diff --git a/package-lock.json b/package-lock.json
index 8f3f3a8..1943e40 100644
--- a/package-lock.json
+++ b/package-lock.json
@@ -24,7 +24,7 @@
"react-kbs": "^2.1.1",
"react-map-interaction": "^2.1.0",
"react-plot": "^1.4.2",
- "react-science": "^0.24.3",
+ "react-science": "^0.26.2",
"react-use": "^17.4.0"
},
"devDependencies": {
@@ -664,8 +664,9 @@
}
},
"node_modules/@headlessui/react": {
- "version": "1.7.15",
- "license": "MIT",
+ "version": "1.7.17",
+ "resolved": "https://registry.npmjs.org/@headlessui/react/-/react-1.7.17.tgz",
+ "integrity": "sha512-4am+tzvkqDSSgiwrsEpGWqgGo9dz8qU5M3znCkC4PgkpY4HcCZzEDEvozltGGGHIKl9jbXbZPSH5TWn4sWJdow==",
"dependencies": {
"client-only": "^0.0.1"
},
@@ -1109,6 +1110,69 @@
}
}
},
+ "node_modules/@radix-ui/react-radio-group": {
+ "version": "1.1.3",
+ "resolved": "https://registry.npmjs.org/@radix-ui/react-radio-group/-/react-radio-group-1.1.3.tgz",
+ "integrity": "sha512-x+yELayyefNeKeTx4fjK6j99Fs6c4qKm3aY38G3swQVTN6xMpsrbigC0uHs2L//g8q4qR7qOcww8430jJmi2ag==",
+ "dependencies": {
+ "@babel/runtime": "^7.13.10",
+ "@radix-ui/primitive": "1.0.1",
+ "@radix-ui/react-compose-refs": "1.0.1",
+ "@radix-ui/react-context": "1.0.1",
+ "@radix-ui/react-direction": "1.0.1",
+ "@radix-ui/react-presence": "1.0.1",
+ "@radix-ui/react-primitive": "1.0.3",
+ "@radix-ui/react-roving-focus": "1.0.4",
+ "@radix-ui/react-use-controllable-state": "1.0.1",
+ "@radix-ui/react-use-previous": "1.0.1",
+ "@radix-ui/react-use-size": "1.0.1"
+ },
+ "peerDependencies": {
+ "@types/react": "*",
+ "@types/react-dom": "*",
+ "react": "^16.8 || ^17.0 || ^18.0",
+ "react-dom": "^16.8 || ^17.0 || ^18.0"
+ },
+ "peerDependenciesMeta": {
+ "@types/react": {
+ "optional": true
+ },
+ "@types/react-dom": {
+ "optional": true
+ }
+ }
+ },
+ "node_modules/@radix-ui/react-roving-focus": {
+ "version": "1.0.4",
+ "resolved": "https://registry.npmjs.org/@radix-ui/react-roving-focus/-/react-roving-focus-1.0.4.tgz",
+ "integrity": "sha512-2mUg5Mgcu001VkGy+FfzZyzbmuUWzgWkj3rvv4yu+mLw03+mTzbxZHvfcGyFp2b8EkQeMkpRQ5FiA2Vr2O6TeQ==",
+ "dependencies": {
+ "@babel/runtime": "^7.13.10",
+ "@radix-ui/primitive": "1.0.1",
+ "@radix-ui/react-collection": "1.0.3",
+ "@radix-ui/react-compose-refs": "1.0.1",
+ "@radix-ui/react-context": "1.0.1",
+ "@radix-ui/react-direction": "1.0.1",
+ "@radix-ui/react-id": "1.0.1",
+ "@radix-ui/react-primitive": "1.0.3",
+ "@radix-ui/react-use-callback-ref": "1.0.1",
+ "@radix-ui/react-use-controllable-state": "1.0.1"
+ },
+ "peerDependencies": {
+ "@types/react": "*",
+ "@types/react-dom": "*",
+ "react": "^16.8 || ^17.0 || ^18.0",
+ "react-dom": "^16.8 || ^17.0 || ^18.0"
+ },
+ "peerDependenciesMeta": {
+ "@types/react": {
+ "optional": true
+ },
+ "@types/react-dom": {
+ "optional": true
+ }
+ }
+ },
"node_modules/@radix-ui/react-select": {
"version": "1.2.2",
"license": "MIT",
@@ -1384,18 +1448,20 @@
"license": "Apache-2.0"
},
"node_modules/@tanstack/query-core": {
- "version": "4.29.14",
- "license": "MIT",
+ "version": "4.33.0",
+ "resolved": "https://registry.npmjs.org/@tanstack/query-core/-/query-core-4.33.0.tgz",
+ "integrity": "sha512-qYu73ptvnzRh6se2nyBIDHGBQvPY1XXl3yR769B7B6mIDD7s+EZhdlWHQ67JI6UOTFRaI7wupnTnwJ3gE0Mr/g==",
"funding": {
"type": "github",
"url": "https://github.com/sponsors/tannerlinsley"
}
},
"node_modules/@tanstack/react-query": {
- "version": "4.29.14",
- "license": "MIT",
+ "version": "4.33.0",
+ "resolved": "https://registry.npmjs.org/@tanstack/react-query/-/react-query-4.33.0.tgz",
+ "integrity": "sha512-97nGbmDK0/m0B86BdiXzx3EW9RcDYKpnyL2+WwyuLHEgpfThYAnXFaMMmnTDuAO4bQJXEhflumIEUfKmP7ESGA==",
"dependencies": {
- "@tanstack/query-core": "4.29.14",
+ "@tanstack/query-core": "4.33.0",
"use-sync-external-store": "^1.2.0"
},
"funding": {
@@ -1417,10 +1483,11 @@
}
},
"node_modules/@tanstack/react-table": {
- "version": "8.9.2",
- "license": "MIT",
+ "version": "8.9.3",
+ "resolved": "https://registry.npmjs.org/@tanstack/react-table/-/react-table-8.9.3.tgz",
+ "integrity": "sha512-Ng9rdm3JPoSCi6cVZvANsYnF+UoGVRxflMb270tVj0+LjeT/ZtZ9ckxF6oLPLcKesza6VKBqtdF9mQ+vaz24Aw==",
"dependencies": {
- "@tanstack/table-core": "8.9.2"
+ "@tanstack/table-core": "8.9.3"
},
"engines": {
"node": ">=12"
@@ -1435,8 +1502,9 @@
}
},
"node_modules/@tanstack/table-core": {
- "version": "8.9.2",
- "license": "MIT",
+ "version": "8.9.3",
+ "resolved": "https://registry.npmjs.org/@tanstack/table-core/-/table-core-8.9.3.tgz",
+ "integrity": "sha512-NpHZBoHTfqyJk0m/s/+CSuAiwtebhYK90mDuf5eylTvgViNOujiaOaxNDxJkQQAsVvHWZftUGAx1EfO1rkKtLg==",
"engines": {
"node": ">=12"
},
@@ -1936,7 +2004,8 @@
},
"node_modules/atom-sorter": {
"version": "2.0.0",
- "license": "MIT"
+ "resolved": "https://registry.npmjs.org/atom-sorter/-/atom-sorter-2.0.0.tgz",
+ "integrity": "sha512-30O3ccAH+lmysMykyEkBsfB65BU329GatBeYrgzKjDBhaURgvWT7B2+C9gmBFnVmbMO2HaqvyAuce3eMsICluw=="
},
"node_modules/attr-accept": {
"version": "2.2.2",
@@ -2111,11 +2180,13 @@
},
"node_modules/chemical-elements": {
"version": "2.0.2",
- "license": "MIT"
+ "resolved": "https://registry.npmjs.org/chemical-elements/-/chemical-elements-2.0.2.tgz",
+ "integrity": "sha512-h/nJgVzMRIPUu7hg3QIsoFBDRrOO4v78Qxvh8Hh/R83ZW6G9iJtikNV6FBt1Fu8ovJK1SaoS3uyzadGyCMOD9A=="
},
"node_modules/chemical-groups": {
"version": "2.1.0",
- "license": "MIT"
+ "resolved": "https://registry.npmjs.org/chemical-groups/-/chemical-groups-2.1.0.tgz",
+ "integrity": "sha512-Yj4iqkbnG3LG5zS35JCRxhLivzFyZqFnEz5EAtb5DgLw4SNMGAAC/9fDkMhTWiS6ceGY9Zjg7xQPx3dFMweO2A=="
},
"node_modules/cheminfo-font": {
"version": "1.10.0",
@@ -2163,7 +2234,8 @@
},
"node_modules/client-only": {
"version": "0.0.1",
- "license": "MIT"
+ "resolved": "https://registry.npmjs.org/client-only/-/client-only-0.0.1.tgz",
+ "integrity": "sha512-IV3Ou0jSMzZrd3pZ48nLkT9DA7Ag1pnPzaiQhpW7c3RbcqqzvzzVu+L8gfqMp/8IM2MQtSiqaCxrrcfu8I8rMA=="
},
"node_modules/cliui": {
"version": "8.0.1",
@@ -2593,15 +2665,16 @@
"license": "MIT"
},
"node_modules/emdb": {
- "version": "2.4.0",
- "license": "MIT",
+ "version": "2.4.3",
+ "resolved": "https://registry.npmjs.org/emdb/-/emdb-2.4.3.tgz",
+ "integrity": "sha512-irnEU374TUhjygl9gPbK8ubiwIBc8dboDwO+dWKQ2syCjdAsQr51jPBC0O95YlWKwiap+fEHHqKzXt6X1Q8R2Q==",
"dependencies": {
"chemical-elements": "^2.0.2",
"chemical-groups": "^2.1.0",
"cross-fetch": "^3.1.5",
"isotopic-distribution": "^2.2.0",
"jszip": "^3.10.1",
- "mass-fragmentation": "^0.3.0",
+ "mass-fragmentation": "^0.6.0",
"mf-finder": "^2.4.0",
"mf-from-google-sheet": "^2.0.7",
"mf-generator": "^2.1.1",
@@ -2610,7 +2683,7 @@
"mf-utilities": "^2.0.4",
"ml-regression-theil-sen": "^2.0.0",
"ml-spectra-processing": "^12.0.0",
- "ms-spectrum": "^2.4.0",
+ "ms-spectrum": "^2.5.0",
"nucleotide": "^2.1.0",
"openchemlib-utils": "^2.4.0",
"peaks-similarity": "^3.1.1",
@@ -3417,15 +3490,24 @@
}
},
"node_modules/filelist-utils": {
- "version": "1.10.0",
- "license": "MIT",
+ "version": "1.10.2",
+ "resolved": "https://registry.npmjs.org/filelist-utils/-/filelist-utils-1.10.2.tgz",
+ "integrity": "sha512-E4wIKXIXEyON7i6Z/7+hjytm53S0GSE/b+lvPlE5jAbHRV8thv7a4G+aLLFeOPYQK01MCH1l+ti6jHQ3tl/7bg==",
"dependencies": {
"cheminfo-types": "^1.7.2",
- "cross-fetch": "^3.1.6",
+ "cross-fetch": "^4.0.0",
"jszip": "^3.10.1",
"pako": "^2.1.0"
}
},
+ "node_modules/filelist-utils/node_modules/cross-fetch": {
+ "version": "4.0.0",
+ "resolved": "https://registry.npmjs.org/cross-fetch/-/cross-fetch-4.0.0.tgz",
+ "integrity": "sha512-e4a5N8lVvuLgAWgnCrLr2PP0YyDOTHa9H/Rj54dirp61qXnNq46m82bRhNqIA5VccJtWBvPTFRV3TtvHUKPB1g==",
+ "dependencies": {
+ "node-fetch": "^2.6.12"
+ }
+ },
"node_modules/fill-range": {
"version": "7.0.1",
"dev": true,
@@ -3588,6 +3670,17 @@
"url": "https://github.com/sponsors/ljharb"
}
},
+ "node_modules/get-value": {
+ "version": "3.0.1",
+ "resolved": "https://registry.npmjs.org/get-value/-/get-value-3.0.1.tgz",
+ "integrity": "sha512-mKZj9JLQrwMBtj5wxi6MH8Z5eSKaERpAwjg43dPtlGI1ZVEgH/qC7T8/6R2OBSUA+zzHBZgICsVJaEIV2tKTDA==",
+ "dependencies": {
+ "isobject": "^3.0.1"
+ },
+ "engines": {
+ "node": ">=6.0"
+ }
+ },
"node_modules/git-raw-commits": {
"version": "2.0.11",
"dev": true,
@@ -3840,7 +3933,8 @@
},
"node_modules/humps": {
"version": "2.0.1",
- "license": "MIT"
+ "resolved": "https://registry.npmjs.org/humps/-/humps-2.0.1.tgz",
+ "integrity": "sha512-E0eIbrFWUhwfXJmsbdjRQFQPrl5pTEoKlz163j1mTqqUnU9PgR4AgB8AIITzuB3vLBdxZXyZ9TDIrwB2OASz4g=="
},
"node_modules/husky": {
"version": "8.0.3",
@@ -3889,20 +3983,6 @@
"tiff": "^5.0.3"
}
},
- "node_modules/image-js/node_modules/ml-spectra-processing": {
- "version": "12.4.0",
- "resolved": "https://registry.npmjs.org/ml-spectra-processing/-/ml-spectra-processing-12.4.0.tgz",
- "integrity": "sha512-OnJbo/yBYUnV111/c5HXn6sIeV5RlRSRQMxqEtVConEjFBJNbFhpLECbk4/W+5hR9Xsmy8G1EXCX88gkeTMNpA==",
- "dependencies": {
- "binary-search": "^1.3.6",
- "cheminfo-types": "^1.7.1",
- "fft.js": "^4.0.4",
- "is-any-array": "^2.0.1",
- "ml-matrix": "^6.10.4",
- "ml-xsadd": "^2.0.0",
- "spline-interpolator": "^1.0.0"
- }
- },
"node_modules/image-type": {
"version": "4.1.0",
"license": "MIT",
@@ -4328,9 +4408,18 @@
"dev": true,
"license": "ISC"
},
+ "node_modules/isobject": {
+ "version": "3.0.1",
+ "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz",
+ "integrity": "sha512-WhB9zCku7EGTj/HQQRz5aUQEUeoQZH2bWcltRErOpymJ4boYE6wL9Tbr23krRPSZ+C5zqNSrSw+Cc7sZZ4b7vg==",
+ "engines": {
+ "node": ">=0.10.0"
+ }
+ },
"node_modules/isotopic-distribution": {
"version": "2.2.0",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/isotopic-distribution/-/isotopic-distribution-2.2.0.tgz",
+ "integrity": "sha512-C3vrnVV6ibD8SwYgochgy4Slydj9tdHFWRHfaE5AZhAZ0xHoGVb6X68xfzBj3RxGt6lwBQrLLWInhPROHYyIzA==",
"dependencies": {
"chemical-elements": "^2.0.2",
"mf-parser": "^2.3.0",
@@ -4638,11 +4727,29 @@
}
},
"node_modules/mass-fragmentation": {
- "version": "0.3.0",
- "license": "MIT",
+ "version": "0.6.0",
+ "resolved": "https://registry.npmjs.org/mass-fragmentation/-/mass-fragmentation-0.6.0.tgz",
+ "integrity": "sha512-Yokw/z4nChOgR0LczfbVQqEMQpjyJXxbLLYUlJ5sfyoE2Jc8Fz7M1B5uYBnYkiDPAEPXsuYDF9vdrgFVZ9ul0w==",
"dependencies": {
"mf-parser": "^2.3.0",
- "openchemlib-utils": "^2.4.0"
+ "openchemlib-utils": "^5.0.2"
+ }
+ },
+ "node_modules/mass-fragmentation/node_modules/openchemlib-utils": {
+ "version": "5.0.2",
+ "resolved": "https://registry.npmjs.org/openchemlib-utils/-/openchemlib-utils-5.0.2.tgz",
+ "integrity": "sha512-BN/gSpZzJFqfP/BiGHa+wb9BIKvNgIEkwZruyzFWAmwG3P5HvsSERdztMXNBH1YRFpxfsW6u2DvBX0yz7rL7/A==",
+ "dependencies": {
+ "atom-sorter": "^2.0.0",
+ "ensure-string": "^1.2.0",
+ "get-value": "^3.0.1",
+ "ml-floyd-warshall": "^3.0.1",
+ "ml-matrix": "^6.10.4",
+ "papaparse": "^5.4.1",
+ "sdf-parser": "^6.0.1"
+ },
+ "peerDependencies": {
+ "openchemlib": ">=8.5.0"
}
},
"node_modules/mdn-data": {
@@ -4703,7 +4810,8 @@
},
"node_modules/mf-finder": {
"version": "2.4.0",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/mf-finder/-/mf-finder-2.4.0.tgz",
+ "integrity": "sha512-8fyTBxf8EdKel1vbcAmy5vsR8SYUQpylrM7ifn5+fizAOWwUXAB3U1115PVN4bED1Wur4E20Pru3lzNgkDaYFQ==",
"dependencies": {
"atom-sorter": "^2.0.0",
"chemical-elements": "^2.0.2",
@@ -4714,7 +4822,8 @@
},
"node_modules/mf-from-google-sheet": {
"version": "2.0.7",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/mf-from-google-sheet/-/mf-from-google-sheet-2.0.7.tgz",
+ "integrity": "sha512-bzwv/1DGHp+oH1GQkWHJN9IX8Z+AY+A1oGXe4sv7iTT+NUYuIRAGIqChEcmHwUJrc54AXUVJkak1KNVlS0FtSg==",
"dependencies": {
"cross-fetch": "^3.1.5",
"mf-generator": "^2.1.1",
@@ -4725,7 +4834,8 @@
},
"node_modules/mf-generator": {
"version": "2.1.1",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/mf-generator/-/mf-generator-2.1.1.tgz",
+ "integrity": "sha512-ckKw3PyzJTlG7s4zayZV7IeZrprA/jfmprTc3/kZ4LK60kcTCDaJ2gbiN4nejFbFnAZSjuVk4J9MboJL1UctYA==",
"dependencies": {
"chemical-elements": "^2.0.2",
"mf-finder": "^2.4.0",
@@ -4737,7 +4847,8 @@
},
"node_modules/mf-matcher": {
"version": "2.1.0",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/mf-matcher/-/mf-matcher-2.1.0.tgz",
+ "integrity": "sha512-cVRJoz8sf5Xg6SKsy8H1StECHKTXjP4FGokCCm6rXGuSMCb7KR5pAAS45blN24tnkXKtw3GzXGKiZNGzO1khVA==",
"dependencies": {
"mf-utilities": "^2.0.3",
"ml-spectra-processing": "^12.0.0"
@@ -4745,7 +4856,8 @@
},
"node_modules/mf-parser": {
"version": "2.3.0",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/mf-parser/-/mf-parser-2.3.0.tgz",
+ "integrity": "sha512-eWG7JAPpWN/C+5zyTHOa460DHXHqbnpUHGvMWpqEeR+sAXHzBTiuDd3n4RD2X08QxIIgLiQpAjo0Otj7NBLpTw==",
"dependencies": {
"atom-sorter": "^2.0.0",
"chemical-elements": "^2.0.2",
@@ -4755,7 +4867,8 @@
},
"node_modules/mf-utilities": {
"version": "2.0.4",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/mf-utilities/-/mf-utilities-2.0.4.tgz",
+ "integrity": "sha512-i1UX6v0FwWXj1RM4N3izEcShfwB7/LO2jIpK+cwauy9OPUtTQdRS9IdNiKNc0dvEpnCDY2Ci0zOQSnVPTnnDkg==",
"dependencies": {
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"chemical-groups": "^2.1.0",
@@ -4838,7 +4951,8 @@
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"node_modules/ml-array-mean": {
"version": "1.1.6",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/ml-array-mean/-/ml-array-mean-1.1.6.tgz",
+ "integrity": "sha512-MIdf7Zc8HznwIisyiJGRH9tRigg3Yf4FldW8DxKxpCCv/g5CafTw0RRu51nojVEOXuCQC7DRVVu5c7XXO/5joQ==",
"dependencies": {
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}
@@ -4876,7 +4990,8 @@
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"node_modules/ml-array-sum": {
"version": "1.1.6",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/ml-array-sum/-/ml-array-sum-1.1.6.tgz",
+ "integrity": "sha512-29mAh2GwH7ZmiRnup4UyibQZB9+ZLyMShvt4cH4eTK+cL2oEMIZFnSyB3SS8MlsTh6q/w/yh48KmqLxmovN4Dw==",
"dependencies": {
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}
@@ -4906,7 +5021,8 @@
},
"node_modules/ml-distance": {
"version": "4.0.1",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/ml-distance/-/ml-distance-4.0.1.tgz",
+ "integrity": "sha512-feZ5ziXs01zhyFUUUeZV5hwc0f5JW0Sh0ckU1koZe/wdVkJdGxcP06KNQuF0WBTj8FttQUzcvQcpcrOp/XrlEw==",
"dependencies": {
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"ml-distance-euclidean": "^2.0.0",
@@ -4918,8 +5034,9 @@
"license": "MIT"
},
"node_modules/ml-floyd-warshall": {
- "version": "2.0.1",
- "license": "MIT",
+ "version": "3.0.1",
+ "resolved": "https://registry.npmjs.org/ml-floyd-warshall/-/ml-floyd-warshall-3.0.1.tgz",
+ "integrity": "sha512-GrUdw/QuENlOp1HnCNzjaqZJXdXyrOG8YYK7lSvq3fzgOFoaZPY5gUFFmHDSo/T0ZCBLkka9IjcSpEbRGqi/fw==",
"dependencies": {
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}
@@ -4984,22 +5101,35 @@
},
"node_modules/ml-regression-power": {
"version": "2.0.0",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/ml-regression-power/-/ml-regression-power-2.0.0.tgz",
+ "integrity": "sha512-u8O9Fy45+OeYm/4ZBcNDn5w3w+MHc6kZz/AWSJIwmJcyjz6PRkTZnNfgGYdVKwKKDlAOS7G/AFvMKSTWRNO4RQ==",
"dependencies": {
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"ml-regression-simple-linear": "^2.0.2"
}
},
"node_modules/ml-regression-simple-linear": {
- "version": "2.0.3",
- "license": "MIT",
+ "version": "2.0.4",
+ "resolved": "https://registry.npmjs.org/ml-regression-simple-linear/-/ml-regression-simple-linear-2.0.4.tgz",
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"dependencies": {
- "ml-regression-base": "^2.0.1"
+ "cheminfo-types": "^1.7.2",
+ "ml-regression-base": "^3.0.0"
+ }
+ },
+ "node_modules/ml-regression-simple-linear/node_modules/ml-regression-base": {
+ "version": "3.0.0",
+ "resolved": "https://registry.npmjs.org/ml-regression-base/-/ml-regression-base-3.0.0.tgz",
+ "integrity": "sha512-qkQWvNk8VU1LIytjid/+YHOSx8GnEU9dCUPsAQ8AzCh4saijrsni/XA6x7r+N1UrHMDHeSEUBtRZTsl2syyu/A==",
+ "dependencies": {
+ "cheminfo-types": "^1.7.2",
+ "is-any-array": "^2.0.1"
}
},
"node_modules/ml-regression-theil-sen": {
"version": "2.0.0",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/ml-regression-theil-sen/-/ml-regression-theil-sen-2.0.0.tgz",
+ "integrity": "sha512-RO//tYzo69XbWDO5LIPdGp8ef1MSTPPJY0bXNlmOLMSay7YR9FQqtNgqn29T9DSYTa863VAafRlCeXwDQNXkBw==",
"dependencies": {
"ml-array-median": "^1.1.1",
"ml-regression-base": "^2.0.1"
@@ -5045,13 +5175,14 @@
}
},
"node_modules/ml-spectra-processing": {
- "version": "12.3.0",
- "license": "MIT",
+ "version": "12.5.0",
+ "resolved": "https://registry.npmjs.org/ml-spectra-processing/-/ml-spectra-processing-12.5.0.tgz",
+ "integrity": "sha512-y2yMg8w69hpmNEebY17DJ7NNDljV2C16k6HsWx4B5aSdVL3tkgHvwLFAbmZcMpZxRE0VGIBVAPLfo8E3mTQFzQ==",
"dependencies": {
"binary-search": "^1.3.6",
- "cheminfo-types": "^1.6.0",
+ "cheminfo-types": "^1.7.2",
"fft.js": "^4.0.4",
- "is-any-array": "^2.0.0",
+ "is-any-array": "^2.0.1",
"ml-matrix": "^6.10.4",
"ml-xsadd": "^2.0.0",
"spline-interpolator": "^1.0.0"
@@ -5059,11 +5190,13 @@
},
"node_modules/ml-stat": {
"version": "1.3.3",
- "license": "MIT"
+ "resolved": "https://registry.npmjs.org/ml-stat/-/ml-stat-1.3.3.tgz",
+ "integrity": "sha512-F6plydFIKFZA+7j/pRsRrfRu4nwsruQvYD9QxHWc4hFUdASVznsKUL2hgAwgMVizY/P0+b1L9bVQexKES5y/uw=="
},
"node_modules/ml-tree-similarity": {
"version": "1.0.0",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/ml-tree-similarity/-/ml-tree-similarity-1.0.0.tgz",
+ "integrity": "sha512-XJUyYqjSuUQkNQHMscr6tcjldsOoAekxADTplt40QKfwW6nd++1wHWV9AArl0Zvw/TIHgNaZZNvr8QGvE8wLRg==",
"dependencies": {
"binary-search": "^1.3.5",
"num-sort": "^2.0.0"
@@ -5090,11 +5223,12 @@
"license": "MIT"
},
"node_modules/ms-spectrum": {
- "version": "2.4.0",
- "license": "MIT",
+ "version": "2.5.0",
+ "resolved": "https://registry.npmjs.org/ms-spectrum/-/ms-spectrum-2.5.0.tgz",
+ "integrity": "sha512-iEBpHTb8jbbHrABVMEfaBaddAWMlmS93HgC8V2xYED4LhIPucSJOm0AmY/m3hXMyaOrIOmpkH1w/l2I8t/ZgCw==",
"dependencies": {
"cheminfo-types": "^1.4.0",
- "emdb": "^2.4.0",
+ "emdb": "^2.4.3",
"is-any-array": "^2.0.0",
"mf-parser": "^2.3.0",
"mf-utilities": "^2.0.4",
@@ -5163,8 +5297,9 @@
"license": "MIT"
},
"node_modules/node-fetch": {
- "version": "2.6.11",
- "license": "MIT",
+ "version": "2.6.13",
+ "resolved": "https://registry.npmjs.org/node-fetch/-/node-fetch-2.6.13.tgz",
+ "integrity": "sha512-StxNAxh15zr77QvvkmveSQ8uCQ4+v5FkvNTj0OESmiHu+VRi/gXArXtkWMElOsOUNLtUEvI4yS+rdtOHZTwlQA==",
"dependencies": {
"whatwg-url": "^5.0.0"
},
@@ -5207,7 +5342,8 @@
},
"node_modules/nucleotide": {
"version": "2.1.0",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/nucleotide/-/nucleotide-2.1.0.tgz",
+ "integrity": "sha512-DAf9B0uDZebp/oQM0/UWy5+52KlmLnvGir71QGu2kWn02moHz8BRD6vONMgqpq/MY1mvps1Uan4O1n4cMzn2Mw==",
"dependencies": {
"chemical-groups": "^2.1.0",
"mf-utilities": "^2.0.4"
@@ -5215,7 +5351,8 @@
},
"node_modules/num-sort": {
"version": "2.1.0",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/num-sort/-/num-sort-2.1.0.tgz",
+ "integrity": "sha512-1MQz1Ed8z2yckoBeSfkQHHO9K1yDRxxtotKSJ9yvcTUUxSvfvzEq5GwBrjjHEpMlq/k5gvXdmJ1SbYxWtpNoVg==",
"engines": {
"node": ">=8"
},
@@ -5350,23 +5487,26 @@
}
},
"node_modules/openchemlib": {
- "version": "8.3.0",
- "license": "BSD-3-Clause",
+ "version": "8.5.0",
+ "resolved": "https://registry.npmjs.org/openchemlib/-/openchemlib-8.5.0.tgz",
+ "integrity": "sha512-g9i7JfZRsEZSSxDYoBwd9tGwIp7ZAHTbCJMKphmLApY86hyObr0pOtocIPqsT14bmFJ2oM2A3F73wiuRKOwROg==",
"peer": true
},
"node_modules/openchemlib-utils": {
- "version": "2.4.0",
- "license": "MIT",
+ "version": "2.9.0",
+ "resolved": "https://registry.npmjs.org/openchemlib-utils/-/openchemlib-utils-2.9.0.tgz",
+ "integrity": "sha512-El0vE5Tg6BgujWHmnoAZR6azGwl6ESH6ieouUwHnYMgNvBfc63iJDzo7rn0TliK9Gr5BLQh89qfzO6A6eSeh9Q==",
"dependencies": {
"atom-sorter": "^2.0.0",
"ensure-string": "^1.2.0",
- "ml-floyd-warshall": "^2.0.1",
+ "get-value": "^3.0.1",
+ "ml-floyd-warshall": "^3.0.1",
"ml-matrix": "^6.10.4",
- "papaparse": "^5.3.2",
+ "papaparse": "^5.4.1",
"sdf-parser": "^6.0.1"
},
"peerDependencies": {
- "openchemlib": ">=8.0.0"
+ "openchemlib": ">=8.3.0"
}
},
"node_modules/optionator": {
@@ -5427,7 +5567,8 @@
},
"node_modules/papaparse": {
"version": "5.4.1",
- "license": "MIT"
+ "resolved": "https://registry.npmjs.org/papaparse/-/papaparse-5.4.1.tgz",
+ "integrity": "sha512-HipMsgJkZu8br23pW15uvo6sib6wne/4woLZPlFf3rpDyMe9ywEXUsuD7+6K9PRkJlVT51j/sCOYDKGGS3ZJrw=="
},
"node_modules/parent-module": {
"version": "1.0.1",
@@ -5492,14 +5633,16 @@
},
"node_modules/peaks-similarity": {
"version": "3.1.1",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/peaks-similarity/-/peaks-similarity-3.1.1.tgz",
+ "integrity": "sha512-KRG5sO728cRNnzc7YLuXXilhTigP2w3WVpLvWqfhcAXEAinrXah+VirVkucoeL+THq6Vwa20w0j2HNSubm8HAQ==",
"dependencies": {
"ml-stat": "^1.3.3"
}
},
"node_modules/peptide": {
"version": "2.0.0",
- "license": "MIT"
+ "resolved": "https://registry.npmjs.org/peptide/-/peptide-2.0.0.tgz",
+ "integrity": "sha512-zhCkPS6qllu4FK3/Bh8RCC3vfyQvVwT+Eg0TDcypsi8SdQb+tKfB1AoHcEj1M664W17pnYqxzyGcr8kVhW0lvQ=="
},
"node_modules/picocolors": {
"version": "1.0.0",
@@ -5678,8 +5821,9 @@
}
},
"node_modules/react-error-boundary": {
- "version": "4.0.10",
- "license": "MIT",
+ "version": "4.0.11",
+ "resolved": "https://registry.npmjs.org/react-error-boundary/-/react-error-boundary-4.0.11.tgz",
+ "integrity": "sha512-U13ul67aP5DOSPNSCWQ/eO0AQEYzEFkVljULQIjMV0KlffTAhxuDoBKdO0pb/JZ8mDhMKFZ9NZi0BmLGUiNphw==",
"dependencies": {
"@babel/runtime": "^7.12.5"
},
@@ -5834,41 +5978,42 @@
}
},
"node_modules/react-science": {
- "version": "0.24.3",
- "resolved": "https://registry.npmjs.org/react-science/-/react-science-0.24.3.tgz",
- "integrity": "sha512-acCSBUQJee/sQHS7HlxsbHeGGh2qXF9PEAP+PV3Rfjolj+ldaI3BICy1gMtt08JshM0FeB5Wk3QWNMoEh6ttMQ==",
+ "version": "0.26.2",
+ "resolved": "https://registry.npmjs.org/react-science/-/react-science-0.26.2.tgz",
+ "integrity": "sha512-p5t7i8zYXUzXsjAi7a73wOrMegRKeKsIw/sNh0+dSAzHCLcQOtIBxeyjqd7d1v7D7FTEp+2YEQljRkSMp8+3DQ==",
"dependencies": {
- "@emotion/react": "^11.10.6",
- "@emotion/styled": "^11.10.6",
- "@headlessui/react": "^1.7.14",
+ "@emotion/react": "^11.11.1",
+ "@emotion/styled": "^11.11.0",
+ "@headlessui/react": "^1.7.16",
"@lukeed/uuid": "^2.0.1",
- "@popperjs/core": "^2.11.7",
+ "@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": "^4.29.5",
- "@tanstack/react-table": "^8.8.5",
+ "@tanstack/react-query": "^4.32.6",
+ "@tanstack/react-table": "^8.9.3",
"biologic-converter": "^0.6.0",
- "cheminfo-types": "^1.7.0",
+ "cheminfo-types": "^1.7.2",
"d3-scale-chromatic": "^3.0.0",
- "filelist-utils": "^1.8.1",
- "immer": "^10.0.1",
- "jcampconverter": "^9.1.0",
+ "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": "12.3.0",
- "ms-spectrum": "^2.3.1",
+ "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": "^4.0.4",
- "react-icons": "^4.8.0",
- "react-inspector": "^6.0.1",
+ "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",
- "react-shadow": "^20.0.0",
+ "react-shadow": "^20.4.0",
"spc-parser": "^0.7.2",
"tinycolor2": "^1.6.0",
"use-resize-observer": "^9.1.0",
@@ -5880,8 +6025,9 @@
}
},
"node_modules/react-shadow": {
- "version": "20.2.0",
- "license": "MIT",
+ "version": "20.4.0",
+ "resolved": "https://registry.npmjs.org/react-shadow/-/react-shadow-20.4.0.tgz",
+ "integrity": "sha512-sirvAmFja7Ss6MoyQbKWxaQ5IDTAW3Za3Tvegylfr5jXnwKZObHRIyiatefeNlskoGKfuPaZ8DNT052T0SUGcg==",
"dependencies": {
"humps": "^2.0.1"
},
@@ -6341,7 +6487,8 @@
},
"node_modules/sdf-parser": {
"version": "6.0.1",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/sdf-parser/-/sdf-parser-6.0.1.tgz",
+ "integrity": "sha512-QorgjqiqTzodCMmYkWYkYJ9nBnOL3w3mWOE9BB1SATUfkFvLOSxHaeZAnJxrHlRkfI7+q3+FsvZOS2OTN74lNA==",
"dependencies": {
"dynamic-typing": "^1.0.0",
"ensure-string": "^1.2.0"
@@ -6475,11 +6622,12 @@
"license": "CC0-1.0"
},
"node_modules/spectrum-generator": {
- "version": "8.0.7",
- "license": "MIT",
+ "version": "8.0.8",
+ "resolved": "https://registry.npmjs.org/spectrum-generator/-/spectrum-generator-8.0.8.tgz",
+ "integrity": "sha512-CRCW/ByC9lyRqssRz+S84l/xHhU+p2BzAIQc2OwLqRpmt89bzzr2u8h3WT1GDtXtMnTyDQEH2Yhnpb3PJeZ79Q==",
"dependencies": {
"ml-peak-shape-generator": "^4.1.2",
- "ml-spectra-processing": "^12.0.0"
+ "ml-spectra-processing": "^12.5.0"
}
},
"node_modules/spline-interpolator": {
@@ -6694,7 +6842,8 @@
},
"node_modules/sum-object-keys": {
"version": "1.0.2",
- "license": "MIT"
+ "resolved": "https://registry.npmjs.org/sum-object-keys/-/sum-object-keys-1.0.2.tgz",
+ "integrity": "sha512-ii+z8zlKwTeVoidaFv6g2kQuhxq4L2GHFMglZsYrKCcwmMBtNlr/V2K1zlgkopNMmuMOheNV0dVKc5Sf/WdhEw=="
},
"node_modules/supports-color": {
"version": "7.2.0",
@@ -7031,7 +7180,8 @@
},
"node_modules/use-sync-external-store": {
"version": "1.2.0",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/use-sync-external-store/-/use-sync-external-store-1.2.0.tgz",
+ "integrity": "sha512-eEgnFxGQ1Ife9bzYs6VLi8/4X6CObHMw9Qr9tPY43iKwsPw8xE8+EFsf/2cFZ5S3esXgpWgtSCtLNS41F+sKPA==",
"peerDependencies": {
"react": "^16.8.0 || ^17.0.0 || ^18.0.0"
}
@@ -7208,7 +7358,8 @@
},
"node_modules/xy-parser": {
"version": "5.0.4",
- "license": "MIT",
+ "resolved": "https://registry.npmjs.org/xy-parser/-/xy-parser-5.0.4.tgz",
+ "integrity": "sha512-c8rnPqJqFKQzHvBv+rjwm68KaXyUpDN1+9+moF8NKOUrfqJVMCZ1oyE6w14RWNIaQ8kIG8o7CAFht7JOAmpS+w==",
"dependencies": {
"cheminfo-types": "^1.4.0",
"ensure-string": "^1.2.0",
diff --git a/package.json b/package.json
index 66e472f..1d26040 100644
--- a/package.json
+++ b/package.json
@@ -63,7 +63,7 @@
"@emotion/styled": "^11.11.0",
"image-js": "0.0.0-next-ce6a4f4a28",
"immer": "^10.0.2",
- "react-science": "^0.24.3",
+ "react-science": "^0.26.2",
"lodash": "^4.17.21",
"react-use": "^17.4.0",
"react-plot": "^1.4.2",
diff --git a/src/components/roi/ROIAccordion.tsx b/src/components/roi/ROIAccordion.tsx
index 5076402..f9117e5 100644
--- a/src/components/roi/ROIAccordion.tsx
+++ b/src/components/roi/ROIAccordion.tsx
@@ -24,10 +24,17 @@ function ROIAccordion() {
{isEditing ? (
) : (
- <>
+
-
+
)}
);
diff --git a/src/components/roi/ROIEditPreference.tsx b/src/components/roi/ROIEditPreference.tsx
index 80f324a..f615fcb 100644
--- a/src/components/roi/ROIEditPreference.tsx
+++ b/src/components/roi/ROIEditPreference.tsx
@@ -1,12 +1,11 @@
import styled from '@emotion/styled';
import startCase from 'lodash/startCase';
import { CSSProperties, memo, useCallback, useMemo, useState } from 'react';
-import { FaCheck, FaTimes } from 'react-icons/fa';
import {
Checkbox,
ColorPickerDropdown,
+ PanelPreferencesToolbar,
Table,
- Toolbar,
ValueRenderers,
} from 'react-science/ui';
@@ -117,22 +116,7 @@ function ROIEditPreference() {
return (
<>
-
-
-
-
-
-
-
-
+
Shown columns
diff --git a/src/components/roi/ROITable.tsx b/src/components/roi/ROITable.tsx
index f402b48..f9d9120 100644
--- a/src/components/roi/ROITable.tsx
+++ b/src/components/roi/ROITable.tsx
@@ -102,18 +102,24 @@ function ROITable({ identifier }: ROITableProps) {
if (rois.length === 0) return No ROIs generated;
return (
-
-
- {columns.map((column) => (
-
+
+
+
+ {columns.map((column) => (
+
+ ))}
+
+ {rois.map((roi) => (
+
+ {columns.map((column) => columnRenderer(column, roi))}
+
))}
-
- {rois.map((roi) => (
-
- {columns.map((column) => columnRenderer(column, roi))}
-
- ))}
-
+
+
);
}
diff --git a/src/components/roi/ROIToolbar.tsx b/src/components/roi/ROIToolbar.tsx
index 56998d9..d8c4962 100644
--- a/src/components/roi/ROIToolbar.tsx
+++ b/src/components/roi/ROIToolbar.tsx
@@ -1,9 +1,8 @@
-import styled from '@emotion/styled';
import { Roi } from 'image-js';
import startCase from 'lodash/startCase';
import { memo, useCallback, useState } from 'react';
-import { FaCog, FaCopy } from 'react-icons/fa';
-import { Toolbar } from 'react-science/ui';
+import { FaCopy } from 'react-icons/fa';
+import { Toolbar, PanelHeader } from 'react-science/ui';
import { useCopyToClipboard } from 'react-use';
import useROIs from '../../hooks/useROIs';
@@ -41,15 +40,6 @@ function roisToTSV(rois: Roi[]) {
const copyToClipBoardDefaultText = 'Copy to clipboard';
-const Separator = styled.div`
- flex: 1;
-`;
-
-const ROICount = styled.div`
- display: flex;
- align-items: center;
-`;
-
function ROIToolbar({ identifier }: ROIToolbarProps) {
const rois = useROIs(identifier);
const viewDispatch = useViewDispatch();
@@ -73,26 +63,19 @@ function ROIToolbar({ identifier }: ROIToolbarProps) {
}, [viewDispatch]);
return (
-
+
{rois.length > 0 && (
-
-
-
+
+
+
+
+
)}
-
- {`[${rois.length}]`}
-
-
-
-
+
);
}