgz", + "integrity": "sha512-gMsVel9D7f2HLkBma9VbtzZRehRogVRfbr++f06nL2vnCGCNlzOD+/MUov/F4p8myyAHspEhVobgjpX64q5m6A==", "engines": { "node": "^12.22.0 || ^14.17.0 || >=16.0.0" } @@ -4567,9 +4567,9 @@ } }, "node_modules/@types/node": { - "version": "20.10.4", - "resolved": 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@@ -7363,14 +7363,14 @@ } }, "node_modules/eslint": { - "version": "8.55.0", - "resolved": "https://registry.npmjs.org/eslint/-/eslint-8.55.0.tgz", - "integrity": "sha512-iyUUAM0PCKj5QpwGfmCAG9XXbZCWsqP/eWAWrG/W0umvjuLRBECwSFdt+rCntju0xEH7teIABPwXpahftIaTdA==", + "version": "8.56.0", + "resolved": "https://registry.npmjs.org/eslint/-/eslint-8.56.0.tgz", + "integrity": "sha512-Go19xM6T9puCOWntie1/P997aXxFsOi37JIHRWI514Hc6ZnaHGKY9xFhrU65RT6CcBEzZoGG1e6Nq+DT04ZtZQ==", "dependencies": { "@eslint-community/eslint-utils": "^4.2.0", "@eslint-community/regexpp": "^4.6.1", "@eslint/eslintrc": "^2.1.4", - "@eslint/js": "8.55.0", + "@eslint/js": "8.56.0", "@humanwhocodes/config-array": "^0.11.13", "@humanwhocodes/module-importer": "^1.0.1", "@nodelib/fs.walk": "^1.2.8", @@ -13543,9 +13543,9 @@ } }, "node_modules/react-science": { - "version": "0.32.1", - "resolved": "https://registry.npmjs.org/react-science/-/react-science-0.32.1.tgz", - "integrity": 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a/package.json b/package.json index a94d7b9..2d1192e 100644 --- a/package.json +++ b/package.json @@ -44,13 +44,13 @@ "@playwright/test": "^1.40.1", "@simbathesailor/use-what-changed": "^2.0.0", "@types/jest": "^29.5.11", - "@types/node": "^20.10.4", + "@types/node": "^20.10.5", "@types/react": "^18.2.45", - "@types/react-dom": "^18.2.17", + "@types/react-dom": "^18.2.18", "@types/react-router-dom": "^5.3.3", "@vitejs/plugin-react-swc": "^3.5.0", "cross-env": "^7.0.3", - "eslint": "^8.55.0", + "eslint": "^8.56.0", "eslint-config-cheminfo-react": "^10.1.0", "eslint-config-cheminfo-typescript": "^12.1.0", "jest": "^29.7.0", @@ -60,6 +60,6 @@ "react-router-dom": "^6.21.0", "serve": "^14.2.1", "typescript": "^5.3.3", - "vite": "^5.0.8" + "vite": "^5.0.10" } -} +} \ No newline at end of file diff --git a/yarn.lock b/yarn.lock index 99c0ccd..9a7f9c9 100644 --- a/yarn.lock +++ b/yarn.lock @@ -1227,10 +1227,10 @@ minimatch "^3.1.2" strip-json-comments "^3.1.1" -"@eslint/js@8.55.0": - version 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+ version "20.10.5" + resolved "https://registry.npmjs.org/@types/node/-/node-20.10.5.tgz" + integrity sha512-nNPsNE65wjMxEKI93yOP+NPGGBJz/PoN3kZsVLee0XMiJolxSekEVD8wRwBUBqkwc7UWop0edW50yrCQW4CyRw== dependencies: undici-types "~5.26.4" @@ -2163,10 +2163,10 @@ resolved "https://registry.npmjs.org/@types/prop-types/-/prop-types-15.7.5.tgz" integrity sha512-JCB8C6SnDoQf0cNycqd/35A7MjcnK+ZTqE7judS6o7utxUCg6imJg3QK2qzHKszlTjcj2cn+NwMB2i96ubpj7w== -"@types/react-dom@*", "@types/react-dom@^18.2.17": - version "18.2.17" - resolved "https://registry.npmjs.org/@types/react-dom/-/react-dom-18.2.17.tgz" - integrity sha512-rvrT/M7Df5eykWFxn6MYt5Pem/Dbyc1N8Y0S9Mrkw2WFCRiqUgw9P7ul2NpwsXCSM1DVdENzdG9J5SreqfAIWg== +"@types/react-dom@*", "@types/react-dom@^18.2.18": + version "18.2.18" + resolved "https://registry.npmjs.org/@types/react-dom/-/react-dom-18.2.18.tgz" + integrity sha512-TJxDm6OfAX2KJWJdMEVTwWke5Sc/E/RlnPGvGfS0W7+6ocy2xhDVQVh/KvC2Uf7kACs+gDytdusDSdWfWkaNzw== dependencies: "@types/react" "*" @@ -3953,15 +3953,15 @@ eslint-visitor-keys@^3.3.0, eslint-visitor-keys@^3.4.1, eslint-visitor-keys@^3.4 resolved "https://registry.npmjs.org/eslint-visitor-keys/-/eslint-visitor-keys-3.4.3.tgz" integrity sha512-wpc+LXeiyiisxPlEkUzU6svyS1frIO3Mgxj1fdy7Pm8Ygzguax2N3Fa/D/ag1WqbOprdI+uY6wMUl8/a2G+iag== -"eslint@^2 || ^3 || ^4 || ^5 || ^6 || ^7.2.0 || ^8", "eslint@^3 || ^4 || ^5 || ^6 || ^7 || ^8", "eslint@^3.0.0 || ^4.0.0 || ^5.0.0 || ^6.0.0 || ^7.0.0 || ^8.0.0-0", "eslint@^6.0.0 || ^7.0.0 || >=8.0.0", "eslint@^7.0.0 || ^8.0.0", eslint@^8.50.0, eslint@^8.55.0, eslint@>=7, eslint@>=8.52.0: - version "8.55.0" - resolved "https://registry.npmjs.org/eslint/-/eslint-8.55.0.tgz" - integrity sha512-iyUUAM0PCKj5QpwGfmCAG9XXbZCWsqP/eWAWrG/W0umvjuLRBECwSFdt+rCntju0xEH7teIABPwXpahftIaTdA== +"eslint@^2 || ^3 || ^4 || ^5 || ^6 || ^7.2.0 || ^8", "eslint@^3 || ^4 || ^5 || ^6 || ^7 || ^8", "eslint@^3.0.0 || ^4.0.0 || ^5.0.0 || ^6.0.0 || ^7.0.0 || ^8.0.0-0", "eslint@^6.0.0 || ^7.0.0 || >=8.0.0", "eslint@^7.0.0 || ^8.0.0", eslint@^8.50.0, eslint@^8.55.0, eslint@^8.56.0, eslint@>=7, eslint@>=8.52.0: + version "8.56.0" + resolved "https://registry.npmjs.org/eslint/-/eslint-8.56.0.tgz" + integrity sha512-Go19xM6T9puCOWntie1/P997aXxFsOi37JIHRWI514Hc6ZnaHGKY9xFhrU65RT6CcBEzZoGG1e6Nq+DT04ZtZQ== dependencies: "@eslint-community/eslint-utils" "^4.2.0" "@eslint-community/regexpp" "^4.6.1" "@eslint/eslintrc" "^2.1.4" - "@eslint/js" "8.55.0" + "@eslint/js" "8.56.0" "@humanwhocodes/config-array" "^0.11.13" "@humanwhocodes/module-importer" "^1.0.1" "@nodelib/fs.walk" "^1.2.8" @@ -8299,10 +8299,10 @@ vite-plugin-pwa@^0.17.4: workbox-build "^7.0.0" workbox-window "^7.0.0" -"vite@^3.1.0 || ^4.0.0 || ^5.0.0", "vite@^4 || ^5", vite@^5.0.8: - version "5.0.8" - resolved "https://registry.npmjs.org/vite/-/vite-5.0.8.tgz" - integrity sha512-jYMALd8aeqR3yS9xlHd0OzQJndS9fH5ylVgWdB+pxTwxLKdO1pgC5Dlb398BUxpfaBxa4M9oT7j1g503Gaj5IQ== +"vite@^3.1.0 || ^4.0.0 || ^5.0.0", "vite@^4 || ^5", vite@^5.0.10: + version "5.0.10" + resolved "https://registry.npmjs.org/vite/-/vite-5.0.10.tgz" + integrity sha512-2P8J7WWgmc355HUMlFrwofacvr98DAjoE52BfdbwQtyLH06XKwaL/FMnmKM2crF0iX4MpmMKoDlNCB1ok7zHCw== dependencies: esbuild "^0.19.3" postcss "^8.4.32" From 2e609dff99ea36a2ce87997bfbc3aa51037246b9 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Tue, 19 Dec 2023 15:33:07 +0100 Subject: [PATCH 19/19] feat: update NMRium to version 0.46.1 --- package-lock.json | 89 +++++++++++++++++++++++++++------------------- package.json | 6 ++-- yarn.lock | 90 +++++++++++++++++++++++------------------------ 3 files changed, 101 insertions(+), 84 deletions(-) diff --git a/package-lock.json b/package-lock.json index 92252d1..ca6243d 100644 --- a/package-lock.json +++ b/package-lock.json @@ -14,9 +14,9 @@ "@emotion/react": "^11.11.1", "filelist-utils": "^1.10.2", "nmr-load-save": "^0.23.11", - "nmr-processing": "^11.6.1", - "nmrium": "^0.46.0", - "react-science": "^0.32.1", + "nmr-processing": "^11.7.0", + "nmrium": "^0.46.1", + "react-science": "^0.32.2", "vite-plugin-pwa": "^0.17.4" }, "devDependencies": { @@ -5739,15 +5739,15 @@ } }, "node_modules/brukerconverter": { - "version": "6.3.2", - "resolved": "https://registry.npmjs.org/brukerconverter/-/brukerconverter-6.3.2.tgz", - "integrity": "sha512-+sR1s3uOuZSkxxW06WmHn0X10HFVngRG1a+/4FUZmWypUEFtD+W/7OyNBK3if/1Kx6hX2oJrkL1xwCNH/srwKg==", + "version": "6.3.3", + "resolved": "https://registry.npmjs.org/brukerconverter/-/brukerconverter-6.3.3.tgz", + "integrity": "sha512-CrQAObLXjes3b52+aijgDViwrDEfdXbpLlaDWPaTfou/o1t17xNneLJ39OTWkk3kwq5ViwVqwspg54SMLlaiEw==", "dependencies": { "cheminfo-types": "^1.5.0", "filelist-utils": "^1.8.0", "iobuffer": "^5.3.2", "is-any-array": "^2.0.0", - "jcampconverter": "^9.1.0", + "jcampconverter": "^9.5.1", "ml-spectra-processing": "^12.0.0" } }, @@ -9546,9 +9546,9 @@ } }, "node_modules/jcampconverter": { - "version": "9.5.0", - "resolved": "https://registry.npmjs.org/jcampconverter/-/jcampconverter-9.5.0.tgz", - "integrity": "sha512-xsuZXcUd+YkF0Rlt0IZa1+4XbMYq/fR6+gewwDJd5M17y2+SbjrgESKZH73+GokzLC7H1KTS0/l5/7cQFFLgiA==", + "version": "9.5.1", + "resolved": "https://registry.npmjs.org/jcampconverter/-/jcampconverter-9.5.1.tgz", + "integrity": "sha512-eipBZESmpQ07t+NspwYT8Wf0wuST/y1fBixIOln7RvJ8JQgsnWIyiWedxvtscuBCXNdsrJVJkhvP25SVNTa5cQ==", "dependencies": { "cheminfo-types": "^1.7.2", "dynamic-typing": "^1.0.0", @@ -11747,9 +11747,9 @@ } }, "node_modules/ml-airpls": { - "version": "1.0.2", - "resolved": "https://registry.npmjs.org/ml-airpls/-/ml-airpls-1.0.2.tgz", - "integrity": "sha512-LbQu28am8XUHr54TWOh8Rz6edC6KRA5pjJ83F6J6/0a5QrZrh0ioEukfv3d9WeeUDzdczNLbdkU5hJvICCVacA==", + "version": "1.0.3", + "resolved": "https://registry.npmjs.org/ml-airpls/-/ml-airpls-1.0.3.tgz", + "integrity": "sha512-U6D0ahNuCxgfu/bb415tJMAXdtC+5cysUNAS3bWZWQCwQR53vNjby9MJN+6muBiDz6XQk0lULkg+PsW1N+OG6g==", "dependencies": { "cuthill-mckee": "^1.0.0" } @@ -12285,25 +12285,25 @@ } }, "node_modules/nmr-processing": { - "version": "11.6.1", - "resolved": "https://registry.npmjs.org/nmr-processing/-/nmr-processing-11.6.1.tgz", - "integrity": "sha512-NA6uoFbqkqFdrEoEKf3KLeh22opI7torSBi017n4Sqc/jis5/A7MpgunmHVxFYo09BDBIwKM4YvWur86NKXBUw==", + "version": "11.7.0", + "resolved": "https://registry.npmjs.org/nmr-processing/-/nmr-processing-11.7.0.tgz", + "integrity": "sha512-wws8YO5M9UOE+HFxLUtcRJR/nH8InrKCWvX2Hejo8xeuA1oODrkW4TauyfPzXDK1fmqJ82U9ou78H+55alqShw==", "dependencies": { "@lukeed/uuid": "^2.0.1", "binary-search": "^1.3.6", "cross-fetch": "^4.0.0", "form-data": "^4.0.0", - "gyromagnetic-ratio": "^1.1.0", + "gyromagnetic-ratio": "^1.1.1", "is-any-array": "^2.0.1", "linear-sum-assignment": "^1.0.5", "lodash.omit": "^4.5.0", - "ml-airpls": "^1.0.2", + "ml-airpls": "^1.0.3", "ml-baseline-correction-regression": "^1.0.2", "ml-direct": "^0.1.3", "ml-gsd": "^12.1.3", "ml-hclust": "^3.1.0", "ml-levenberg-marquardt": "^4.1.3", - 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