diff --git a/Dockerfile.dev b/Dockerfile.dev
index 86e1804..df418e0 100644
--- a/Dockerfile.dev
+++ b/Dockerfile.dev
@@ -1,5 +1,5 @@
# build environment
-FROM node:22-alpine3.18 AS build
+FROM node:24-alpine3.22 AS build
WORKDIR /app
ENV PATH /app/node_modules/.bin:$PATH
diff --git a/Dockerfile.prod b/Dockerfile.prod
index b882077..e51ecbb 100644
--- a/Dockerfile.prod
+++ b/Dockerfile.prod
@@ -1,5 +1,5 @@
# Build stage
-FROM node:22-alpine3.18 AS builder
+FROM node:24-alpine3.22 AS builder
# Declare build argument
ARG RELEASE_VERSION
diff --git a/package-lock.json b/package-lock.json
index f6cd082..188dcc1 100644
--- a/package-lock.json
+++ b/package-lock.json
@@ -9,73 +9,50 @@
"version": "1.1.0",
"license": "MIT",
"dependencies": {
- "@blueprintjs/core": "^6.2.1",
- "@blueprintjs/icons": "^6.1.0",
- "@blueprintjs/select": "^6.0.3",
+ "@blueprintjs/core": "^6.12.1",
+ "@blueprintjs/icons": "^6.9.1",
+ "@blueprintjs/select": "^6.1.10",
"@emotion/styled": "^11.14.1",
- "@vitejs/plugin-react": "^5.0.2",
- "@zakodium/nmrium-core": "^0.1.7",
- "@zakodium/nmrium-core-plugins": "^0.1.10",
+ "@vitejs/plugin-react": "^6.0.1",
+ "@zakodium/nmrium-core": "^0.7.16",
+ "@zakodium/nmrium-core-plugins": "^0.7.20",
"fifo-logger": "^2.0.1",
"filelist-utils": "^1.11.3",
- "nmr-processing": "^19.1.0",
- "nmrium": "^1.3.0",
- "openchemlib": "^9.7.0",
- "react-science": "^19.1.0"
+ "nmr-processing": "^22.10.0",
+ "nmrium": "^2.1.0",
+ "openchemlib": "^9.22.1",
+ "react-science": "^19.11.0"
},
"devDependencies": {
- "@babel/plugin-transform-modules-commonjs": "^7.27.1",
- "@babel/preset-react": "^7.27.1",
- "@babel/preset-typescript": "^7.27.1",
- "@playwright/test": "^1.55.0",
+ "@babel/plugin-transform-modules-commonjs": "^7.28.6",
+ "@babel/preset-react": "^7.28.5",
+ "@babel/preset-typescript": "^7.28.5",
+ "@playwright/test": "^1.59.1",
"@simbathesailor/use-what-changed": "^2.0.0",
"@types/jest": "^30.0.0",
- "@types/node": "^24.3.0",
+ "@types/node": "^25.6.0",
"@types/react": "^18.3.3",
"@types/react-dom": "^18.3.0",
"@types/react-router-dom": "^5.3.3",
- "cross-env": "^10.0.0",
- "eslint": "^9.34.0",
- "eslint-config-cheminfo-react": "^17.0.1",
- "eslint-config-cheminfo-typescript": "^19.0.0",
- "jest": "^30.1.3",
- "prettier": "3.6.2",
+ "cross-env": "^10.1.0",
+ "eslint": "^9.39.2",
+ "eslint-config-cheminfo-react": "^20.0.1",
+ "eslint-config-cheminfo-typescript": "^22.0.0",
+ "jest": "^30.3.0",
+ "prettier": "3.8.3",
"react": "^18.3.1",
"react-dom": "^18.3.1",
- "react-router-dom": "^7.8.2",
- "serve": "^14.2.4",
- "typescript": "^5.9.2",
- "vite": "^7.1.4",
- "vite-plugin-pwa": "^1.0.3"
- }
- },
- "node_modules/@aashutoshrathi/word-wrap": {
- "version": "1.2.6",
- "resolved": "https://registry.npmjs.org/@aashutoshrathi/word-wrap/-/word-wrap-1.2.6.tgz",
- "integrity": "sha512-1Yjs2SvM8TflER/OD3cOjhWWOZb58A2t7wpE2S9XfBYTiIl+XFhQG2bjy4Pu1I+EAlCNUzRDYDdFwFYUKvXcIA==",
- "dev": true,
- "license": "MIT",
- "engines": {
- "node": ">=0.10.0"
- }
- },
- "node_modules/@ampproject/remapping": {
- "version": "2.2.1",
- "resolved": "https://registry.npmjs.org/@ampproject/remapping/-/remapping-2.2.1.tgz",
- "integrity": "sha512-lFMjJTrFL3j7L9yBxwYfCq2k6qqwHyzuUl/XBnif78PWTJYyL/dfowQHWE3sp6U6ZzqWiiIZnpTMO96zhkjwtg==",
- "license": "Apache-2.0",
- "dependencies": {
- "@jridgewell/gen-mapping": "^0.3.0",
- "@jridgewell/trace-mapping": "^0.3.9"
- },
- "engines": {
- "node": ">=6.0.0"
+ "react-router-dom": "^7.14.2",
+ "serve": "^14.2.6",
+ "typescript": "^6.0.3",
+ "vite": "^8.0.10",
+ "vite-plugin-pwa": "https://pkg.pr.new/vite-plugin-pwa@924"
}
},
"node_modules/@atlaskit/pragmatic-drag-and-drop": {
- "version": "1.7.4",
- "resolved": "https://registry.npmjs.org/@atlaskit/pragmatic-drag-and-drop/-/pragmatic-drag-and-drop-1.7.4.tgz",
- "integrity": "sha512-lZHnO9BJdHPKnwB0uvVUCyDnIhL+WAHzXQ2EXX0qacogOsnvIUiCgY0BLKhBqTCWln3/f/Ox5jU54MKO6ayh9A==",
+ "version": "1.8.1",
+ "resolved": "https://registry.npmjs.org/@atlaskit/pragmatic-drag-and-drop/-/pragmatic-drag-and-drop-1.8.1.tgz",
+ "integrity": "sha512-uXWNPpL8n4OmTVbduH7nq8pk8htqGo/prR5cYEE8sVCPJGAUMWn6lzvWTfI+4VCeQvHiDRODVz4YzH06OVAxhw==",
"license": "Apache-2.0",
"dependencies": {
"@babel/runtime": "^7.0.0",
@@ -84,9 +61,9 @@
}
},
"node_modules/@atlaskit/pragmatic-drag-and-drop-auto-scroll": {
- "version": "2.1.1",
- "resolved": "https://registry.npmjs.org/@atlaskit/pragmatic-drag-and-drop-auto-scroll/-/pragmatic-drag-and-drop-auto-scroll-2.1.1.tgz",
- "integrity": "sha512-VAQEb3NVLY9Q5ZgC5Eiws9Uf6xOINY9/pAZMdbOVlF90uRXEkmpYqdTL+zeyZ8U8deuqYCmXr7oWIEnxpNQVzA==",
+ "version": "2.1.5",
+ "resolved": "https://registry.npmjs.org/@atlaskit/pragmatic-drag-and-drop-auto-scroll/-/pragmatic-drag-and-drop-auto-scroll-2.1.5.tgz",
+ "integrity": "sha512-InLvVhZAHPBfv3CxuG4AfOQuhNJjaFy69YBfodPMWtRFQNQAKa9Yb3vL9Ho6qsD9qKUBuJa4A5k7QddaXQ4Eyw==",
"license": "Apache-2.0",
"dependencies": {
"@atlaskit/pragmatic-drag-and-drop": "^1.7.0",
@@ -104,12 +81,12 @@
}
},
"node_modules/@babel/code-frame": {
- "version": "7.27.1",
- "resolved": "https://registry.npmjs.org/@babel/code-frame/-/code-frame-7.27.1.tgz",
- "integrity": "sha512-cjQ7ZlQ0Mv3b47hABuTevyTuYN4i+loJKGeV9flcCgIK37cCXRh+L1bd3iBHlynerhQ7BhCkn2BPbQUL+rGqFg==",
+ "version": "7.29.0",
+ "resolved": "https://registry.npmjs.org/@babel/code-frame/-/code-frame-7.29.0.tgz",
+ "integrity": "sha512-9NhCeYjq9+3uxgdtp20LSiJXJvN0FeCtNGpJxuMFZ1Kv3cWUNb6DOhJwUvcVCzKGR66cw4njwM6hrJLqgOwbcw==",
"license": "MIT",
"dependencies": {
- "@babel/helper-validator-identifier": "^7.27.1",
+ "@babel/helper-validator-identifier": "^7.28.5",
"js-tokens": "^4.0.0",
"picocolors": "^1.1.1"
},
@@ -118,30 +95,33 @@
}
},
"node_modules/@babel/compat-data": {
- "version": "7.28.0",
- "resolved": "https://registry.npmjs.org/@babel/compat-data/-/compat-data-7.28.0.tgz",
- "integrity": "sha512-60X7qkglvrap8mn1lh2ebxXdZYtUcpd7gsmy9kLaBJ4i/WdY8PqTSdxyA8qraikqKQK5C1KRBKXqznrVapyNaw==",
+ "version": "7.29.3",
+ "resolved": "https://registry.npmjs.org/@babel/compat-data/-/compat-data-7.29.3.tgz",
+ "integrity": "sha512-LIVqM46zQWZhj17qA8wb4nW/ixr2y1Nw+r1etiAWgRM6U1IqP+LNhL1yg440jYZR72jCWcWbLWzIosH+uP1fqg==",
+ "dev": true,
"license": "MIT",
"engines": {
"node": ">=6.9.0"
}
},
"node_modules/@babel/core": {
- "version": "7.28.3",
- "resolved": "https://registry.npmjs.org/@babel/core/-/core-7.28.3.tgz",
- "integrity": "sha512-yDBHV9kQNcr2/sUr9jghVyz9C3Y5G2zUM2H2lo+9mKv4sFgbA8s8Z9t8D1jiTkGoO/NoIfKMyKWr4s6CN23ZwQ==",
+ "version": "7.29.0",
+ "resolved": "https://registry.npmjs.org/@babel/core/-/core-7.29.0.tgz",
+ "integrity": "sha512-CGOfOJqWjg2qW/Mb6zNsDm+u5vFQ8DxXfbM09z69p5Z6+mE1ikP2jUXw+j42Pf1XTYED2Rni5f95npYeuwMDQA==",
+ "dev": true,
"license": "MIT",
+ "peer": true,
"dependencies": {
- "@ampproject/remapping": "^2.2.0",
- "@babel/code-frame": "^7.27.1",
- "@babel/generator": "^7.28.3",
- "@babel/helper-compilation-targets": "^7.27.2",
- "@babel/helper-module-transforms": "^7.28.3",
- "@babel/helpers": "^7.28.3",
- "@babel/parser": "^7.28.3",
- "@babel/template": "^7.27.2",
- "@babel/traverse": "^7.28.3",
- "@babel/types": "^7.28.2",
+ "@babel/code-frame": "^7.29.0",
+ "@babel/generator": "^7.29.0",
+ "@babel/helper-compilation-targets": "^7.28.6",
+ "@babel/helper-module-transforms": "^7.28.6",
+ "@babel/helpers": "^7.28.6",
+ "@babel/parser": "^7.29.0",
+ "@babel/template": "^7.28.6",
+ "@babel/traverse": "^7.29.0",
+ "@babel/types": "^7.29.0",
+ "@jridgewell/remapping": "^2.3.5",
"convert-source-map": "^2.0.0",
"debug": "^4.1.0",
"gensync": "^1.0.0-beta.2",
@@ -157,13 +137,13 @@
}
},
"node_modules/@babel/generator": {
- "version": "7.28.3",
- "resolved": "https://registry.npmjs.org/@babel/generator/-/generator-7.28.3.tgz",
- "integrity": "sha512-3lSpxGgvnmZznmBkCRnVREPUFJv2wrv9iAoFDvADJc0ypmdOxdUtcLeBgBJ6zE0PMeTKnxeQzyk0xTBq4Ep7zw==",
+ "version": "7.29.1",
+ "resolved": "https://registry.npmjs.org/@babel/generator/-/generator-7.29.1.tgz",
+ "integrity": "sha512-qsaF+9Qcm2Qv8SRIMMscAvG4O3lJ0F1GuMo5HR/Bp02LopNgnZBC/EkbevHFeGs4ls/oPz9v+Bsmzbkbe+0dUw==",
"license": "MIT",
"dependencies": {
- "@babel/parser": "^7.28.3",
- "@babel/types": "^7.28.2",
+ "@babel/parser": "^7.29.0",
+ "@babel/types": "^7.29.0",
"@jridgewell/gen-mapping": "^0.3.12",
"@jridgewell/trace-mapping": "^0.3.28",
"jsesc": "^3.0.2"
@@ -186,12 +166,13 @@
}
},
"node_modules/@babel/helper-compilation-targets": {
- "version": "7.27.2",
- "resolved": "https://registry.npmjs.org/@babel/helper-compilation-targets/-/helper-compilation-targets-7.27.2.tgz",
- "integrity": "sha512-2+1thGUUWWjLTYTHZWK1n8Yga0ijBz1XAhUXcKy81rd5g6yh7hGqMp45v7cadSbEHc9G3OTv45SyneRN3ps4DQ==",
+ "version": "7.28.6",
+ "resolved": "https://registry.npmjs.org/@babel/helper-compilation-targets/-/helper-compilation-targets-7.28.6.tgz",
+ "integrity": "sha512-JYtls3hqi15fcx5GaSNL7SCTJ2MNmjrkHXg4FSpOA/grxK8KwyZ5bubHsCq8FXCkua6xhuaaBit+3b7+VZRfcA==",
+ "dev": true,
"license": "MIT",
"dependencies": {
- "@babel/compat-data": "^7.27.2",
+ "@babel/compat-data": "^7.28.6",
"@babel/helper-validator-option": "^7.27.1",
"browserslist": "^4.24.0",
"lru-cache": "^5.1.1",
@@ -202,18 +183,18 @@
}
},
"node_modules/@babel/helper-create-class-features-plugin": {
- "version": "7.27.1",
- "resolved": "https://registry.npmjs.org/@babel/helper-create-class-features-plugin/-/helper-create-class-features-plugin-7.27.1.tgz",
- "integrity": "sha512-QwGAmuvM17btKU5VqXfb+Giw4JcN0hjuufz3DYnpeVDvZLAObloM77bhMXiqry3Iio+Ai4phVRDwl6WU10+r5A==",
+ "version": "7.29.3",
+ "resolved": "https://registry.npmjs.org/@babel/helper-create-class-features-plugin/-/helper-create-class-features-plugin-7.29.3.tgz",
+ "integrity": "sha512-RpLYy2sb51oNLjuu1iD3bwBqCBWUzjO0ocp+iaCP/lJtb2CPLcnC2Fftw+4sAzaMELGeWTgExSKADbdo0GFVzA==",
"dev": true,
"license": "MIT",
"dependencies": {
- "@babel/helper-annotate-as-pure": "^7.27.1",
- "@babel/helper-member-expression-to-functions": "^7.27.1",
+ "@babel/helper-annotate-as-pure": "^7.27.3",
+ "@babel/helper-member-expression-to-functions": "^7.28.5",
"@babel/helper-optimise-call-expression": "^7.27.1",
- "@babel/helper-replace-supers": "^7.27.1",
+ "@babel/helper-replace-supers": "^7.28.6",
"@babel/helper-skip-transparent-expression-wrappers": "^7.27.1",
- "@babel/traverse": "^7.27.1",
+ "@babel/traverse": "^7.29.0",
"semver": "^6.3.1"
},
"engines": {
@@ -224,14 +205,14 @@
}
},
"node_modules/@babel/helper-create-regexp-features-plugin": {
- "version": "7.26.3",
- "resolved": "https://registry.npmjs.org/@babel/helper-create-regexp-features-plugin/-/helper-create-regexp-features-plugin-7.26.3.tgz",
- "integrity": "sha512-G7ZRb40uUgdKOQqPLjfD12ZmGA54PzqDFUv2BKImnC9QIfGhIHKvVML0oN8IUiDq4iRqpq74ABpvOaerfWdong==",
+ "version": "7.28.5",
+ "resolved": "https://registry.npmjs.org/@babel/helper-create-regexp-features-plugin/-/helper-create-regexp-features-plugin-7.28.5.tgz",
+ "integrity": "sha512-N1EhvLtHzOvj7QQOUCCS3NrPJP8c5W6ZXCHDn7Yialuy1iu4r5EmIYkXlKNqT99Ciw+W0mDqWoR6HWMZlFP3hw==",
"dev": true,
"license": "MIT",
"dependencies": {
- "@babel/helper-annotate-as-pure": "^7.25.9",
- "regexpu-core": "^6.2.0",
+ "@babel/helper-annotate-as-pure": "^7.27.3",
+ "regexpu-core": "^6.3.1",
"semver": "^6.3.1"
},
"engines": {
@@ -242,17 +223,17 @@
}
},
"node_modules/@babel/helper-define-polyfill-provider": {
- "version": "0.6.3",
- "resolved": "https://registry.npmjs.org/@babel/helper-define-polyfill-provider/-/helper-define-polyfill-provider-0.6.3.tgz",
- "integrity": "sha512-HK7Bi+Hj6H+VTHA3ZvBis7V/6hu9QuTrnMXNybfUf2iiuU/N97I8VjB+KbhFF8Rld/Lx5MzoCwPCpPjfK+n8Cg==",
+ "version": "0.6.8",
+ "resolved": "https://registry.npmjs.org/@babel/helper-define-polyfill-provider/-/helper-define-polyfill-provider-0.6.8.tgz",
+ "integrity": "sha512-47UwBLPpQi1NoWzLuHNjRoHlYXMwIJoBf7MFou6viC/sIHWYygpvr0B6IAyh5sBdA2nr2LPIRww8lfaUVQINBA==",
"dev": true,
"license": "MIT",
"dependencies": {
- "@babel/helper-compilation-targets": "^7.22.6",
- "@babel/helper-plugin-utils": "^7.22.5",
- "debug": "^4.1.1",
+ "@babel/helper-compilation-targets": "^7.28.6",
+ "@babel/helper-plugin-utils": "^7.28.6",
+ "debug": "^4.4.3",
"lodash.debounce": "^4.0.8",
- "resolve": "^1.14.2"
+ "resolve": "^1.22.11"
},
"peerDependencies": {
"@babel/core": "^7.4.0 || ^8.0.0-0 <8.0.0"
@@ -268,41 +249,42 @@
}
},
"node_modules/@babel/helper-member-expression-to-functions": {
- "version": "7.27.1",
- "resolved": "https://registry.npmjs.org/@babel/helper-member-expression-to-functions/-/helper-member-expression-to-functions-7.27.1.tgz",
- "integrity": "sha512-E5chM8eWjTp/aNoVpcbfM7mLxu9XGLWYise2eBKGQomAk/Mb4XoxyqXTZbuTohbsl8EKqdlMhnDI2CCLfcs9wA==",
+ "version": "7.28.5",
+ "resolved": "https://registry.npmjs.org/@babel/helper-member-expression-to-functions/-/helper-member-expression-to-functions-7.28.5.tgz",
+ "integrity": "sha512-cwM7SBRZcPCLgl8a7cY0soT1SptSzAlMH39vwiRpOQkJlh53r5hdHwLSCZpQdVLT39sZt+CRpNwYG4Y2v77atg==",
"dev": true,
"license": "MIT",
"dependencies": {
- "@babel/traverse": "^7.27.1",
- "@babel/types": "^7.27.1"
+ "@babel/traverse": "^7.28.5",
+ "@babel/types": "^7.28.5"
},
"engines": {
"node": ">=6.9.0"
}
},
"node_modules/@babel/helper-module-imports": {
- "version": "7.27.1",
- "resolved": "https://registry.npmjs.org/@babel/helper-module-imports/-/helper-module-imports-7.27.1.tgz",
- "integrity": "sha512-0gSFWUPNXNopqtIPQvlD5WgXYI5GY2kP2cCvoT8kczjbfcfuIljTbcWrulD1CIPIX2gt1wghbDy08yE1p+/r3w==",
+ "version": "7.28.6",
+ "resolved": "https://registry.npmjs.org/@babel/helper-module-imports/-/helper-module-imports-7.28.6.tgz",
+ "integrity": "sha512-l5XkZK7r7wa9LucGw9LwZyyCUscb4x37JWTPz7swwFE/0FMQAGpiWUZn8u9DzkSBWEcK25jmvubfpw2dnAMdbw==",
"license": "MIT",
"dependencies": {
- "@babel/traverse": "^7.27.1",
- "@babel/types": "^7.27.1"
+ "@babel/traverse": "^7.28.6",
+ "@babel/types": "^7.28.6"
},
"engines": {
"node": ">=6.9.0"
}
},
"node_modules/@babel/helper-module-transforms": {
- "version": "7.28.3",
- "resolved": "https://registry.npmjs.org/@babel/helper-module-transforms/-/helper-module-transforms-7.28.3.tgz",
- "integrity": "sha512-gytXUbs8k2sXS9PnQptz5o0QnpLL51SwASIORY6XaBKF88nsOT0Zw9szLqlSGQDP/4TljBAD5y98p2U1fqkdsw==",
+ "version": "7.28.6",
+ "resolved": "https://registry.npmjs.org/@babel/helper-module-transforms/-/helper-module-transforms-7.28.6.tgz",
+ "integrity": "sha512-67oXFAYr2cDLDVGLXTEABjdBJZ6drElUSI7WKp70NrpyISso3plG9SAGEF6y7zbha/wOzUByWWTJvEDVNIUGcA==",
+ "dev": true,
"license": "MIT",
"dependencies": {
- "@babel/helper-module-imports": "^7.27.1",
- "@babel/helper-validator-identifier": "^7.27.1",
- "@babel/traverse": "^7.28.3"
+ "@babel/helper-module-imports": "^7.28.6",
+ "@babel/helper-validator-identifier": "^7.28.5",
+ "@babel/traverse": "^7.28.6"
},
"engines": {
"node": ">=6.9.0"
@@ -325,24 +307,25 @@
}
},
"node_modules/@babel/helper-plugin-utils": {
- "version": "7.27.1",
- "resolved": "https://registry.npmjs.org/@babel/helper-plugin-utils/-/helper-plugin-utils-7.27.1.tgz",
- "integrity": "sha512-1gn1Up5YXka3YYAHGKpbideQ5Yjf1tDa9qYcgysz+cNCXukyLl6DjPXhD3VRwSb8c0J9tA4b2+rHEZtc6R0tlw==",
+ "version": "7.28.6",
+ "resolved": "https://registry.npmjs.org/@babel/helper-plugin-utils/-/helper-plugin-utils-7.28.6.tgz",
+ "integrity": "sha512-S9gzZ/bz83GRysI7gAD4wPT/AI3uCnY+9xn+Mx/KPs2JwHJIz1W8PZkg2cqyt3RNOBM8ejcXhV6y8Og7ly/Dug==",
+ "dev": true,
"license": "MIT",
"engines": {
"node": ">=6.9.0"
}
},
"node_modules/@babel/helper-remap-async-to-generator": {
- "version": "7.25.9",
- "resolved": "https://registry.npmjs.org/@babel/helper-remap-async-to-generator/-/helper-remap-async-to-generator-7.25.9.tgz",
- "integrity": "sha512-IZtukuUeBbhgOcaW2s06OXTzVNJR0ybm4W5xC1opWFFJMZbwRj5LCk+ByYH7WdZPZTt8KnFwA8pvjN2yqcPlgw==",
+ "version": "7.27.1",
+ "resolved": "https://registry.npmjs.org/@babel/helper-remap-async-to-generator/-/helper-remap-async-to-generator-7.27.1.tgz",
+ "integrity": "sha512-7fiA521aVw8lSPeI4ZOD3vRFkoqkJcS+z4hFo82bFSH/2tNd6eJ5qCVMS5OzDmZh/kaHQeBaeyxK6wljcPtveA==",
"dev": true,
"license": "MIT",
"dependencies": {
- "@babel/helper-annotate-as-pure": "^7.25.9",
- "@babel/helper-wrap-function": "^7.25.9",
- "@babel/traverse": "^7.25.9"
+ "@babel/helper-annotate-as-pure": "^7.27.1",
+ "@babel/helper-wrap-function": "^7.27.1",
+ "@babel/traverse": "^7.27.1"
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"dev": true,
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"dev": true,
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}
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- "license": "ISC",
+ "license": "BlueOak-1.0.0",
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},
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}
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+ "eslint": "^8.57.0 || ^9.0.0 || ^10.0.0",
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+ "url": "https://opencollective.com/typescript-eslint"
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- "type": "opencollective",
- "url": "https://opencollective.com/typescript-eslint"
+ "url": "https://opencollective.com/eslint"
}
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+ "eslint": ">=8.57.0",
+ "typescript": ">=5.0.0",
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},
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},
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"license": "CC-BY-NC-SA-4.0",
"dependencies": {
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- "ml-signal-processing": "^2.0.0"
+ "ml-signal-processing": "^2.2.1",
+ "ml-spectra-processing": "^14.28.1"
}
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"license": "CC-BY-NC-SA-4.0",
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@@ -4941,36 +5124,23 @@
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"devOptional": true,
"license": "MIT",
+ "peer": true,
"bin": {
"acorn": "bin/acorn"
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@@ -5119,6 +5289,19 @@
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+ "dev": true,
+ "license": "MIT",
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+ "funding": {
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@@ -5383,16 +5566,16 @@
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"dev": true,
"license": "MIT",
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"license": "ISC",
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}
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@@ -6934,13 +6946,13 @@
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}
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- "license": "ISC",
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+ "node_modules/detect-libc": {
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+ "license": "Apache-2.0",
+ "engines": {
+ "node": ">=8"
}
},
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@@ -7008,9 +7020,9 @@
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@@ -7037,9 +7049,10 @@
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+ "dev": true,
"license": "ISC"
},
"node_modules/emittery": {
@@ -7063,28 +7076,27 @@
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+ "version": "2.0.0",
+ "resolved": "https://registry.npmjs.org/ensure-string/-/ensure-string-2.0.0.tgz",
+ "integrity": "sha512-qej9cbqY36/lD8TdFFGugkTybqdxIWLXcqXPlLsuMoW4GJ8ExUGvLEXr+2sXbjssHiAO0hMpkK6tk3E8xphArQ==",
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- "isutf8": "^4.0.0"
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+ "resolved": "https://registry.npmjs.org/error-ex/-/error-ex-1.3.4.tgz",
+ "integrity": "sha512-sqQamAnR14VgCr1A618A3sGrygcpK+HEbenA/HiEAkkUwcZIIB/tgWqHFxWgOyDh4nB4JCRimh79dR5Ywc9MDQ==",
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"dev": true,
"license": "MIT",
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- "call-bound": "^1.0.3",
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@@ -7258,50 +7269,11 @@
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+ "dev": true,
"license": "MIT",
"engines": {
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@@ -7320,26 +7292,26 @@
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"dev": true,
"license": "MIT",
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@@ -7358,7 +7330,7 @@
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@@ -7381,44 +7353,44 @@
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+ "version": "18.0.0",
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"license": "MIT",
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},
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},
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"license": "MIT",
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@@ -7429,24 +7401,24 @@
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"dev": true,
"license": "MIT",
"dependencies": {
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+ "eslint-config-cheminfo": "^18.0.0",
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},
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+ "eslint": "^9.39.1",
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}
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"license": "MIT",
"engines": {
@@ -7457,15 +7429,15 @@
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+ "version": "0.3.10",
+ "resolved": "https://registry.npmjs.org/eslint-import-resolver-node/-/eslint-import-resolver-node-0.3.10.tgz",
+ "integrity": "sha512-tRrKqFyCaKict5hOd244sL6EQFNycnMQnBe+j8uqGNXYzsImGbGUU4ibtoaBmv5FLwJwcFJNeg1GeVjQfbMrDQ==",
"dev": true,
"license": "MIT",
"dependencies": {
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- "is-core-module": "^2.13.0",
- "resolve": "^1.22.4"
+ "is-core-module": "^2.16.1",
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}
},
"node_modules/eslint-import-resolver-node/node_modules/debug": {
@@ -7478,6 +7450,30 @@
"ms": "^2.1.1"
}
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+ "version": "2.0.0-next.6",
+ "resolved": "https://registry.npmjs.org/resolve/-/resolve-2.0.0-next.6.tgz",
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+ "dev": true,
+ "license": "MIT",
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+ },
+ "funding": {
+ "url": "https://github.com/sponsors/ljharb"
+ }
+ },
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"resolved": "https://registry.npmjs.org/eslint-module-utils/-/eslint-module-utils-2.12.1.tgz",
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"license": "BSD-3-Clause",
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+ "object-deep-merge": "^2.0.0",
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- "semver": "^7.7.2",
- "spdx-expression-parse": "^4.0.0"
+ "semver": "^7.7.4",
+ "spdx-expression-parse": "^4.0.0",
+ "to-valid-identifier": "^1.0.0"
},
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+ "node": "^20.19.0 || ^22.13.0 || >=24"
},
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+ "eslint": "^7.0.0 || ^8.0.0 || ^9.0.0 || ^10.0.0"
+ }
+ },
+ "node_modules/eslint-plugin-jsdoc/node_modules/eslint-visitor-keys": {
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+ "license": "Apache-2.0",
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+ },
+ "funding": {
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+ }
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+ "resolved": "https://registry.npmjs.org/espree/-/espree-11.2.0.tgz",
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+ "license": "BSD-2-Clause",
+ "dependencies": {
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+ "acorn-jsx": "^5.3.2",
+ "eslint-visitor-keys": "^5.0.1"
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+ },
+ "funding": {
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}
},
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- "resolved": "https://registry.npmjs.org/semver/-/semver-7.7.2.tgz",
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"hermes-parser": "^0.25.1",
- "zod": "^3.22.4",
- "zod-validation-error": "^3.0.3"
+ "zod": "^3.25.0 || ^4.0.0",
+ "zod-validation-error": "^3.5.0 || ^4.0.0"
},
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},
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+ "eslint": "^3.0.0 || ^4.0.0 || ^5.0.0 || ^6.0.0 || ^7.0.0 || ^8.0.0-0 || ^9.0.0 || ^10.0.0"
}
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+ "version": "0.5.2",
+ "resolved": "https://registry.npmjs.org/eslint-plugin-react-refresh/-/eslint-plugin-react-refresh-0.5.2.tgz",
+ "integrity": "sha512-hmgTH57GfzoTFjVN0yBwTggnsVUF2tcqi7RJZHqi9lIezSs4eFyAMktA68YD4r5kNw1mxyY4dmkyoFDb3FIqrA==",
"dev": true,
"license": "MIT",
"peerDependencies": {
- "eslint": ">=8.40"
+ "eslint": "^9 || ^10"
}
},
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- "resolved": "https://registry.npmjs.org/eslint-plugin-react-you-might-not-need-an-effect/-/eslint-plugin-react-you-might-not-need-an-effect-0.4.2.tgz",
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+ "version": "0.9.3",
+ "resolved": "https://registry.npmjs.org/eslint-plugin-react-you-might-not-need-an-effect/-/eslint-plugin-react-you-might-not-need-an-effect-0.9.3.tgz",
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"globals": "^16.2.0"
},
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},
"peerDependencies": {
- "eslint": ">=7.0.0"
+ "eslint": ">=8.40.0"
}
},
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@@ -7683,89 +7712,74 @@
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+ "resolved": "https://registry.npmjs.org/resolve/-/resolve-2.0.0-next.6.tgz",
+ "integrity": "sha512-3JmVl5hMGtJ3kMmB3zi3DL25KfkCEyy3Tw7Gmw7z5w8M9WlwoPFnIvwChzu1+cF3iaK3sp18hhPz8ANeimdJfA==",
"dev": true,
"license": "MIT",
"dependencies": {
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+ "es-errors": "^1.3.0",
+ "is-core-module": "^2.16.1",
+ "node-exports-info": "^1.6.0",
+ "object-keys": "^1.1.1",
"path-parse": "^1.0.7",
"supports-preserve-symlinks-flag": "^1.0.0"
},
"bin": {
"resolve": "bin/resolve"
},
+ "engines": {
+ "node": ">= 0.4"
+ },
"funding": {
"url": "https://github.com/sponsors/ljharb"
}
},
"node_modules/eslint-plugin-unicorn": {
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- "resolved": "https://registry.npmjs.org/eslint-plugin-unicorn/-/eslint-plugin-unicorn-59.0.1.tgz",
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+ "version": "64.0.0",
+ "resolved": "https://registry.npmjs.org/eslint-plugin-unicorn/-/eslint-plugin-unicorn-64.0.0.tgz",
+ "integrity": "sha512-rNZwalHh8i0UfPlhNwg5BTUO1CMdKNmjqe+TgzOTZnpKoi8VBgsW7u9qCHIdpxEzZ1uwrJrPF0uRb7l//K38gA==",
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- "@eslint-community/eslint-utils": "^4.5.1",
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- "regjsparser": "^0.12.0",
- "semver": "^7.7.1",
- "strip-indent": "^4.0.0"
+ "regjsparser": "^0.13.0",
+ "semver": "^7.7.4",
+ "strip-indent": "^4.1.1"
},
"engines": {
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+ "node": "^20.10.0 || >=21.0.0"
},
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},
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- "dependencies": {
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- },
- "engines": {
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+ "eslint": ">=9.38.0"
}
},
- "node_modules/eslint-plugin-unicorn/node_modules/@eslint/plugin-kit": {
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- "resolved": "https://registry.npmjs.org/@eslint/plugin-kit/-/plugin-kit-0.2.8.tgz",
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+ "node_modules/eslint-plugin-unicorn/node_modules/change-case": {
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+ "resolved": "https://registry.npmjs.org/change-case/-/change-case-5.4.4.tgz",
+ "integrity": "sha512-HRQyTk2/YPEkt9TnUPbOpr64Uw3KOicFWPVBb+xiHvd6eBx/qPr9xqfBFDT8P2vWsvvz4jbEkfDe71W3VyNu2w==",
"dev": true,
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- "levn": "^0.4.1"
- },
- "engines": {
- "node": "^18.18.0 || ^20.9.0 || >=21.1.0"
- }
+ "license": "MIT"
},
"node_modules/eslint-plugin-unicorn/node_modules/globals": {
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- "resolved": "https://registry.npmjs.org/globals/-/globals-16.2.0.tgz",
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+ "version": "17.6.0",
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+ "integrity": "sha512-sepffkT8stwnIYbsMBpoCHJuJM5l98FUF2AnE07hfvE0m/qp3R586hw4jF4uadbhvg1ooIdzuu7CsfD2jzCaNA==",
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"license": "MIT",
"engines": {
@@ -7776,9 +7790,9 @@
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- "integrity": "sha512-RF0Fw+rO5AMf9MAyaRXI4AV0Ulj5lMHqVxxdSgiVbixSCXoEmmX/jk0CuJw4+3SqroYO9VoUh+HcuJivvtJemA==",
+ "version": "7.7.4",
+ "resolved": "https://registry.npmjs.org/semver/-/semver-7.7.4.tgz",
+ "integrity": "sha512-vFKC2IEtQnVhpT78h1Yp8wzwrf8CM+MzKMHGJZfBtzhZNycRFnXsHk6E5TxIkkMsgNS7mdX3AGB7x2QM2di4lA==",
"dev": true,
"license": "ISC",
"bin": {
@@ -7805,35 +7819,6 @@
"url": "https://opencollective.com/eslint"
}
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- },
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- },
- "funding": {
- "url": "https://github.com/sponsors/mysticatea"
- },
- "peerDependencies": {
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- "node_modules/eslint-utils/node_modules/eslint-visitor-keys": {
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- "resolved": "https://registry.npmjs.org/eslint-visitor-keys/-/eslint-visitor-keys-2.1.0.tgz",
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- "dev": true,
- "license": "Apache-2.0",
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@@ -7880,9 +7865,9 @@
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- "integrity": "sha512-ca9pw9fomFcKPvFLXhBKUK90ZvGibiGOvRJNbjljY7s7uq/5YO4BOzcYtJqExdx99rF6aAcnRxHmcUHcz6sQsg==",
+ "version": "1.7.0",
+ "resolved": "https://registry.npmjs.org/esquery/-/esquery-1.7.0.tgz",
+ "integrity": "sha512-Ap6G0WQwcU/LHsvLwON1fAQX9Zp0A2Y6Y/cJBl9r/JbW90Zyg4/zbG6zzKa2OTALELarYHmKu0GhpM5EO+7T0g==",
"dev": true,
"license": "BSD-3-Clause",
"dependencies": {
@@ -7932,10 +7917,23 @@
"node": ">=0.10.0"
}
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+ "version": "4.6.0",
+ "resolved": "https://registry.npmjs.org/eta/-/eta-4.6.0.tgz",
+ "integrity": "sha512-lW6is4T1NFOYnmqGZIfvixqj7A7sSvScF+DN8EK6K58xI5MZ5UvYe0GjopxOXQtZvUn4eDdVuZ8XSoYWTMEKwA==",
+ "dev": true,
+ "license": "MIT",
+ "engines": {
+ "node": ">=20"
+ },
+ "funding": {
+ "url": "https://github.com/bgub/eta?sponsor=1"
+ }
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"node_modules/eventemitter3": {
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- "resolved": "https://registry.npmjs.org/eventemitter3/-/eventemitter3-5.0.1.tgz",
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+ "version": "5.0.4",
+ "resolved": "https://registry.npmjs.org/eventemitter3/-/eventemitter3-5.0.4.tgz",
+ "integrity": "sha512-mlsTRyGaPBjPedk6Bvw+aqbsXDtoAyAzm5MO7JgU+yVRyMQ5O8bD4Kcci7BS85f93veegeCPkL8R4GLClnjLFw==",
"license": "MIT"
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@@ -7980,18 +7978,18 @@
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+ "version": "30.3.0",
+ "resolved": "https://registry.npmjs.org/expect/-/expect-30.3.0.tgz",
+ "integrity": "sha512-1zQrciTiQfRdo7qJM1uG4navm8DayFa2TgCSRlzUyNkhcJ6XUZF3hjnpkyr3VhAqPH7i/9GkG7Tv5abz6fqz0Q==",
"dev": true,
"license": "MIT",
"dependencies": {
- "@jest/expect-utils": "30.1.2",
+ "@jest/expect-utils": "30.3.0",
"@jest/get-type": "30.1.0",
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- "jest-message-util": "30.1.0",
- "jest-mock": "30.0.5",
- "jest-util": "30.0.5"
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@@ -8004,36 +8002,6 @@
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+ "resolved": "https://registry.npmjs.org/jest-runtime/-/jest-runtime-30.3.0.tgz",
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+ "@jest/types": "30.3.0",
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+ "integrity": "sha512-I/xzC8h5G+SHCb2P2gWkJYrNiTbeL47KvKeW5EzplkyxzBRBw1ssSHlI/jXec0ukH2q7x2zAWQm7015iusg62Q==",
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@@ -10174,19 +10114,19 @@
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+ "version": "30.3.0",
+ "resolved": "https://registry.npmjs.org/jest-watcher/-/jest-watcher-30.3.0.tgz",
+ "integrity": "sha512-PJ1d9ThtTR8aMiBWUdcownq9mDdLXsQzJayTk4kmaBRHKvwNQn+ANveuhEBUyNI2hR1TVhvQ8D5kHubbzBHR/w==",
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"dependencies": {
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+ "@jest/test-result": "30.3.0",
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@@ -10194,15 +10134,15 @@
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+ "version": "30.3.0",
+ "resolved": "https://registry.npmjs.org/jest-worker/-/jest-worker-30.3.0.tgz",
+ "integrity": "sha512-DrCKkaQwHexjRUFTmPzs7sHQe0TSj9nvDALKGdwmK5mW9v7j90BudWirKAJHt3QQ9Dhrg1F7DogPzhChppkJpQ==",
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"license": "MIT",
"dependencies": {
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+ "jest-util": "30.3.0",
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@@ -10246,13 +10186,13 @@
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+ "version": "7.2.0",
+ "resolved": "https://registry.npmjs.org/jsdoc-type-pratt-parser/-/jsdoc-type-pratt-parser-7.2.0.tgz",
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"dev": true,
"license": "MIT",
"engines": {
- "node": ">=12.0.0"
+ "node": ">=20.0.0"
}
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@@ -10280,13 +10220,6 @@
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+ "dev": true,
"license": "MIT",
"bin": {
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@@ -10314,9 +10248,9 @@
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+ "version": "6.2.1",
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"dev": true,
"license": "MIT",
"dependencies": {
@@ -10413,16 +10347,264 @@
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+ "license": "MPL-2.0",
+ "dependencies": {
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+ "lightningcss-win32-arm64-msvc": "1.32.0",
+ "lightningcss-win32-x64-msvc": "1.32.0"
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+ "cpu": [
+ "arm64"
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+ "license": "MPL-2.0",
+ "optional": true,
+ "os": [
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+ "funding": {
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+ "cpu": [
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"license": "MIT",
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+ "resolved": "https://registry.npmjs.org/smart-array-filter/-/smart-array-filter-5.0.0.tgz",
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"dev": true,
- "license": "MIT"
+ "license": "MIT",
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@@ -13356,14 +13497,6 @@
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"license": "Apache-2.0",
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@@ -14237,14 +14346,14 @@
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+ "eslint": "^8.57.0 || ^9.0.0 || ^10.0.0",
+ "typescript": ">=4.8.4 <6.1.0"
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+ "version": "2.2.1",
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+ "version": "1.2.3",
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+ "dev": true,
"funding": [
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@@ -14456,12 +14566,12 @@
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@@ -14522,9 +14632,10 @@
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@@ -14537,13 +14648,16 @@
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+ "version": "1.2.0",
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}
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+ "dev": true,
+ "license": "MIT",
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},
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},
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@@ -14883,121 +14977,147 @@
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+ "dev": true,
+ "license": "BlueOak-1.0.0",
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"dev": true,
"license": "MIT",
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},
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"dev": true,
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"dev": true,
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},
"funding": {
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}
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"dev": true,
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},
"funding": {
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}
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"dev": true,
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+ "funding": {
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},
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@@ -15012,26 +15132,11 @@
"url": "https://github.com/sponsors/sindresorhus"
}
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"dev": true,
"license": "BSD-3-Clause",
"dependencies": {
@@ -15042,140 +15147,140 @@
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- "resolved": "https://registry.npmjs.org/workbox-cacheable-response/-/workbox-cacheable-response-7.3.0.tgz",
- "integrity": "sha512-eAFERIg6J2LuyELhLlmeRcJFa5e16Mj8kL2yCDbhWE+HUun9skRQrGIFVUagqWj4DMaaPSMWfAolM7XZZxNmxA==",
+ "version": "7.4.1",
+ "resolved": "https://registry.npmjs.org/workbox-cacheable-response/-/workbox-cacheable-response-7.4.1.tgz",
+ "integrity": "sha512-8xaFoJdDc2OjrlbbL3gEeBO1WKcMwRqwLRupgqahYXu75yXajPLuwrbXMrIGZuWYXrQwk0xDjOxZ/ujCy/oJYw==",
"dev": true,
"license": "MIT",
"dependencies": {
- "workbox-core": "7.3.0"
+ "workbox-core": "7.4.1"
}
},
"node_modules/workbox-core": {
- "version": "7.3.0",
- "resolved": "https://registry.npmjs.org/workbox-core/-/workbox-core-7.3.0.tgz",
- "integrity": "sha512-Z+mYrErfh4t3zi7NVTvOuACB0A/jA3bgxUN3PwtAVHvfEsZxV9Iju580VEETug3zYJRc0Dmii/aixI/Uxj8fmw==",
+ "version": "7.4.1",
+ "resolved": "https://registry.npmjs.org/workbox-core/-/workbox-core-7.4.1.tgz",
+ "integrity": "sha512-DT+vu46eh/2vRsSHTY4Xmc32Z1rr9PRlQUXr1Dx30ZuXRWwOsvZgGgcwxcasubQLQmbTNYZjv44LkBAQ4tT5tQ==",
"dev": true,
"license": "MIT"
},
"node_modules/workbox-expiration": {
- "version": "7.3.0",
- "resolved": "https://registry.npmjs.org/workbox-expiration/-/workbox-expiration-7.3.0.tgz",
- "integrity": "sha512-lpnSSLp2BM+K6bgFCWc5bS1LR5pAwDWbcKt1iL87/eTSJRdLdAwGQznZE+1czLgn/X05YChsrEegTNxjM067vQ==",
+ "version": "7.4.1",
+ "resolved": "https://registry.npmjs.org/workbox-expiration/-/workbox-expiration-7.4.1.tgz",
+ "integrity": "sha512-lRKUF7b+OGbeXkQk1s6MHXOa3d7Xxf7Of31W6c6hCfipfIyrtdWZ89stq21AHZMaoG7VNFoHply4Ox+rU31TWg==",
"dev": true,
"license": "MIT",
"dependencies": {
"idb": "^7.0.1",
- "workbox-core": "7.3.0"
+ "workbox-core": "7.4.1"
}
},
"node_modules/workbox-google-analytics": {
- "version": "7.3.0",
- "resolved": "https://registry.npmjs.org/workbox-google-analytics/-/workbox-google-analytics-7.3.0.tgz",
- "integrity": "sha512-ii/tSfFdhjLHZ2BrYgFNTrb/yk04pw2hasgbM70jpZfLk0vdJAXgaiMAWsoE+wfJDNWoZmBYY0hMVI0v5wWDbg==",
+ "version": "7.4.1",
+ "resolved": "https://registry.npmjs.org/workbox-google-analytics/-/workbox-google-analytics-7.4.1.tgz",
+ "integrity": "sha512-Mks1JwLEt++ZAkF6sS1OpSh9RtAMIsiDgRpK+codiHGIPXeaUOgi4cPc3GFadUl8V5QPeypEk8Oxgl3HlwVzHw==",
"dev": true,
"license": "MIT",
"dependencies": {
- "workbox-background-sync": "7.3.0",
- "workbox-core": "7.3.0",
- "workbox-routing": "7.3.0",
- "workbox-strategies": "7.3.0"
+ "workbox-background-sync": "7.4.1",
+ "workbox-core": "7.4.1",
+ "workbox-routing": "7.4.1",
+ "workbox-strategies": "7.4.1"
}
},
"node_modules/workbox-navigation-preload": {
- "version": "7.3.0",
- "resolved": "https://registry.npmjs.org/workbox-navigation-preload/-/workbox-navigation-preload-7.3.0.tgz",
- "integrity": "sha512-fTJzogmFaTv4bShZ6aA7Bfj4Cewaq5rp30qcxl2iYM45YD79rKIhvzNHiFj1P+u5ZZldroqhASXwwoyusnr2cg==",
+ "version": "7.4.1",
+ "resolved": "https://registry.npmjs.org/workbox-navigation-preload/-/workbox-navigation-preload-7.4.1.tgz",
+ "integrity": "sha512-C4KVsjPcYKJOhr631AxR9XoG2rLF3QiTk5aMv36MXOjtWvm8axwNFAtKUPGsWUwLXXAMgYM1En7fsvndaXeXRQ==",
"dev": true,
"license": "MIT",
"dependencies": {
- "workbox-core": "7.3.0"
+ "workbox-core": "7.4.1"
}
},
"node_modules/workbox-precaching": {
- "version": "7.3.0",
- "resolved": "https://registry.npmjs.org/workbox-precaching/-/workbox-precaching-7.3.0.tgz",
- "integrity": "sha512-ckp/3t0msgXclVAYaNndAGeAoWQUv7Rwc4fdhWL69CCAb2UHo3Cef0KIUctqfQj1p8h6aGyz3w8Cy3Ihq9OmIw==",
+ "version": "7.4.1",
+ "resolved": "https://registry.npmjs.org/workbox-precaching/-/workbox-precaching-7.4.1.tgz",
+ "integrity": "sha512-cdr/9qByww7yzEp7zg/qI4ukUrrNjQLgN+ONQRpjy/VqGQXwkgHwr00KksGJK8v0VifwDXBb8a4cWNZH71jn3Q==",
"dev": true,
"license": "MIT",
"dependencies": {
- "workbox-core": "7.3.0",
- "workbox-routing": "7.3.0",
- "workbox-strategies": "7.3.0"
+ "workbox-core": "7.4.1",
+ "workbox-routing": "7.4.1",
+ "workbox-strategies": "7.4.1"
}
},
"node_modules/workbox-range-requests": {
- "version": "7.3.0",
- "resolved": "https://registry.npmjs.org/workbox-range-requests/-/workbox-range-requests-7.3.0.tgz",
- "integrity": "sha512-EyFmM1KpDzzAouNF3+EWa15yDEenwxoeXu9bgxOEYnFfCxns7eAxA9WSSaVd8kujFFt3eIbShNqa4hLQNFvmVQ==",
+ "version": "7.4.1",
+ "resolved": "https://registry.npmjs.org/workbox-range-requests/-/workbox-range-requests-7.4.1.tgz",
+ "integrity": "sha512-7i2oxAUE82gHdAJBCAQ04JzNOdRPqzuOzGfoUyJpFSmeqBNYGPrAH8GPoPjUQTfp+NycwrD2H68VtuF8qxv0vQ==",
"dev": true,
"license": "MIT",
"dependencies": {
- "workbox-core": "7.3.0"
+ "workbox-core": "7.4.1"
}
},
"node_modules/workbox-recipes": {
- "version": "7.3.0",
- "resolved": "https://registry.npmjs.org/workbox-recipes/-/workbox-recipes-7.3.0.tgz",
- "integrity": "sha512-BJro/MpuW35I/zjZQBcoxsctgeB+kyb2JAP5EB3EYzePg8wDGoQuUdyYQS+CheTb+GhqJeWmVs3QxLI8EBP1sg==",
+ "version": "7.4.1",
+ "resolved": "https://registry.npmjs.org/workbox-recipes/-/workbox-recipes-7.4.1.tgz",
+ "integrity": "sha512-gnbVfmV4/TtmQaM4x9AtuXhcdstJsep3XMVeztOrQVPT+R6+6DeBjGTCQ7fFCXm+4GEHUA5VEBTyi5+4gWGeog==",
"dev": true,
"license": "MIT",
"dependencies": {
- "workbox-cacheable-response": "7.3.0",
- "workbox-core": "7.3.0",
- "workbox-expiration": "7.3.0",
- "workbox-precaching": "7.3.0",
- "workbox-routing": "7.3.0",
- "workbox-strategies": "7.3.0"
+ "workbox-cacheable-response": "7.4.1",
+ "workbox-core": "7.4.1",
+ "workbox-expiration": "7.4.1",
+ "workbox-precaching": "7.4.1",
+ "workbox-routing": "7.4.1",
+ "workbox-strategies": "7.4.1"
}
},
"node_modules/workbox-routing": {
- "version": "7.3.0",
- "resolved": "https://registry.npmjs.org/workbox-routing/-/workbox-routing-7.3.0.tgz",
- "integrity": "sha512-ZUlysUVn5ZUzMOmQN3bqu+gK98vNfgX/gSTZ127izJg/pMMy4LryAthnYtjuqcjkN4HEAx1mdgxNiKJMZQM76A==",
+ "version": "7.4.1",
+ "resolved": "https://registry.npmjs.org/workbox-routing/-/workbox-routing-7.4.1.tgz",
+ "integrity": "sha512-yubJGErZOusuidAenaL5ypfhQOa7urxP/f8E0ws7FPb4039RiWXUWBAyUkmUoOL/BcQGen3h0J8872d51IYxtA==",
"dev": true,
"license": "MIT",
"dependencies": {
- "workbox-core": "7.3.0"
+ "workbox-core": "7.4.1"
}
},
"node_modules/workbox-strategies": {
- "version": "7.3.0",
- "resolved": "https://registry.npmjs.org/workbox-strategies/-/workbox-strategies-7.3.0.tgz",
- "integrity": "sha512-tmZydug+qzDFATwX7QiEL5Hdf7FrkhjaF9db1CbB39sDmEZJg3l9ayDvPxy8Y18C3Y66Nrr9kkN1f/RlkDgllg==",
+ "version": "7.4.1",
+ "resolved": "https://registry.npmjs.org/workbox-strategies/-/workbox-strategies-7.4.1.tgz",
+ "integrity": "sha512-GZxpaw9NbmOelj7667uZ2kpk5BFpOGbO4X0qjwh5ls8XQ8C+Lha5LQchTiUzsTFSS+NlUpftYAyOVXvQUrcqOQ==",
"dev": true,
"license": "MIT",
"dependencies": {
- "workbox-core": "7.3.0"
+ "workbox-core": "7.4.1"
}
},
"node_modules/workbox-streams": {
- "version": "7.3.0",
- "resolved": "https://registry.npmjs.org/workbox-streams/-/workbox-streams-7.3.0.tgz",
- "integrity": "sha512-SZnXucyg8x2Y61VGtDjKPO5EgPUG5NDn/v86WYHX+9ZqvAsGOytP0Jxp1bl663YUuMoXSAtsGLL+byHzEuMRpw==",
+ "version": "7.4.1",
+ "resolved": "https://registry.npmjs.org/workbox-streams/-/workbox-streams-7.4.1.tgz",
+ "integrity": "sha512-HWWtraKUbJknd9kgqGcpQ3G114HOPYvqs8HaJMDs2ebLNAimDkVDaWfAXE6Ybl+m8U6KsCE6pWyLYuigWmnAXw==",
"dev": true,
"license": "MIT",
"dependencies": {
- "workbox-core": "7.3.0",
- "workbox-routing": "7.3.0"
+ "workbox-core": "7.4.1",
+ "workbox-routing": "7.4.1"
}
},
"node_modules/workbox-sw": {
- "version": "7.3.0",
- "resolved": "https://registry.npmjs.org/workbox-sw/-/workbox-sw-7.3.0.tgz",
- "integrity": "sha512-aCUyoAZU9IZtH05mn0ACUpyHzPs0lMeJimAYkQkBsOWiqaJLgusfDCR+yllkPkFRxWpZKF8vSvgHYeG7LwhlmA==",
+ "version": "7.4.1",
+ "resolved": "https://registry.npmjs.org/workbox-sw/-/workbox-sw-7.4.1.tgz",
+ "integrity": "sha512-fez5f2DUlDJWTFYkCWQpY10N8gtztd849NswCbVFk0QlcSM4HT5A8x4g4ii650yem4I8tHY0R7JZahwp3ltIPw==",
"dev": true,
"license": "MIT"
},
"node_modules/workbox-window": {
- "version": "7.3.0",
- "resolved": "https://registry.npmjs.org/workbox-window/-/workbox-window-7.3.0.tgz",
- "integrity": "sha512-qW8PDy16OV1UBaUNGlTVcepzrlzyzNW/ZJvFQQs2j2TzGsg6IKjcpZC1RSquqQnTOafl5pCj5bGfAHlCjOOjdA==",
+ "version": "7.4.1",
+ "resolved": "https://registry.npmjs.org/workbox-window/-/workbox-window-7.4.1.tgz",
+ "integrity": "sha512-notZDH2u8VXaqyuD7xaqIfEFi6SRM4SUSd7ewe9PDsVqADuepxX2ZMY3uvuZGxzY5ZOsGC/vD3A/3smFtJt4/A==",
"dev": true,
"license": "MIT",
"dependencies": {
"@types/trusted-types": "^2.0.2",
- "workbox-core": "7.3.0"
+ "workbox-core": "7.4.1"
}
},
"node_modules/wrap-ansi": {
@@ -15261,9 +15366,9 @@
}
},
"node_modules/wrap-ansi/node_modules/ansi-styles": {
- "version": "6.2.1",
- "resolved": "https://registry.npmjs.org/ansi-styles/-/ansi-styles-6.2.1.tgz",
- "integrity": "sha512-bN798gFfQX+viw3R7yrGWRqnrN2oRkEkUjjl4JNn4E8GxxbjtG3FbrEIIY3l8/hrwUwIeCZvi4QuOTP4MErVug==",
+ "version": "6.2.3",
+ "resolved": "https://registry.npmjs.org/ansi-styles/-/ansi-styles-6.2.3.tgz",
+ "integrity": "sha512-4Dj6M28JB+oAH8kFkTLUo+a2jwOFkuqb3yucU0CANcRRUbxS0cP0nZYCGjcc3BNXwRIsUVmDGgzawme7zvJHvg==",
"dev": true,
"license": "MIT",
"engines": {
@@ -15308,12 +15413,13 @@
"version": "3.1.1",
"resolved": "https://registry.npmjs.org/yallist/-/yallist-3.1.1.tgz",
"integrity": "sha512-a4UGQaWPH59mOXUYnAG2ewncQS4i4F43Tv3JoAM+s2VDAmS9NsK8GpDMLrCHPksFT7h3K6TOoUNn2pb7RoXx4g==",
+ "dev": true,
"license": "ISC"
},
"node_modules/yaml": {
- "version": "2.7.0",
- "resolved": "https://registry.npmjs.org/yaml/-/yaml-2.7.0.tgz",
- "integrity": "sha512-+hSoy/QHluxmC9kCIJyL/uyFmLmc+e5CFR5Wa+bpIhIj85LVb9ZH2nVnqrHoSvKogwODv0ClqZkmiSSaIH5LTA==",
+ "version": "2.8.4",
+ "resolved": "https://registry.npmjs.org/yaml/-/yaml-2.8.4.tgz",
+ "integrity": "sha512-ml/JPOj9fOQK8RNnWojA67GbZ0ApXAUlN2UQclwv2eVgTgn7O9gg9o7paZWKMp4g0H3nTLtS9LVzhkpOFIKzog==",
"license": "ISC",
"optional": true,
"peer": true,
@@ -15321,7 +15427,10 @@
"yaml": "bin.mjs"
},
"engines": {
- "node": ">= 14"
+ "node": ">= 14.6"
+ },
+ "funding": {
+ "url": "https://github.com/sponsors/eemeli"
}
},
"node_modules/yargs": {
@@ -15412,9 +15521,9 @@
}
},
"node_modules/yup": {
- "version": "1.7.0",
- "resolved": "https://registry.npmjs.org/yup/-/yup-1.7.0.tgz",
- "integrity": "sha512-VJce62dBd+JQvoc+fCVq+KZfPHr+hXaxCcVgotfwWvlR0Ja3ffYKaJBT8rptPOSKOGJDCUnW2C2JWpud7aRP6Q==",
+ "version": "1.7.1",
+ "resolved": "https://registry.npmjs.org/yup/-/yup-1.7.1.tgz",
+ "integrity": "sha512-GKHFX2nXul2/4Dtfxhozv701jLQHdf6J34YDh2cEkpqoo8le5Mg6/LrdseVLrFarmFygZTlfIhHx/QKfb/QWXw==",
"license": "MIT",
"dependencies": {
"property-expr": "^2.0.5",
@@ -15436,26 +15545,26 @@
}
},
"node_modules/zod": {
- "version": "3.25.71",
- "resolved": "https://registry.npmjs.org/zod/-/zod-3.25.71.tgz",
- "integrity": "sha512-BsBc/NPk7h8WsUWYWYL+BajcJPY8YhjelaWu2NMLuzgraKAz4Lb4/6K11g9jpuDetjMiqhZ6YaexFLOC0Ogi3Q==",
- "dev": true,
+ "version": "4.4.3",
+ "resolved": "https://registry.npmjs.org/zod/-/zod-4.4.3.tgz",
+ "integrity": "sha512-ytENFjIJFl2UwYglde2jchW2Hwm4GJFLDiSXWdTrJQBIN9Fcyp7n4DhxJEiWNAJMV1/BqWfW/kkg71UDcHJyTQ==",
"license": "MIT",
+ "peer": true,
"funding": {
"url": "https://github.com/sponsors/colinhacks"
}
},
"node_modules/zod-validation-error": {
- "version": "3.5.2",
- "resolved": "https://registry.npmjs.org/zod-validation-error/-/zod-validation-error-3.5.2.tgz",
- "integrity": "sha512-mdi7YOLtram5dzJ5aDtm1AG9+mxRma1iaMrZdYIpFO7epdKBUwLHIxTF8CPDeCQ828zAXYtizrKlEJAtzgfgrw==",
+ "version": "4.0.2",
+ "resolved": "https://registry.npmjs.org/zod-validation-error/-/zod-validation-error-4.0.2.tgz",
+ "integrity": "sha512-Q6/nZLe6jxuU80qb/4uJ4t5v2VEZ44lzQjPDhYJNztRQ4wyWc6VF3D3Kb/fAuPetZQnhS3hnajCf9CsWesghLQ==",
"dev": true,
"license": "MIT",
"engines": {
"node": ">=18.0.0"
},
"peerDependencies": {
- "zod": "^3.25.0"
+ "zod": "^3.25.0 || ^4.0.0"
}
}
}
diff --git a/package.json b/package.json
index 39153bb..8368b97 100644
--- a/package.json
+++ b/package.json
@@ -13,19 +13,19 @@
"node": "24.4.0"
},
"dependencies": {
- "@blueprintjs/core": "^6.2.1",
- "@blueprintjs/icons": "^6.1.0",
- "@blueprintjs/select": "^6.0.3",
+ "@blueprintjs/core": "^6.12.1",
+ "@blueprintjs/icons": "^6.9.1",
+ "@blueprintjs/select": "^6.1.10",
"@emotion/styled": "^11.14.1",
- "@vitejs/plugin-react": "^5.0.2",
- "@zakodium/nmrium-core": "^0.1.7",
- "@zakodium/nmrium-core-plugins": "^0.1.10",
+ "@vitejs/plugin-react": "^6.0.1",
+ "@zakodium/nmrium-core": "^0.7.16",
+ "@zakodium/nmrium-core-plugins": "^0.7.20",
"fifo-logger": "^2.0.1",
"filelist-utils": "^1.11.3",
- "nmr-processing": "^19.1.0",
- "nmrium": "^1.3.0",
- "openchemlib": "^9.7.0",
- "react-science": "^19.1.0"
+ "nmr-processing": "^22.10.0",
+ "nmrium": "^2.1.0",
+ "openchemlib": "^9.22.1",
+ "react-science": "^19.11.0"
},
"scripts": {
"start": "vite --host localhost --port 3000 --open",
@@ -43,28 +43,28 @@
"test-e2e-server": "serve -l tcp://localhost:3000 dist"
},
"devDependencies": {
- "@babel/plugin-transform-modules-commonjs": "^7.27.1",
- "@babel/preset-react": "^7.27.1",
- "@babel/preset-typescript": "^7.27.1",
- "@playwright/test": "^1.55.0",
+ "@babel/plugin-transform-modules-commonjs": "^7.28.6",
+ "@babel/preset-react": "^7.28.5",
+ "@babel/preset-typescript": "^7.28.5",
+ "@playwright/test": "^1.59.1",
"@simbathesailor/use-what-changed": "^2.0.0",
"@types/jest": "^30.0.0",
- "@types/node": "^24.3.0",
+ "@types/node": "^25.6.0",
"@types/react": "^18.3.3",
"@types/react-dom": "^18.3.0",
"@types/react-router-dom": "^5.3.3",
- "cross-env": "^10.0.0",
- "eslint": "^9.34.0",
- "eslint-config-cheminfo-react": "^17.0.1",
- "eslint-config-cheminfo-typescript": "^19.0.0",
- "jest": "^30.1.3",
- "prettier": "3.6.2",
+ "cross-env": "^10.1.0",
+ "eslint": "^9.39.2",
+ "eslint-config-cheminfo-react": "^20.0.1",
+ "eslint-config-cheminfo-typescript": "^22.0.0",
+ "jest": "^30.3.0",
+ "prettier": "3.8.3",
"react": "^18.3.1",
"react-dom": "^18.3.1",
- "react-router-dom": "^7.8.2",
- "serve": "^14.2.4",
- "typescript": "^5.9.2",
- "vite": "^7.1.4",
- "vite-plugin-pwa": "^1.0.3"
+ "react-router-dom": "^7.14.2",
+ "serve": "^14.2.6",
+ "typescript": "^6.0.3",
+ "vite": "^8.0.10",
+ "vite-plugin-pwa": "https://pkg.pr.new/vite-plugin-pwa@924"
}
-}
\ No newline at end of file
+}
diff --git a/playwright.config.ts b/playwright.config.ts
index 3885a9c..f1f5cd5 100644
--- a/playwright.config.ts
+++ b/playwright.config.ts
@@ -9,6 +9,10 @@ const viewportOverride: ViewportSize = {
const config: PlaywrightTestConfig = {
testDir: 'test-e2e',
retries: 1,
+ timeout: 60_000,
+ expect: {
+ timeout: 30_000,
+ },
use: {
headless: true,
ignoreHTTPSErrors: true,
@@ -21,6 +25,7 @@ const config: PlaywrightTestConfig = {
strictSelectors: true,
},
},
+
webServer: {
command: 'npm run test-e2e-server',
port: 3000,
diff --git a/src/Loadingindicator.tsx b/src/Loadingindicator.tsx
new file mode 100644
index 0000000..0e8d57a
--- /dev/null
+++ b/src/Loadingindicator.tsx
@@ -0,0 +1,45 @@
+import { Spinner } from '@blueprintjs/core';
+import styled from '@emotion/styled';
+
+const Overlay = styled.div`
+ position: absolute;
+ inset: 0;
+ z-index: 10;
+ display: flex;
+ flex-direction: column;
+ align-items: center;
+ justify-content: center;
+ background-color: rgba(255, 255, 255, 0.7);
+ backdrop-filter: blur(4px);
+ -webkit-backdrop-filter: blur(4px);
+ gap: 12px;
+ user-select: none;
+ -webkit-user-select: none;
+`;
+
+const Label = styled.span`
+ font-size: 0.8125rem;
+ font-weight: 500;
+ letter-spacing: 0.08em;
+ text-transform: uppercase;
+ color: #6b7280;
+`;
+
+interface LoadingIndicatorProps {
+ label?: string;
+ visible: boolean;
+}
+
+export function LoadingIndicator({
+ label = 'Loading',
+ visible,
+}: LoadingIndicatorProps) {
+ if (!visible) return null;
+
+ return (
+
+
+
+
+ );
+}
diff --git a/src/NMRiumWrapper.tsx b/src/NMRiumWrapper.tsx
index b9a7dc9..10978e3 100644
--- a/src/NMRiumWrapper.tsx
+++ b/src/NMRiumWrapper.tsx
@@ -1,60 +1,37 @@
-import type { NMRiumChangeCb, NMRiumData, NMRiumRefAPI } from 'nmrium';
+import type { NMRiumChangeCb, NMRiumRefAPI } from 'nmrium';
import { NMRium } from 'nmrium';
import type { CSSProperties } from 'react';
-import { useCallback, useEffect, useRef, useState } from 'react';
+import { useCallback, useEffect, useRef } from 'react';
import { RootLayout } from 'react-science/ui';
+import { LoadingIndicator } from './Loadingindicator.js';
import events from './events/event.js';
import { useLoadSpectra } from './hooks/useLoadSpectra.js';
import { usePreferences } from './hooks/usePreferences.js';
import { useWhiteList } from './hooks/useWhiteList.js';
import AboutUsModal from './modal/AboutUsModal.js';
-const styles: Record<'container' | 'loadingContainer', CSSProperties> = {
- container: {
- height: '100%',
- width: '100%',
- position: 'relative',
- },
-
- loadingContainer: {
- position: 'absolute',
- top: 0,
- left: 0,
- right: 0,
- bottom: 0,
- zIndex: 1,
- display: 'flex',
- alignItems: 'center',
- justifyContent: 'center',
- backgroundColor: '#ffffffc9',
- fontSize: '1.4em',
- userSelect: 'none',
- WebkitUserSelect: 'none',
- },
+const containerStyle: CSSProperties = {
+ height: '100%',
+ width: '100%',
+ position: 'relative',
};
export default function NMRiumWrapper() {
const { allowedOrigins, isFetchAllowedOriginsPending } = useWhiteList();
const nmriumRef = useRef(null);
- const [data, setDate] = useState();
-
const { workspace, preferences, defaultEmptyMessage, customWorkspaces } =
usePreferences();
- const dataChangeHandler = useCallback((state, source) => {
- events.trigger('data-change', {
- state,
- source,
- });
- }, []);
- const { load: loadSpectra, isLoading, data: loadedData } = useLoadSpectra();
+ const { load: loadSpectra, data, isLoading } = useLoadSpectra();
- useEffect(() => {
- if (!isLoading) {
- setDate(loadedData as unknown as NMRiumData);
+ const dataChangeHandler = useCallback((state, source) => {
+ // avoid triggering data-change event for SET_2D_LEVEL action, This should be handled internally in NMRium
+ if (source === 'view' && state.data.actionType === 'SET_2D_LEVEL') {
+ return;
}
- }, [isLoading, loadedData]);
+ events.trigger('data-change', { state, source });
+ }, []);
useEffect(() => {
const clearActionListener = events.on(
@@ -73,33 +50,36 @@ export default function NMRiumWrapper() {
}
default: {
throw new Error(
- `ERROR! Property 'type' accept only 'exportViewerAsBlob'.`,
+ `ERROR! Property 'type' accepts only 'exportViewerAsBlob'.`,
);
}
}
},
{ allowedOrigins },
);
+
const clearLoadListener = events.on(
'load',
(loadData) => {
switch (loadData.type) {
- case 'nmrium':
- setDate(loadData.data);
+ case 'nmrium': {
+ const { data, activeTab = '' } = loadData;
+ void loadSpectra({ nmrium: data, activeTab });
break;
+ }
case 'file': {
- const { data: files, activeTab } = loadData;
- loadSpectra({ files, activeTab });
+ const { data: files, activeTab = '' } = loadData;
+ void loadSpectra({ files, activeTab });
break;
}
case 'url': {
- const { data: urls, activeTab } = loadData;
- loadSpectra({ urls, activeTab });
+ const { data: urls, activeTab = '' } = loadData;
+ void loadSpectra({ urls, activeTab });
break;
}
default: {
throw new Error(
- `ERROR! Property 'type' accept only nmrium, url or file.`,
+ `ERROR! Property 'type' accepts only 'nmrium', 'url', or 'file'.`,
);
}
}
@@ -113,22 +93,21 @@ export default function NMRiumWrapper() {
};
});
+ const isShowingOverlay = isFetchAllowedOriginsPending || isLoading;
+
return (
-
- {isFetchAllowedOriginsPending && (
-
- Loading ....
-
- )}
+
+
{
- events.trigger('error', error);
+ events.trigger('error', error as Error);
}}
customWorkspaces={customWorkspaces}
/>
@@ -136,5 +115,3 @@ export default function NMRiumWrapper() {
);
}
-
-export { type NMRiumData } from 'nmrium';
diff --git a/src/demo/NMRiumWrapperDemo.tsx b/src/demo/NMRiumWrapperDemo.tsx
index c484609..00388e3 100644
--- a/src/demo/NMRiumWrapperDemo.tsx
+++ b/src/demo/NMRiumWrapperDemo.tsx
@@ -51,6 +51,7 @@ export default function NMRiumWrapperDemo() {
// 'https://cloud.uni-jena.de/s/jsMed9fmqWZzo6r/download/53.zip',
],
type: 'url',
+ activeTab: '13C',
});
}}
>
diff --git a/src/events/types.ts b/src/events/types.ts
index f30869d..5b8925b 100644
--- a/src/events/types.ts
+++ b/src/events/types.ts
@@ -26,6 +26,7 @@ type LoadData =
| {
data: NMRiumData;
type: 'nmrium';
+ activeTab?: string;
};
interface ActionRequest {
diff --git a/src/hooks/useLoadSpectra.ts b/src/hooks/useLoadSpectra.ts
index 61506c8..ffc0c77 100644
--- a/src/hooks/useLoadSpectra.ts
+++ b/src/hooks/useLoadSpectra.ts
@@ -1,4 +1,5 @@
import type {
+ CoreReadReturn,
NmriumState,
ParsingOptions,
ViewState,
@@ -13,93 +14,111 @@ import events from '../events/event.js';
import { getFileNameFromURL } from '../utilities/getFileNameFromURL.js';
import { isArrayOfString } from '../utilities/isArrayOfString.js';
-type DeepPartial = {
- [K in keyof T]?: T[K] extends object ? DeepPartial : T[K];
+type LoadOptions =
+ | { nmrium: object; activeTab?: string }
+ | { urls: string[]; activeTab?: string }
+ | { files: File[]; activeTab?: string };
+
+// CoreReadReturn with `state.view` made optional to allow partial injection.
+export type NMRiumData = Omit & {
+ state: Omit & { view?: ViewState };
};
-const core = init();
+interface UseLoadSpectraResult {
+ data: NMRiumData | null;
+ load: (options: LoadOptions) => Promise;
+ isLoading: boolean;
+}
+const core = init();
const logger = new FifoLogger();
-function handleLogger({ detail: { logs } }) {
+logger.addEventListener('change', ({ detail: { logs } }) => {
const log = logs.at(-1);
- if (log && ['error', 'fatal', 'warn'].includes(log.levelLabel)) {
- const error = log?.error || new Error(log?.message);
- events.trigger('error', error);
- // eslint-disable-next-line no-console
- console.log(error);
- }
-}
+ if (!log || !['error', 'fatal', 'warn'].includes(log.levelLabel)) return;
-logger.addEventListener('change', handleLogger);
+ const error = log.error ?? new Error(log.message);
+ events.trigger('error', error);
+ // eslint-disable-next-line no-console
+ console.log(error);
+});
const PARSING_OPTIONS: Partial = {
onLoadProcessing: { autoProcessing: true },
experimentalFeatures: true,
- sourceSelector: { general: { dataSelection: 'preferFT' } },
+ selector: { general: { dataSelection: 'preferFT' } },
logger,
};
-async function loadSpectraFromFiles(files: File[]) {
+async function loadSpectraFromNMRium(nmrium: object): Promise {
+ return core.readNMRiumObject(nmrium, PARSING_OPTIONS);
+}
+
+async function loadSpectraFromFiles(files: File[]): Promise {
const fileCollection = await new FileCollection().appendFileList(files);
- const {
- nmriumState: { data },
- } = await core.read(fileCollection, PARSING_OPTIONS);
- return data;
+ return core.read(fileCollection, PARSING_OPTIONS);
}
-async function loadSpectraFromURLs(urls: string[]) {
+async function loadSpectraFromURLs(urls: string[]): Promise {
const entries = urls.map((url) => {
const refURL = new URL(url);
const name = getFileNameFromURL(url);
let path = refURL.pathname;
- const hasExtension = name?.includes('.');
- if (!hasExtension) {
+
+ if (!name?.includes('.')) {
path = `${path}.zip`;
}
- return { relativePath: path, baseURL: refURL.origin };
- }, []);
-
- const { data } = await core.readFromWebSource({ entries }, PARSING_OPTIONS);
- return data;
-}
-
-type NMRiumData = NmriumState['data'];
-type LoadOptions =
- | { urls: string[]; activeTab?: string }
- | { files: File[]; activeTab?: string };
+ return { relativePath: path, baseURL: refURL.origin };
+ });
-interface UseLoadSpectraResult {
- data: { version: number; data: NMRiumData };
- load: (options: LoadOptions) => void;
- isLoading: boolean;
+ return core.readFromWebSource({ entries }, PARSING_OPTIONS);
}
export function useLoadSpectra(): UseLoadSpectraResult {
- const [data, setData] = useState({ spectra: [], molecules: [] });
- const [activeTab, setActiveTab] = useState();
- const [isLoading, setLoading] = useState(false);
+ const [result, setResult] = useState(null);
+ const [activeTab, setActiveTab] = useState();
+ const [isLoading, setLoading] = useState(false);
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);
- setActiveTab(options?.activeTab);
- } else {
+ let loadedResult: CoreReadReturn;
+ let resolvedActiveTab: string | undefined;
+
+ if ('nmrium' in options) {
+ loadedResult = await loadSpectraFromNMRium(options.nmrium);
+ resolvedActiveTab =
+ options.activeTab ?? loadedResult.state.view?.spectra?.activeTab;
+ } else if ('urls' in options) {
+ if (!isArrayOfString(options.urls)) {
throw new Error('The input must be a valid urls array of string[]');
}
- } else if ('files' in options) {
- const result = await loadSpectraFromFiles(options.files);
- setData(result as NMRiumData);
- setActiveTab(options?.activeTab);
+ loadedResult = await loadSpectraFromURLs(options.urls);
+ resolvedActiveTab = options.activeTab;
+ } else {
+ loadedResult = await loadSpectraFromFiles(options.files);
+ resolvedActiveTab = options.activeTab;
}
+
+ setResult(loadedResult);
+ setActiveTab(resolvedActiveTab);
+ const state = {
+ ...loadedResult.state,
+ data: {
+ spectra: [],
+ molecules: [],
+ ...loadedResult.state.data,
+ actionType: 'INITIATE',
+ },
+ };
+
+ events.trigger('data-change', {
+ source: 'data',
+ state: state as NmriumState,
+ });
} catch (error: unknown) {
- const loadError = error as Error;
- events.trigger('error', loadError);
+ events.trigger('error', error as Error);
// eslint-disable-next-line no-console
console.log(error);
} finally {
@@ -108,15 +127,19 @@ export function useLoadSpectra(): UseLoadSpectraResult {
}, []);
return useMemo(() => {
- let view: DeepPartial = {};
- if (activeTab) {
- view = { spectra: { activeTab } };
- }
+ const view = { spectra: { activeTab } } as unknown as ViewState;
+
+ const data: NMRiumData | null = result
+ ? {
+ ...result,
+ state: {
+ version: result.state.version ?? CURRENT_EXPORT_VERSION,
+ ...result.state,
+ view,
+ },
+ }
+ : null;
- return {
- data: { version: CURRENT_EXPORT_VERSION, data, view },
- load,
- isLoading,
- };
- }, [activeTab, data, isLoading, load]);
+ return { data, load, isLoading };
+ }, [activeTab, result, isLoading, load]);
}
diff --git a/src/hooks/usePreferences.ts b/src/hooks/usePreferences.ts
index cf6089c..567aebc 100644
--- a/src/hooks/usePreferences.ts
+++ b/src/hooks/usePreferences.ts
@@ -3,75 +3,78 @@ import type {
WorkspacePreferences,
} from '@zakodium/nmrium-core';
import type { NMRiumWorkspace } from 'nmrium';
-import { useLayoutEffect, useState } from 'react';
+import type { WorkspaceOptions } from '../workspaces/integration.js';
+import { getIntegrationWorkspace } from '../workspaces/integration.js';
import { getNmrXivWorkspace } from '../workspaces/nmrxiv.js';
-interface Preferences {
- preferences: WorkspacePreferences | undefined;
- workspace: NMRiumWorkspace | undefined;
- defaultEmptyMessage: string | undefined;
- customWorkspaces: CustomWorkspaces;
-}
+export function usePreferences() {
+ const { href } = window.location;
+ const parameters = new URL(href).searchParams;
-const DEFAULT_PREFERENCES = {
- preferences: undefined,
- workspace: undefined,
- defaultEmptyMessage: undefined,
- customWorkspaces: {},
-};
+ let preferences: WorkspacePreferences | undefined;
+ let workspace: NMRiumWorkspace | undefined;
+ let defaultEmptyMessage: string | undefined;
+ let hidePanelOnLoad = false;
+ let disableImport = false;
-export function usePreferences() {
- const [configuration, setConfiguration] =
- useState(DEFAULT_PREFERENCES);
+ if (parameters.has('workspace')) {
+ workspace = parameters.get('workspace') as NMRiumWorkspace;
+ }
- useLayoutEffect(() => {
- const { href } = window.location;
- const parameters = new URL(href).searchParams;
+ if (parameters.has('preferences')) {
+ preferences = JSON.parse(parameters.get('preferences') || '');
+ }
- let preferences: WorkspacePreferences | undefined;
- let workspace: NMRiumWorkspace | undefined;
- let defaultEmptyMessage: string | undefined;
- let hidePanelOnLoad = false;
+ if (parameters.has('defaultEmptyMessage')) {
+ defaultEmptyMessage = parameters.get('defaultEmptyMessage') as string;
+ }
+ if (parameters.has('hidePanelOnLoad')) {
+ hidePanelOnLoad =
+ parameters.get('hidePanelOnLoad')?.toLowerCase() === 'true';
+ }
+ if (parameters.has('disableImport')) {
+ disableImport = parameters.get('disableImport')?.toLowerCase() === 'true';
+ }
- if (parameters.has('workspace')) {
- workspace = parameters.get('workspace') as NMRiumWorkspace;
- }
+ const customWorkspaces = createCustomWorkspaces({
+ hidePanelOnLoad,
+ disableImport,
+ });
- if (parameters.has('preferences')) {
- preferences = JSON.parse(parameters.get('preferences') || '');
- }
+ if (parameters.has('workspace')) {
+ workspace = parameters.get('workspace') as NMRiumWorkspace;
+ }
- if (parameters.has('defaultEmptyMessage')) {
- defaultEmptyMessage = parameters.get('defaultEmptyMessage') as string;
- }
- if (parameters.has('hidePanelOnLoad')) {
- hidePanelOnLoad =
- parameters.get('hidePanelOnLoad')?.toLowerCase() === 'true';
- }
+ if (parameters.has('preferences')) {
+ preferences = JSON.parse(parameters.get('preferences') || '');
+ }
- const customWorkspaces = createCustomWorkspaces({ hidePanelOnLoad });
- setConfiguration({
- preferences,
- workspace,
- defaultEmptyMessage,
- customWorkspaces,
- });
- }, []);
+ if (parameters.has('defaultEmptyMessage')) {
+ defaultEmptyMessage = parameters.get('defaultEmptyMessage') as string;
+ }
+ if (parameters.has('hidePanelOnLoad')) {
+ hidePanelOnLoad =
+ parameters.get('hidePanelOnLoad')?.toLowerCase() === 'true';
+ }
- return configuration;
+ return {
+ preferences,
+ workspace,
+ defaultEmptyMessage,
+ customWorkspaces,
+ };
}
-interface CreateCustomWorkspacesOptions {
- hidePanelOnLoad?: boolean;
-}
+type CreateCustomWorkspacesOptions = WorkspaceOptions;
function createCustomWorkspaces(
options: CreateCustomWorkspacesOptions,
): CustomWorkspaces {
- const { hidePanelOnLoad = false } = options;
+ const { hidePanelOnLoad, disableImport } = options;
return {
+ integration: getIntegrationWorkspace({ disableImport, hidePanelOnLoad }),
nmrXiv: getNmrXivWorkspace(hidePanelOnLoad),
};
}
diff --git a/src/hooks/useWhiteList.ts b/src/hooks/useWhiteList.ts
index 4a2f6ae..e4b6e52 100644
--- a/src/hooks/useWhiteList.ts
+++ b/src/hooks/useWhiteList.ts
@@ -1,25 +1,29 @@
import { useEffect, useState, useTransition } from 'react';
-async function readAllowedOrigins() {
- return fetch(
- 'https://raw.githubusercontent.com/NFDI4Chem/nmrium-react-wrapper/main/src/allowed-origins.json',
- ).then((response) => response.json());
+const ALLOWED_ORIGINS_URL =
+ 'https://raw.githubusercontent.com/NFDI4Chem/nmrium-react-wrapper/main/src/allowed-origins.json';
+
+async function readAllowedOrigins(): Promise {
+ const response = await fetch(ALLOWED_ORIGINS_URL);
+
+ if (!response.ok) {
+ throw new Error(
+ `Failed to fetch allowed origins: ${response.status} ${response.statusText}`,
+ );
+ }
+
+ return response.json();
}
export function useWhiteList() {
- const [allowedOrigins, setAllowedOrigins] = useState([]);
+ const [allowedOrigins, setAllowedOrigins] = useState([]);
const [isFetchAllowedOriginsPending, startTransition] = useTransition();
useEffect(() => {
startTransition(() => {
- void readAllowedOrigins().then((whitelist) =>
- setAllowedOrigins(whitelist),
- );
+ void readAllowedOrigins().then(setAllowedOrigins);
});
}, []);
- return {
- allowedOrigins,
- isFetchAllowedOriginsPending,
- };
+ return { allowedOrigins, isFetchAllowedOriginsPending };
}
diff --git a/src/workspaces/integration.ts b/src/workspaces/integration.ts
new file mode 100644
index 0000000..a5835fc
--- /dev/null
+++ b/src/workspaces/integration.ts
@@ -0,0 +1,90 @@
+import type { InnerWorkspace } from '@zakodium/nmrium-core';
+
+export interface WorkspaceOptions {
+ hidePanelOnLoad?: boolean;
+ disableImport?: boolean;
+}
+
+export function getIntegrationWorkspace(
+ options: WorkspaceOptions,
+): InnerWorkspace {
+ const { disableImport = false, hidePanelOnLoad = false } = options;
+ return {
+ label: 'Integration',
+ general: {
+ dimmedSpectraOpacity: 0.4,
+ verticalSplitterPosition: '560px',
+ verticalSplitterCloseThreshold: 600,
+ spectraRendering: 'auto',
+ loggingLevel: 'info',
+ popupLoggingLevel: 'error',
+ invert: true,
+ invertScroll: false,
+ molecules: { labelStyle: {} },
+ },
+ display: {
+ general: {
+ experimentalFeatures: {
+ display: true,
+ visible: true,
+ },
+ hidePanelOnLoad,
+ hideHelp: true,
+ hideLogs: true,
+ hideWorkspaces: true,
+ hideGeneralSettings: true,
+ },
+
+ panels: {
+ spectraPanel: { display: true, visible: true, open: true },
+ informationPanel: { display: true, visible: true, open: false },
+ rangesPanel: { display: true, visible: true, open: false },
+ structuresPanel: { display: true, visible: true, open: false },
+ processingsPanel: { display: true, visible: true, open: false },
+ zonesPanel: { display: true, visible: true, open: false },
+ summaryPanel: { display: true, visible: true, open: false },
+ automaticAssignmentPanel: {
+ display: false,
+ visible: true,
+ open: false,
+ },
+ simulationPanel: { display: false, visible: true, open: false },
+ predictionPanel: { display: false, visible: true, open: false },
+ peaksPanel: { display: false, visible: true, open: false },
+ multipleSpectraAnalysisPanel: {
+ display: false,
+ visible: true,
+ open: false,
+ },
+ matrixGenerationPanel: { display: false, visible: true, open: false },
+ integralsPanel: { display: false, visible: true, open: false },
+ databasePanel: { display: false, visible: true, open: false },
+ },
+ toolBarButtons: {
+ baselineCorrection: true,
+ exclusionZones: true,
+ exportAs: true,
+ fft: true,
+ import: !disableImport,
+ multipleSpectraAnalysis: true,
+ phaseCorrection: true,
+ rangePicking: true,
+ realImaginary: true,
+ slicing: true,
+ spectraCenterAlignments: true,
+ spectraStackAlignments: true,
+ apodization: true,
+ zeroFilling: true,
+ zonePicking: true,
+ zoomOut: true,
+ zoom: true,
+ autoRangeAndZonePicking: true,
+ fftDimension1: true,
+ fftDimension2: true,
+ },
+ },
+ onLoadProcessing: {
+ autoProcessing: true,
+ },
+ };
+}
diff --git a/src/workspaces/nmrxiv.ts b/src/workspaces/nmrxiv.ts
index 8fd4712..4225d09 100644
--- a/src/workspaces/nmrxiv.ts
+++ b/src/workspaces/nmrxiv.ts
@@ -12,6 +12,7 @@ export function getNmrXivWorkspace(hidePanelOnLoad = false): InnerWorkspace {
invert: false,
popupLoggingLevel: 'error',
invertScroll: false,
+ molecules: { labelStyle: {} },
},
display: {
general: {
diff --git a/test-e2e/NmriumWrapperPage.ts b/test-e2e/NmriumWrapperPage.ts
index 0f25de1..1b30617 100644
--- a/test-e2e/NmriumWrapperPage.ts
+++ b/test-e2e/NmriumWrapperPage.ts
@@ -1,4 +1,5 @@
import type { Page } from '@playwright/test';
+import { expect } from '@playwright/test';
export default class NmriumPage {
public readonly page: Page;
@@ -11,4 +12,29 @@ export default class NmriumPage {
await page.goto('http://localhost:3000/#/demo');
return new NmriumPage(page);
}
+
+ public async checkSpectraTabsIsVisible(tabs: string[]) {
+ const promises: Array> = [];
+ for (const tab of tabs) {
+ promises.push(expect(this.page.locator('.tab-list-item').getByText(tab, { exact: true })).toBeVisible());
+ }
+
+ await Promise.all(promises);
+
+ }
+
+ public async dropFile(file: string | string[]) {
+ const filenames: string[] = [];
+
+ if (typeof file === 'string') {
+ filenames.push(file);
+ } else {
+ filenames.push(...file);
+ }
+
+ await this.page
+ .locator('input[type=file]')
+ .setInputFiles(filenames.map((f) => `test-e2e/data/${f}`));
+ }
+
}
diff --git a/test-e2e/core.test.ts b/test-e2e/core.test.ts
index f4d6f44..59c4d79 100644
--- a/test-e2e/core.test.ts
+++ b/test-e2e/core.test.ts
@@ -1,6 +1,7 @@
import { expect, test } from '@playwright/test';
import NmriumWrapperPage from './NmriumWrapperPage.js';
+import triplinineData from './data/Triplinine.json' with { type: 'json' };
async function testLoadStructure(nmrium: NmriumWrapperPage) {
// Open the "Chemical structures" panel.
@@ -27,12 +28,8 @@ test('should load NMRium from external Urls', async ({ page }) => {
// if loaded successfully, there should be a 1H and 13C tabs
await test.step('spectra should be loaded', async () => {
- await expect(
- nmrium.page.locator('.tab-list-item >> text=1H'),
- ).toBeVisible();
- await expect(
- nmrium.page.locator('.tab-list-item >> text=13C'),
- ).toBeVisible();
+ await nmrium.checkSpectraTabsIsVisible(['1H', '13C'])
+
});
// await test.step('Molecule structure should be loaded', async () => {
@@ -46,15 +43,9 @@ test('should load NMRium from Files', async ({ page }) => {
// if loaded successfully, there should be a 1H and 13C tabs
await test.step('spectra should be loaded', async () => {
- await expect(
- page.locator('.tab-list-item').getByText('13C', { exact: true }),
- ).toBeVisible();
- await expect(
- page.locator('.tab-list-item').getByText('1H,1H', { exact: true }),
- ).toBeVisible();
- await expect(
- page.locator('.tab-list-item').getByText('1H,13C', { exact: true }),
- ).toBeVisible();
+
+ await nmrium.checkSpectraTabsIsVisible(['13C', '1H,1H', '1H,13C'])
+
});
await test.step('Molecule structure should be loaded', async () => {
@@ -78,7 +69,8 @@ test('should load NMRium from URL without .zip extension in the path', async ({
await nmrium.page.click('text=Test Load URL without extension');
// if loaded successfully, there should be a 1H
- await expect(nmrium.page.locator('.tab-list-item >> text=1H')).toBeVisible();
+ await nmrium.checkSpectraTabsIsVisible(['1H'])
+
});
@@ -108,10 +100,27 @@ test("Should trigger error action and load the other one that parses successfull
// the error event is triggered
expect(hasError).toBeTruthy();
+ await nmrium.checkSpectraTabsIsVisible(['1H', '13C'])
+});
- // load a 1H spectrum successfully
- await expect(nmrium.page.locator('.tab-list-item >> text=1H')).toBeVisible();
- // load a 13C spectrum successfully
- await expect(nmrium.page.locator('.tab-list-item >> text=13C')).toBeVisible();
+
+test('should load Triplinine.json file using nmr-wrapper:load', async ({
+ page,
+}) => {
+ const nmrium = await NmriumWrapperPage.create(page);
+ const stringObject = JSON.stringify(triplinineData);
+ await page.evaluate(`
+ window.postMessage({ type: "nmr-wrapper:load", data: { data: ${stringObject}, type: "nmrium" } }, '*');
+ `);
+ await nmrium.checkSpectraTabsIsVisible(['1H', '1H,1H', '1H,13C'])
+});
+
+test('should load test-data.nmrium file', async ({
+ page,
+}) => {
+ const nmrium = await NmriumWrapperPage.create(page);
+ await nmrium.dropFile('test-data.nmrium');
+
+ await nmrium.checkSpectraTabsIsVisible(['1H', '13C', '1H,1H', '1H,13C'])
});
diff --git a/test-e2e/data/Triplinine.json b/test-e2e/data/Triplinine.json
new file mode 100644
index 0000000..8b1adf2
--- /dev/null
+++ b/test-e2e/data/Triplinine.json
@@ -0,0 +1,2 @@
+{"data":{"source":{"entries":[{"baseURL":"https:\/\/s3.uni-jena.de","relativePath":"\/nmrxiv\/production\/archive\/ddf5eb61-417d-418d-9936-568000f47dcf\/Triplinine%20J.zip"}]},"spectra":[{"id":"4b115dab-99bf-4604-ad4d-2e04c4b2b0a2","info":{"date":"2025-09-12T04:55:22.000Z","isFt":true,"name":"\/nmrxiv\/production\/archive\/ddf5eb61-417d-418d-9936-568000f47dcf\/Triplinine%20J.zip\/Triplinine J\/100","phc0":-94.11028,"phc1":29.36192,"type":"NMR Spectrum","aqMod":3,"decim":2773.33333333333,"epoch":1757652922000,"isFid":false,"owner":"Ritesh","tdOff":0,"title":"Parameter file, TopSpin 4.1.4","dspfvs":20,"creator":"5bruker biospin gmbh","nucleus":"1H","reverse":false,"solvent":"MeOD","dimension":1,"increment":0.0001561976504469559,"isComplex":true,"probeName":"Z150416_0001 (PA BBI 600W2\/S4 H&F-BB-D-05 XYZ)","experiment":"1d","groupDelay":67.9858856201172,"localeDate":"9\/12\/2025, 4:55:22 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+
diff --git a/test-e2e/data/test-data.nmrium b/test-e2e/data/test-data.nmrium
new file mode 100644
index 0000000..193a723
--- /dev/null
+++ b/test-e2e/data/test-data.nmrium
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diff --git a/vite.config.ts b/vite.config.ts
index ca5a424..3f58be6 100644
--- a/vite.config.ts
+++ b/vite.config.ts
@@ -51,25 +51,34 @@ const pwaSettings: Partial = {
export default () => {
return defineConfig({
base: './',
- esbuild: {
- jsx: 'automatic',
- sourcemap: true,
- },
build: {
outDir: process.env.VITE_BUILD_OUT_DIR || 'dist',
sourcemap: true,
- minify: process.env.NO_MINIFY ? false : 'esbuild',
- rollupOptions: {
+ minify: process.env.NO_MINIFY ? false : 'oxc',
+ rolldownOptions: {
output: {
- manualChunks(id) {
- if (id.includes('node_modules/openchemlib/')) {
- return 'openchemlib';
- }
+ strictExecutionOrder: true,
+ codeSplitting: {
+
+ groups: [
+ {
+ name: 'openchemlib', test: 'node_modules/openchemlib/',
+ entriesAware: true,
+ },
+ {
+ name: 'd3',
+ test: /node_modules\/d3[-/]/,
+ entriesAware: true,
+ },
+ {
+ name: 'blueprint',
+ test: 'node_modules/@blueprintjs/',
+ entriesAware: true,
+ },
+ { name: 'vendor', test: 'node_modules/', entriesAware: true, maxSize: 500_000 },
+ ],
- if (id.includes('node_modules')) {
- return 'vendor';
- }
- },
+ }
},
}
},
diff --git a/yarn.lock b/yarn.lock
deleted file mode 100644
index 9049251..0000000
--- a/yarn.lock
+++ /dev/null
@@ -1,8470 +0,0 @@
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-# yarn lockfile v1
-
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-
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-
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- dependencies:
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- jsonpointer "^5.0.0"
- leven "^3.1.0"
-
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- resolved "https://registry.npmjs.org/@atlaskit/pragmatic-drag-and-drop-auto-scroll/-/pragmatic-drag-and-drop-auto-scroll-2.1.1.tgz"
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- "@babel/runtime" "^7.0.0"
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- resolved "https://registry.npmjs.org/@atlaskit/pragmatic-drag-and-drop-hitbox/-/pragmatic-drag-and-drop-hitbox-1.1.0.tgz"
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- "@babel/runtime" "^7.0.0"
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- bind-event-listener "^3.0.0"
- raf-schd "^4.0.3"
-
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- js-tokens "^4.0.0"
- picocolors "^1.1.1"
-
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- resolved "https://registry.npmjs.org/@babel/compat-data/-/compat-data-7.28.0.tgz"
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-
-"@babel/core@^7.0.0", "@babel/core@^7.0.0 || ^8.0.0-0", "@babel/core@^7.0.0-0", "@babel/core@^7.0.0-0 || ^8.0.0-0 <8.0.0", "@babel/core@^7.11.0", "@babel/core@^7.12.0", "@babel/core@^7.13.0", "@babel/core@^7.23.9", "@babel/core@^7.24.4", "@babel/core@^7.27.4", "@babel/core@^7.28.3", "@babel/core@^7.4.0 || ^8.0.0-0 <8.0.0":
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- gensync "^1.0.0-beta.2"
- json5 "^2.2.3"
- semver "^6.3.1"
-
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- dependencies:
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- "@babel/types" "^7.28.2"
- "@jridgewell/gen-mapping" "^0.3.12"
- "@jridgewell/trace-mapping" "^0.3.28"
- jsesc "^3.0.2"
-
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- version "7.27.3"
- resolved "https://registry.npmjs.org/@babel/helper-annotate-as-pure/-/helper-annotate-as-pure-7.27.3.tgz"
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