diff --git a/package-lock.json b/package-lock.json index 386a19182..54dae962f 100644 --- a/package-lock.json +++ b/package-lock.json @@ -16,8 +16,8 @@ "@tanstack/react-store": "^0.11.2", "@tanstack/react-table": "^9.2.6", "@zakodium/nmr-types": "^0.5.32", - "@zakodium/nmrium-core": "^0.7.76", - "@zakodium/nmrium-core-plugins": "^0.7.107", + "@zakodium/nmrium-core": "^0.7.80", + "@zakodium/nmrium-core-plugins": "^0.7.115", "@zakodium/pdnd-esm": "^1.2.0", "@zakodium/utils": "^0.5.1", "@zip.js/zip.js": "^2.23.0", @@ -45,7 +45,7 @@ "ml-signal-processing": "^2.2.2", "ml-spectra-processing": "^14.35.1", "ml-tree-similarity": "^2.2.0", - "nmr-processing": "^22.25.0", + "nmr-processing": "^22.25.5", "numeral": "^2.0.6", "openchemlib": "^9.25.1", "openchemlib-utils": "^8.18.0", @@ -4430,9 +4430,9 @@ } }, "node_modules/@zakodium/nmrium-core": { - "version": "0.7.76", - "resolved": "https://registry.npmjs.org/@zakodium/nmrium-core/-/nmrium-core-0.7.76.tgz", - "integrity": "sha512-5VXOx4HlHEIv7BWw+aeGcVlFRhiAJH7c3baxhVmKwXyxU7VF/LXrz1NjEW77bUvLmuUKmBoU7n0CCtckf6KMKw==", + "version": "0.7.80", + "resolved": "https://registry.npmjs.org/@zakodium/nmrium-core/-/nmrium-core-0.7.80.tgz", + "integrity": "sha512-FU3pQ8ls8jg7u5767IdokEMXiyMjMekwG+G+St7MFY08VYp3cNME11NqDWXpPOBT8XeDHL5PwVs7y4Jd5N43zg==", "license": "CC-BY-NC-SA-4.0", "dependencies": { "@zakodium/utils": "^0.5.1", @@ -4448,25 +4448,25 @@ } }, "node_modules/@zakodium/nmrium-core-plugins": { - "version": "0.7.107", - "resolved": "https://registry.npmjs.org/@zakodium/nmrium-core-plugins/-/nmrium-core-plugins-0.7.107.tgz", - "integrity": "sha512-d/bs3eNKQve/2PHWO16xxY0FB5ltZ6g/K5le4pjL5go8bVECUnzOfPq2ovEcPwm5EI93U47bNsb7PRKde6XjzA==", + "version": "0.7.115", + "resolved": "https://registry.npmjs.org/@zakodium/nmrium-core-plugins/-/nmrium-core-plugins-0.7.115.tgz", + "integrity": "sha512-socg9Q3jR1k20x6YHMutPtpLqeKcEo5fIEf0vi21mAdaRJajiYeLe6IcOPrAqZtg3+heJmDNAiSabZi/bHVLZg==", "license": "CC-BY-NC-SA-4.0", "dependencies": { "@date-fns/utc": "^2.1.1", - "@zakodium/nmrium-core": "^0.7.76", + "@zakodium/nmrium-core": "^0.7.80", "cheminfo-types": "^1.16.0", "convert-to-jcamp": "^7.0.2", "date-fns": "^4.4.0", "file-collection": "^6.7.0", "gyromagnetic-ratio": "^2.0.0", "is-any-array": "^3.0.0", - "jcampconverter": "^12.5.8", + "jcampconverter": "^12.5.11", "linear-sum-assignment": "^1.0.9", "lodash.merge": "^4.6.2", "ml-spectra-processing": "^14.35.1", - "nmr-processing": "^22.25.0", - "openchemlib": "^9.25.0", + "nmr-processing": "^22.25.5", + "openchemlib": "^9.25.1", "openchemlib-utils": "^8.18.0", "sdf-parser": "^9.0.0", "ts-pattern": "^5.9.0", @@ -7757,9 +7757,9 @@ "license": "ISC" }, "node_modules/jcampconverter": { - "version": "12.5.8", - "resolved": "https://registry.npmjs.org/jcampconverter/-/jcampconverter-12.5.8.tgz", - "integrity": "sha512-BXJKTdyHw/qTyxmTh1+M0JN13aTfl4X4UNlr00KsZV6zwYxCIrkCI13fFBsDL1iMBVqe9EYBq+nVWNrRQ0+zsw==", + "version": "12.5.11", + "resolved": "https://registry.npmjs.org/jcampconverter/-/jcampconverter-12.5.11.tgz", + "integrity": "sha512-7FvB+9P1ABC2tuiG0b312bP54nViUeyfiUgrpnnsoTxYgqnl0XYJnuPqR65RutQ493qEsMFXwo9QkDKhoHS6wg==", "license": "CC-BY-NC-SA-4.0", "dependencies": { "cheminfo-types": "^1.16.0", @@ -7767,7 +7767,7 @@ "ensure-string": "^2.0.0", "gyromagnetic-ratio": "^2.0.0", "ml-array-median": "^2.0.0", - "openchemlib": "^9.25.0" + "openchemlib": "^9.25.1" } }, "node_modules/jiti": { @@ -8951,9 +8951,9 @@ "license": "MIT" }, "node_modules/nmr-processing": { - "version": "22.25.0", - "resolved": "https://registry.npmjs.org/nmr-processing/-/nmr-processing-22.25.0.tgz", - "integrity": "sha512-BZy+A7o4ZbDjvVBKKBu+PyzXZs2DlmMPuYK3JtMk/njPYJpyDejsh3CJeyxhOCwGim1yWLEhVprwOeEh/PfOOQ==", + "version": "22.25.5", + "resolved": "https://registry.npmjs.org/nmr-processing/-/nmr-processing-22.25.5.tgz", + "integrity": "sha512-acuZF/2jP4v9/pxs9ujM6xvYlSePCvabxtdSPCISZzCJZvmZu0htJpkVgEav42JeK4gStd+7gV+Rcma9DFqXuA==", "license": "CC-BY-NC-SA-4.0", "dependencies": { "binary-search": "^1.3.6", @@ -8984,7 +8984,7 @@ "ml-tree-set": "^1.0.1", "multiplet-analysis": "^3.0.2", "numeral": "^2.0.6", - "openchemlib": "^9.25.0", + "openchemlib": "^9.25.1", "openchemlib-utils": "^8.18.0", "spectrum-generator": "^8.2.1" } diff --git a/package.json b/package.json index dd59565b8..4b5f48d5a 100644 --- a/package.json +++ b/package.json @@ -67,8 +67,8 @@ "@tanstack/react-store": "^0.11.2", "@tanstack/react-table": "^9.2.6", "@zakodium/nmr-types": "^0.5.32", - "@zakodium/nmrium-core": "^0.7.76", - "@zakodium/nmrium-core-plugins": "^0.7.107", + "@zakodium/nmrium-core": "^0.7.80", + "@zakodium/nmrium-core-plugins": "^0.7.115", "@zakodium/pdnd-esm": "^1.2.0", "@zakodium/utils": "^0.5.1", "@zip.js/zip.js": "^2.23.0", @@ -96,7 +96,7 @@ "ml-signal-processing": "^2.2.2", "ml-spectra-processing": "^14.35.1", "ml-tree-similarity": "^2.2.0", - "nmr-processing": "^22.25.0", + "nmr-processing": "^22.25.5", "numeral": "^2.0.6", "openchemlib": "^9.25.1", "openchemlib-utils": "^8.18.0", diff --git a/src/component/1d/ranges/FloatingRanges.tsx b/src/component/1d/ranges/FloatingRanges.tsx index c33a13e59..dec6e2de0 100644 --- a/src/component/1d/ranges/FloatingRanges.tsx +++ b/src/component/1d/ranges/FloatingRanges.tsx @@ -6,7 +6,7 @@ import type { FloatingRangesTablePreferences, } from '@zakodium/nmrium-core'; import { isSpectrum1D } from '@zakodium/nmrium-core'; -import { checkMultiplicity } from 'nmr-processing'; +import { isMultiplicityValid } from 'nmr-processing'; import { memo, useEffect, useMemo, useState } from 'react'; import { BsArrowsMove } from 'react-icons/bs'; import { FaCog, FaLink, FaTimes } from 'react-icons/fa'; @@ -102,7 +102,7 @@ function buildSignalItem( js = [], diaIDs, } = signal; - const isNotMultiplet = !checkMultiplicity(multiplicity, ['m']); + const isNotMultiplet = !isMultiplicityValid(multiplicity, ['m']); return { id: base.id, from: base.from, diff --git a/src/component/modal/editRange/forms/validation/EditRangeValidation.ts b/src/component/modal/editRange/forms/validation/EditRangeValidation.ts index fde58bdc5..8b91bc7ed 100644 --- a/src/component/modal/editRange/forms/validation/EditRangeValidation.ts +++ b/src/component/modal/editRange/forms/validation/EditRangeValidation.ts @@ -34,7 +34,7 @@ const editRangeFormValidation = Yup.object().shape({ ) .min(1, 'There must be at least one coupling in a signal') .test( - 'checkMultiplicity', + 'isMultiplicityValid', 'Massive multiplicity requires exactly one coupling', function test(js, context) { const multiplicity: string = diff --git a/src/component/panels/IntegralsPanel/IntegralTable.tsx b/src/component/panels/IntegralsPanel/IntegralTable.tsx index aee027137..4d9ad48fc 100644 --- a/src/component/panels/IntegralsPanel/IntegralTable.tsx +++ b/src/component/panels/IntegralsPanel/IntegralTable.tsx @@ -1,6 +1,6 @@ import type { Info1D, Integral, SignalKind } from '@zakodium/nmr-types'; import dlv from 'dlv'; -import { checkIntegralKind } from 'nmr-processing'; +import { isIntegralSignalKind } from 'nmr-processing'; import { memo, useCallback, useMemo } from 'react'; import { FaRegTrashAlt } from 'react-icons/fa'; @@ -119,7 +119,7 @@ function IntegralTable(props: IntegralTableProps) { getValue() || 0, integralsPreferences.relative.format, ); - const flag = checkIntegralKind(row.original); + const flag = isIntegralSignalKind(row.original); const integral = flag ? value : `[ ${value} ]`; return ( diff --git a/src/component/panels/RangesPanel/TableColumns/SignalDeltaColumn.tsx b/src/component/panels/RangesPanel/TableColumns/SignalDeltaColumn.tsx index 402720e20..cdacb58ba 100644 --- a/src/component/panels/RangesPanel/TableColumns/SignalDeltaColumn.tsx +++ b/src/component/panels/RangesPanel/TableColumns/SignalDeltaColumn.tsx @@ -1,5 +1,5 @@ import { assert } from '@zakodium/utils'; -import { checkMultiplicity } from 'nmr-processing'; +import { isMultiplicityValid } from 'nmr-processing'; import { useDispatch } from '../../../context/DispatchContext.js'; import type { EditableColumnProps } from '../../../elements/EditableColumn.js'; @@ -29,7 +29,7 @@ export default function SignalDeltaColumn(props: RangeColumnProps) { format, )}`; - if (!signal || !checkMultiplicity(signal.multiplicity, ['m'])) { + if (!signal || !isMultiplicityValid(signal.multiplicity, ['m'])) { return ( {rangeText} diff --git a/src/component/panels/RangesPanel/TableColumns/SignalDeltaHzColumn.tsx b/src/component/panels/RangesPanel/TableColumns/SignalDeltaHzColumn.tsx index 3ac1b5d24..e54dc2ac2 100644 --- a/src/component/panels/RangesPanel/TableColumns/SignalDeltaHzColumn.tsx +++ b/src/component/panels/RangesPanel/TableColumns/SignalDeltaHzColumn.tsx @@ -1,5 +1,5 @@ import type { Info1D } from '@zakodium/nmr-types'; -import { checkMultiplicity } from 'nmr-processing'; +import { isMultiplicityValid } from 'nmr-processing'; import { formatNumber } from '../../../utility/formatNumber.js'; import type { RangeColumnProps } from '../RangesTableRow.js'; @@ -20,7 +20,7 @@ function SignalDeltaHzColumn({ if (!signal) return {''}; return ( - {!checkMultiplicity(signal.multiplicity, ['m']) + {!isMultiplicityValid(signal.multiplicity, ['m']) ? `${formatNumber( row.from * info.originFrequency, format, diff --git a/src/component/panels/extra/utilities/MultiplicityUtilities.ts b/src/component/panels/extra/utilities/MultiplicityUtilities.ts index 15efbf90f..75faadb3b 100644 --- a/src/component/panels/extra/utilities/MultiplicityUtilities.ts +++ b/src/component/panels/extra/utilities/MultiplicityUtilities.ts @@ -1,6 +1,6 @@ import { - checkMultiplicity, findMultiplet, + isMultiplicityValid, translateMultiplet, } from 'nmr-processing'; @@ -17,7 +17,7 @@ function hasCouplingConstant(multiplet: string) { multiplet = translateMultiplet(multiplet); } // with the pre-set rejected ones, we check the given multiplicity for the need of having a coupling constant (massive and singlet do not) - return checkMultiplicity(multiplet, ['m', 's']); + return isMultiplicityValid(multiplet, ['m', 's']); } function getPascal(n: number | undefined, spin: number) {