nmr-correlation - npm Package Compare versions

Comparing version 2.1.0 to 2.1.1

CHANGELOG.md

 # Changelog
 
+### [2.1.1](https://www.github.com/cheminfo/nmr-correlation/compare/v2.1.0...v2.1.1) (2021-10-15)
+
+
+### Bug Fixes
+
+* deletion of obsolete links in 1D too ([da60776](https://www.github.com/cheminfo/nmr-correlation/commit/da607765b03ffd5a8197e8bdf38e30701f84690a))
+* deletion of obsolete links to non-existing signals ([c173249](https://www.github.com/cheminfo/nmr-correlation/commit/c1732495a31abd0ff5ee3478f0bbd0e0c87861a6))
+* do not delete moved link with empty match array ([aa7c8c5](https://www.github.com/cheminfo/nmr-correlation/commit/aa7c8c506a2315c87601661a470397ad0b310450))
+* missing consideration of moved signals in addFromData1D ([5986216](https://www.github.com/cheminfo/nmr-correlation/commit/5986216b0b141bc4ad2701e4ac0ba156f92fc21a))
+* remove correlations without any link ([e8d5e6a](https://www.github.com/cheminfo/nmr-correlation/commit/e8d5e6ab87b446f4c87a51a0646175706f5fb97e))
+* removed unnecessary experiment type and id from correlation options ([28ed3c4](https://www.github.com/cheminfo/nmr-correlation/commit/28ed3c4c23ef79ed10d77cfba332859c7b327322))
+* restorage of previously set correlation properties and possibilty to skip the addFromData method ([3d3b81b](https://www.github.com/cheminfo/nmr-correlation/commit/3d3b81b8e1aefa15ac0fa3259b3e85d5f916f79c))
+* using wrong index in atom types array  in removeDeletedAndNotLinkedCorrelations ([658cbe2](https://www.github.com/cheminfo/nmr-correlation/commit/658cbe2af647cc0720b41056cb56dfce953b67b5))
+
 ## [2.1.0](https://www.github.com/cheminfo/nmr-correlation/compare/v2.0.3...v2.1.0) (2021-09-10)
@@ -4,0 +18,0 @@

lib-esm/build/buildCorrelationData.js

@@ -10,11 +10,11 @@ import { buildState } from '../utilities/build/buildState';
 export function buildCorrelationData(spectra, options) {
-    const { tolerance = {}, mf = '', values: prevValues = [] } = options;
-    const values = spectra ? buildValues(spectra, mf, tolerance, prevValues) : [];
+    const values = spectra ? buildValues(spectra, options) : [];
     delete options.values;
+    delete options.skipDataUpdate;
     return {
         values,
         options,
-        state: buildState(values, mf),
+        state: buildState(values, options.mf || ''),
     };
 }
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lib-esm/index.js

@@ -12,2 +12,3 @@ export * from './build/buildCorrelationData';
 export * from './utilities/general/getAtomTypeFromNucleus';
+export * from './utilities/general/getCorrelationDelta';
 export * from './utilities/general/getCorrelationIndex';
@@ -17,5 +18,7 @@ export * from './utilities/general/getCorrelationsByAtomType';
 export * from './utilities/general/getLabels';
+export * from './utilities/general/getLinkDelta';
+export * from './utilities/general/getLinkDim';
 export * from './utilities/general/isEditedHSQC';
 import * as Types_1 from './types/index';
 export { Types_1 as Types };
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lib-esm/utilities/build/__test__/buildValues.test.js

@@ -10,3 +10,4 @@ import { spectraDataSet1 } from '../../../data/spectraDataSet1';
         const prevValues = [];
-        expect(buildValues(spectra, mf, tolerance, prevValues)).toStrictEqual([]);
+        const options = { tolerance, mf, values: prevValues };
+        expect(buildValues(spectra, options)).toStrictEqual([]);
     });
@@ -18,3 +19,4 @@ it('test 2, mf only', () => {
         const prevValues = [];
-        expect(buildValues(spectra, mf, tolerance, prevValues)).toHaveLength(4);
+        const options = { tolerance, mf, values: prevValues };
+        expect(buildValues(spectra, options)).toHaveLength(4);
     });
@@ -31,17 +33,21 @@ it('test 3, prev value (will be deleted)', () => {
         const prevValues = [correlation];
-        expect(buildValues(spectra, mf, tolerance, prevValues)).toStrictEqual([]);
+        const options = { tolerance, mf, values: prevValues };
+        expect(buildValues(spectra, options)).toStrictEqual([]);
     });
     it('test 4, spectra data: only take first 13C spectrum, no mf', () => {
         const tolerance = { C: 0.25, H: 0.05 };
-        expect(buildValues(spectraDataSet1, '', tolerance, [])).toHaveLength(5);
+        const options = { tolerance };
+        expect(buildValues(spectraDataSet1, options)).toHaveLength(5);
     });
     it('test 5, spectra data: only take first 13C spectrum, no mf, increased tolerance for H', () => {
         const tolerance = { C: 0.25, H: 0.1 };
-        expect(buildValues(spectraDataSet1, '', tolerance, [])).toHaveLength(4);
+        const options = { tolerance };
+        expect(buildValues(spectraDataSet1, options)).toHaveLength(4);
     });
     it('test 6, spectra data: only take first 13C spectrum, with mf', () => {
         const tolerance = { C: 0.25, H: 0.05 };
-        expect(buildValues(spectraDataSet1, 'C6H6', tolerance, [])).toHaveLength(12);
+        const options = { tolerance, mf: 'C6H6' };
+        expect(buildValues(spectraDataSet1, options)).toHaveLength(12);
     });
 });
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lib-esm/utilities/build/__test__/sortCorrelations.test.js

@@ -7,3 +7,2 @@ import { buildCorrelation } from '../../correlation/buildCorrelation';
         label: { origin: 'C1' },
-        signal: { delta: 30.2, id: 'id1' },
     });
@@ -13,3 +12,2 @@ const correlation2 = buildCorrelation({
         label: { origin: 'C2' },
-        signal: { delta: 40.7, id: 'id2' },
     });
@@ -19,3 +17,2 @@ const correlation3 = buildCorrelation({
         label: { origin: 'H1' },
-        signal: { delta: 1.0, id: 'id3' },
     });
@@ -25,3 +22,2 @@ const correlation4 = buildCorrelation({
         label: { origin: 'H2' },
-        signal: { delta: 2.1, id: 'id4' },
     });
@@ -37,2 +33,2 @@ it('test', () => {
 });
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+//# sourceMappingURL=data:application/json;base64,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

lib-esm/utilities/build/buildValues.js

 import { setProtonsCountFromData } from '../protonsCount/setProtonsCountFromData';
 import { getSignals } from '../signals/getSignals';
-import { addFromData1D } from './addFromData1D';
-import { addFromData2D } from './addFromData2D';
+import { addFromData } from './addFromData';
 import { updatePseudoCorrelations } from './pseudo/updatePseudoCorrelations';
-import { removeDeletedCorrelations } from './removeDeletedCorrelations';
+import { removeObsoleteLinksAndNotLinkedCorrelations } from './removeObsoleteLinksAndNotLinkedCorrelations';
 import { setAttachmentsAndProtonEquivalences } from './setAttachmentsAndProtonEquivalences';
@@ -19,11 +18,13 @@ import { setLabels } from './setLabels';
  */
-export function buildValues(spectra, mf, tolerance, values) {
+export function buildValues(spectra, options) {
+    const { tolerance = {}, mf = '', values: prevValues = [] } = options;
     const signals = getSignals(spectra);
-    let _correlations = values ? values.slice() : [];
-    // remove deleted correlations
-    _correlations = removeDeletedCorrelations(_correlations, signals.signals1D, signals.signals2D);
-    // add signals from either 1D or 2D if not already existing as correlation
-    // if a signal already exists then add a link within matched correlation
-    _correlations = addFromData1D(_correlations, signals.signals1D, tolerance);
-    _correlations = addFromData2D(_correlations, signals.signals2D, tolerance);
+    let _correlations = prevValues ? prevValues.slice() : [];
+    if (options.skipDataUpdate !== true) {
+        // remove obsolete links/correlations
+        _correlations = removeObsoleteLinksAndNotLinkedCorrelations(_correlations, signals.signals1D, signals.signals2D);
+        // add signals from either 1D or 2D if not already existing as correlation
+        // if a signal already exists then add a link within matched correlation
+        _correlations = addFromData(_correlations, signals.signals1D, signals.signals2D, tolerance);
+    }
     // set the number of attached protons via DEPT or edited HSQC
@@ -43,2 +44,2 @@ _correlations = setProtonsCountFromData(_correlations, signals.signalsDEPT, signals.signals2D, tolerance);
 }
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+//# sourceMappingURL=data:application/json;base64,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

lib-esm/utilities/build/setMatches.js

@@ -38,3 +38,8 @@ import lodashIsEqual from 'lodash/isEqual';
     correlations.forEach((correlation) => {
-        const linksToRemove = correlation.link.filter((link) => link.match.length === 0 && link.experimentType !== '1d');
+        const linksToRemove = correlation.link.filter((link) => {
+            var _a;
+            return link.match.length === 0 &&
+                link.experimentType !== '1d' &&
+                ((_a = link.edited) === null || _a === void 0 ? void 0 : _a.moved) !== true;
+        });
         linksToRemove.forEach((link) => removeLink(correlation, link.id));
@@ -44,2 +49,2 @@ });
 }
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+//# sourceMappingURL=data:application/json;base64,eyJ2ZXJzaW9uIjozLCJmaWxlIjoic2V0TWF0Y2hlcy5qcyIsInNvdXJjZVJvb3QiOiIiLCJzb3VyY2VzIjpbIi4uLy4uLy4uL3NyYy91dGlsaXRpZXMvYnVpbGQvc2V0TWF0Y2hlcy50cyJdLCJuYW1lcyI6W10sIm1hcHBpbmdzIjoiQUFBQSxPQUFPLGFBQWEsTUFBTSxnQkFBZ0IsQ0FBQztBQUczQyxPQUFPLEVBQUUsUUFBUSxFQUFFLE1BQU0seUJBQXlCLENBQUM7QUFDbkQsT0FBTyxFQUFFLFVBQVUsRUFBRSxNQUFNLDJCQUEyQixDQUFDO0FBQ3ZELE9BQU8sRUFBRSxhQUFhLEVBQUUsTUFBTSw4QkFBOEIsQ0FBQztBQUM3RCxPQUFPLEVBQUUsbUJBQW1CLEVBQUUsTUFBTSxnQ0FBZ0MsQ0FBQztBQUNyRSxPQUFPLEVBQUUseUJBQXlCLEVBQUUsTUFBTSxzQ0FBc0MsQ0FBQztBQUVqRjs7OztHQUlHO0FBQ0gsTUFBTSxVQUFVLFVBQVUsQ0FBQyxZQUFvQjtJQUM3QyxZQUFZLENBQUMsT0FBTyxDQUFDLENBQUMsV0FBVyxFQUFFLEVBQUU7UUFDbkMsV0FBVyxDQUFDLElBQUksQ0FBQyxPQUFPLENBQUMsQ0FBQyxJQUFJLEVBQUUsRUFBRTtZQUNoQyxrQ0FBa0M7WUFDbEMsYUFBYSxDQUFDLElBQUksQ0FBQyxDQUFDO1lBQ3BCLGNBQWM7WUFDZCxNQUFNLGFBQWEsR0FDakIsSUFBSSxDQUFDLElBQUksS0FBSyxHQUFHLENBQUMsQ0FBQyxDQUFDLElBQUksQ0FBQyxRQUFRLENBQUMsQ0FBQyxDQUFDLENBQUMsQ0FBQyxDQUFDLElBQUksQ0FBQyxRQUFRLENBQUMsQ0FBQyxDQUFDLENBQUM7WUFDMUQseUJBQXlCLENBQUMsWUFBWSxFQUFFLGFBQWEsQ0FBQyxDQUFDLE9BQU8sQ0FDNUQsQ0FBQyx3QkFBd0IsRUFBRSxFQUFFO2dCQUMzQixJQUFJLFdBQVcsQ0FBQyxFQUFFLEtBQUssd0JBQXdCLENBQUMsRUFBRSxFQUFFO29CQUNsRCxNQUFNLDZCQUE2QixHQUFHLG1CQUFtQixDQUN2RCxZQUFZLEVBQ1osd0JBQXdCLENBQ3pCLENBQUM7b0JBQ0Ysd0JBQXdCLENBQUMsSUFBSSxDQUFDLE9BQU8sQ0FBQyxDQUFDLGlCQUFpQixFQUFFLEVBQUU7d0JBQzFELDREQUE0RDt3QkFDNUQsSUFDRSxpQkFBaUIsQ0FBQyxjQUFjLEtBQUssSUFBSSxDQUFDLGNBQWM7NEJBQ3hELGlCQUFpQixDQUFDLFlBQVksS0FBSyxJQUFJLENBQUMsWUFBWTs0QkFDcEQsYUFBYSxDQUFDLGlCQUFpQixDQUFDLFFBQVEsRUFBRSxJQUFJLENBQUMsUUFBUSxDQUFDOzRCQUN4RCxpQkFBaUIsQ0FBQyxNQUFNLENBQUMsRUFBRSxLQUFLLElBQUksQ0FBQyxNQUFNLENBQUMsRUFBRTs0QkFDOUMsaUJBQWlCLENBQUMsSUFBSSxLQUFLLElBQUksQ0FBQyxJQUFJLEVBQ3BDOzRCQUNBLFFBQVEsQ0FBQyxJQUFJLEVBQUUsNkJBQTZCLENBQUMsQ0FBQzt5QkFDL0M7b0JBQ0gsQ0FBQyxDQUFDLENBQUM7aUJBQ0o7WUFDSCxDQUFDLENBQ0YsQ0FBQztRQUNKLENBQUMsQ0FBQyxDQUFDO0lBQ0wsQ0FBQyxDQUFDLENBQUM7SUFFSCxtQ0FBbUM7SUFDbkMsWUFBWSxDQUFDLE9BQU8sQ0FBQyxDQUFDLFdBQVcsRUFBRSxFQUFFO1FBQ25DLE1BQU0sYUFBYSxHQUFHLFdBQVcsQ0FBQyxJQUFJLENBQUMsTUFBTSxDQUMzQyxDQUFDLElBQUksRUFBRSxFQUFFOztZQUNQLE9BQUEsSUFBSSxDQUFDLEtBQUssQ0FBQyxNQUFNLEtBQUssQ0FBQztnQkFDdkIsSUFBSSxDQUFDLGNBQWMsS0FBSyxJQUFJO2dCQUM1QixDQUFBLE1BQUEsSUFBSSxDQUFDLE1BQU0sMENBQUUsS0FBSyxNQUFLLElBQUksQ0FBQTtTQUFBLENBQzlCLENBQUM7UUFDRixhQUFhLENBQUMsT0FBTyxDQUFDLENBQUMsSUFBSSxFQUFFLEVBQUUsQ0FBQyxVQUFVLENBQUMsV0FBVyxFQUFFLElBQUksQ0FBQyxFQUFFLENBQUMsQ0FBQyxDQUFDO0lBQ3BFLENBQUMsQ0FBQyxDQUFDO0lBRUgsT0FBTyxZQUFZLENBQUM7QUFDdEIsQ0FBQyJ9

lib-esm/utilities/build/sortCorrelations.js

@@ -0,1 +1,2 @@
+import { getCorrelationDelta } from '../general/getCorrelationDelta';
 import { getCorrelationsByAtomType } from '../general/getCorrelationsByAtomType';
@@ -32,9 +33,16 @@ /**
     const compareCorrelations = (corr1, corr2) => {
-        if (corr1.pseudo === false && corr2.pseudo === false) {
-            if (corr1.signal.delta < corr2.signal.delta) {
-                return -1;
+        if (corr1.pseudo === false &&
+            corr2.pseudo === false &&
+            corr1.link.length > 0 &&
+            corr2.link.length > 0) {
+            const corr1Delta = getCorrelationDelta(corr1);
+            const corr2Delta = getCorrelationDelta(corr2);
+            if (corr1Delta !== undefined && corr2Delta !== undefined) {
+                if (corr1Delta < corr2Delta) {
+                    return -1;
+                }
+                else if (corr1Delta > corr2Delta) {
+                    return 1;
+                }
             }
-            else if (corr1.signal.delta > corr2.signal.delta) {
-                return 1;
-            }
         }
@@ -67,2 +75,2 @@ if (corr1.pseudo === false && corr2.pseudo === true) {
 }
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+//# sourceMappingURL=data:application/json;base64,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

lib-esm/utilities/correlation/buildCorrelation.js

@@ -10,6 +10,3 @@ import { generateID } from '../general/generateID';
         id: options.id || generateID(),
-        experimentType: options.experimentType,
-        experimentID: options.experimentID,
         atomType: options.atomType,
-        signal: options.signal,
         label: options.label || {},
@@ -25,2 +22,2 @@ link: options.link || [],
 }
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lib-esm/utilities/correlation/buildLink.js

@@ -18,4 +18,5 @@ import { generateID } from '../general/generateID';
         pseudo: options.pseudo || false,
+        edited: options.edited || {},
     };
 }
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lib-esm/utilities/correlation/setCorrelation.js

@@ -10,5 +10,10 @@ import { buildCorrelation } from './buildCorrelation';
 export function setCorrelation(data, id, correlation) {
-    const correlationIndex = data.values.findIndex((_correlation) => _correlation.id === id);
     const _values = data.values.slice();
-    _values.splice(correlationIndex, 1, buildCorrelation({ ...correlation }));
+    const correlationIndex = _values.findIndex((_correlation) => _correlation.id === id);
+    if (correlationIndex >= 0) {
+        _values.splice(correlationIndex, 1, buildCorrelation({ ...correlation }));
+    }
+    else {
+        _values.push(correlation);
+    }
     return {
@@ -20,2 +25,2 @@ values: _values,
 }
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lib-esm/utilities/protonsCount/setProtonsCount.js

 import { checkMatch } from '../general/checkMatch';
+import { getCorrelationDelta } from '../general/getCorrelationDelta';
 /**
@@ -13,6 +14,8 @@ * Sets proton counts from DEPT90 signals and DEPT135/edited HSQC signals.
     for (let i = 0; i < correlations.length; i++) {
-        if (correlations[i].edited.protonsCount) {
+        const correlation = correlations[i];
+        if (correlation.edited.protonsCount) {
             // do not overwrite a manually edited value
             continue;
         }
+        const correlationDelta = getCorrelationDelta(correlation);
         const match = [-1, -1];
@@ -22,3 +25,4 @@ for (let k = 0; k < signals90.length; k++) {
             // signals90[k].sign === 1 &&
-            checkMatch(correlations[i].signal.delta, signals90[k].delta, toleranceAtomType)) {
+            correlationDelta !== undefined &&
+                checkMatch(correlationDelta, signals90[k].delta, toleranceAtomType)) {
                 match[0] = k;
@@ -29,3 +33,4 @@ break;
         for (let k = 0; k < signals135.length; k++) {
-            if (checkMatch(correlations[i].signal.delta, signals135[k].delta, toleranceAtomType)) {
+            if (correlationDelta !== undefined &&
+                checkMatch(correlationDelta, signals135[k].delta, toleranceAtomType)) {
                 match[1] = k;
@@ -38,3 +43,3 @@ break;
             // CH
-            correlations[i].protonsCount = [1];
+            correlation.protonsCount = [1];
             continue;
@@ -50,3 +55,3 @@ }
                     // CH3
-                    correlations[i].protonsCount = [3];
+                    correlation.protonsCount = [3];
                 }
@@ -56,3 +61,3 @@ else {
                     // CH or CH3
-                    correlations[i].protonsCount = [1, 3];
+                    correlation.protonsCount = [1, 3];
                 }
@@ -63,3 +68,3 @@ }
                 // CH2
-                correlations[i].protonsCount = [2];
+                correlation.protonsCount = [2];
             }
@@ -71,7 +76,7 @@ }
                 // qC
-                correlations[i].protonsCount = [0];
+                correlation.protonsCount = [0];
             }
             else {
                 // no information
-                correlations[i].protonsCount = [];
+                correlation.protonsCount = [];
             }
@@ -82,2 +87,2 @@ }
 }
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lib/build/buildCorrelationData.js

@@ -13,12 +13,12 @@ "use strict";
 function buildCorrelationData(spectra, options) {
-    const { tolerance = {}, mf = '', values: prevValues = [] } = options;
-    const values = spectra ? (0, buildValues_1.buildValues)(spectra, mf, tolerance, prevValues) : [];
+    const values = spectra ? (0, buildValues_1.buildValues)(spectra, options) : [];
     delete options.values;
+    delete options.skipDataUpdate;
     return {
         values,
         options,
-        state: (0, buildState_1.buildState)(values, mf),
+        state: (0, buildState_1.buildState)(values, options.mf || ''),
     };
 }
 exports.buildCorrelationData = buildCorrelationData;
-//# sourceMappingURL=data:application/json;base64,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lib/index.d.ts

@@ -12,2 +12,3 @@ export * from './build/buildCorrelationData';
 export * from './utilities/general/getAtomTypeFromNucleus';
+export * from './utilities/general/getCorrelationDelta';
 export * from './utilities/general/getCorrelationIndex';
@@ -17,3 +18,5 @@ export * from './utilities/general/getCorrelationsByAtomType';
 export * from './utilities/general/getLabels';
+export * from './utilities/general/getLinkDelta';
+export * from './utilities/general/getLinkDim';
 export * from './utilities/general/isEditedHSQC';
 export * as Types from './types/index';

lib/index.js

@@ -37,2 +37,3 @@ "use strict";
 __exportStar(require("./utilities/general/getAtomTypeFromNucleus"), exports);
+__exportStar(require("./utilities/general/getCorrelationDelta"), exports);
 __exportStar(require("./utilities/general/getCorrelationIndex"), exports);
@@ -42,4 +43,6 @@ __exportStar(require("./utilities/general/getCorrelationsByAtomType"), exports);
 __exportStar(require("./utilities/general/getLabels"), exports);
+__exportStar(require("./utilities/general/getLinkDelta"), exports);
+__exportStar(require("./utilities/general/getLinkDim"), exports);
 __exportStar(require("./utilities/general/isEditedHSQC"), exports);
 exports.Types = __importStar(require("./types/index"));
-//# sourceMappingURL=data:application/json;base64,eyJ2ZXJzaW9uIjozLCJmaWxlIjoiaW5kZXguanMiLCJzb3VyY2VSb290IjoiIiwic291cmNlcyI6WyIuLi9zcmMvaW5kZXgudHMiXSwibmFtZXMiOltdLCJtYXBwaW5ncyI6Ijs7Ozs7Ozs7Ozs7Ozs7Ozs7Ozs7Ozs7OztBQUFBLCtEQUE2QztBQUU3QyxnRUFBOEM7QUFDOUMsK0RBQTZDO0FBRTdDLGtFQUFnRDtBQUNoRCwyRUFBeUQ7QUFDekQsb0VBQWtEO0FBQ2xELHFFQUFtRDtBQUNuRCx5RUFBdUQ7QUFFdkQsaUVBQStDO0FBQy9DLG9FQUFrRDtBQUNsRCw2RUFBMkQ7QUFDM0QsMEVBQXdEO0FBQ3hELGdGQUE4RDtBQUM5RCwrREFBNkM7QUFDN0MsZ0VBQThDO0FBQzlDLG1FQUFpRDtBQUVqRCx1REFBdUMifQ==
+//# sourceMappingURL=data:application/json;base64,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

lib/types/index.d.ts

 import { Correlation } from './correlation/correlation';
 import { CorrelationData } from './correlation/correlationData';
-import { CorrelationSignal } from './correlation/correlationSignal';
 import { Link } from './correlation/link';
@@ -22,2 +21,2 @@ import { Options } from './correlation/options';
 import { Zones } from './spectrum/zones';
-export { Correlation, CorrelationData, CorrelationSignal, Info1D, Info2D, Link, Options, Range, Ranges, Signal1D, Signal2D, Spectrum1D, Spectrum2D, Spectra, State, StateAtomType, StateAtomTypeError, Tolerance, Values, Zone, Zones, };
+export { Correlation, CorrelationData, Info1D, Info2D, Link, Options, Range, Ranges, Signal1D, Signal2D, Spectrum1D, Spectrum2D, Spectra, State, StateAtomType, StateAtomTypeError, Tolerance, Values, Zone, Zones, };

lib/utilities/build/__test__/buildValues.test.js

@@ -12,3 +12,4 @@ "use strict";
         const prevValues = [];
-        expect((0, buildValues_1.buildValues)(spectra, mf, tolerance, prevValues)).toStrictEqual([]);
+        const options = { tolerance, mf, values: prevValues };
+        expect((0, buildValues_1.buildValues)(spectra, options)).toStrictEqual([]);
     });
@@ -20,3 +21,4 @@ it('test 2, mf only', () => {
         const prevValues = [];
-        expect((0, buildValues_1.buildValues)(spectra, mf, tolerance, prevValues)).toHaveLength(4);
+        const options = { tolerance, mf, values: prevValues };
+        expect((0, buildValues_1.buildValues)(spectra, options)).toHaveLength(4);
     });
@@ -33,17 +35,21 @@ it('test 3, prev value (will be deleted)', () => {
         const prevValues = [correlation];
-        expect((0, buildValues_1.buildValues)(spectra, mf, tolerance, prevValues)).toStrictEqual([]);
+        const options = { tolerance, mf, values: prevValues };
+        expect((0, buildValues_1.buildValues)(spectra, options)).toStrictEqual([]);
     });
     it('test 4, spectra data: only take first 13C spectrum, no mf', () => {
         const tolerance = { C: 0.25, H: 0.05 };
-        expect((0, buildValues_1.buildValues)(spectraDataSet1_1.spectraDataSet1, '', tolerance, [])).toHaveLength(5);
+        const options = { tolerance };
+        expect((0, buildValues_1.buildValues)(spectraDataSet1_1.spectraDataSet1, options)).toHaveLength(5);
     });
     it('test 5, spectra data: only take first 13C spectrum, no mf, increased tolerance for H', () => {
         const tolerance = { C: 0.25, H: 0.1 };
-        expect((0, buildValues_1.buildValues)(spectraDataSet1_1.spectraDataSet1, '', tolerance, [])).toHaveLength(4);
+        const options = { tolerance };
+        expect((0, buildValues_1.buildValues)(spectraDataSet1_1.spectraDataSet1, options)).toHaveLength(4);
     });
     it('test 6, spectra data: only take first 13C spectrum, with mf', () => {
         const tolerance = { C: 0.25, H: 0.05 };
-        expect((0, buildValues_1.buildValues)(spectraDataSet1_1.spectraDataSet1, 'C6H6', tolerance, [])).toHaveLength(12);
+        const options = { tolerance, mf: 'C6H6' };
+        expect((0, buildValues_1.buildValues)(spectraDataSet1_1.spectraDataSet1, options)).toHaveLength(12);
     });
 });
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lib/utilities/build/__test__/sortCorrelations.test.js

@@ -9,3 +9,2 @@ "use strict";
         label: { origin: 'C1' },
-        signal: { delta: 30.2, id: 'id1' },
     });
@@ -15,3 +14,2 @@ const correlation2 = (0, buildCorrelation_1.buildCorrelation)({
         label: { origin: 'C2' },
-        signal: { delta: 40.7, id: 'id2' },
     });
@@ -21,3 +19,2 @@ const correlation3 = (0, buildCorrelation_1.buildCorrelation)({
         label: { origin: 'H1' },
-        signal: { delta: 1.0, id: 'id3' },
     });
@@ -27,3 +24,2 @@ const correlation4 = (0, buildCorrelation_1.buildCorrelation)({
         label: { origin: 'H2' },
-        signal: { delta: 2.1, id: 'id4' },
     });
@@ -39,2 +35,2 @@ it('test', () => {
 });
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lib/utilities/build/buildValues.d.ts

@@ -1,2 +0,2 @@
-import { Tolerance } from '../../types/correlation/tolerance';
+import { Options } from '../../types';
 import { Values } from '../../types/correlation/values';
@@ -12,2 +12,2 @@ import { Spectra } from '../../types/spectrum/spectra';
  */
-export declare function buildValues(spectra: Spectra, mf: string, tolerance: Tolerance, values: Values): Values;
+export declare function buildValues(spectra: Spectra, options: Options): Values;

lib/utilities/build/buildValues.js

@@ -6,6 +6,5 @@ "use strict";
 const getSignals_1 = require("../signals/getSignals");
-const addFromData1D_1 = require("./addFromData1D");
-const addFromData2D_1 = require("./addFromData2D");
+const addFromData_1 = require("./addFromData");
 const updatePseudoCorrelations_1 = require("./pseudo/updatePseudoCorrelations");
-const removeDeletedCorrelations_1 = require("./removeDeletedCorrelations");
+const removeObsoleteLinksAndNotLinkedCorrelations_1 = require("./removeObsoleteLinksAndNotLinkedCorrelations");
 const setAttachmentsAndProtonEquivalences_1 = require("./setAttachmentsAndProtonEquivalences");
@@ -23,11 +22,13 @@ const setLabels_1 = require("./setLabels");
  */
-function buildValues(spectra, mf, tolerance, values) {
+function buildValues(spectra, options) {
+    const { tolerance = {}, mf = '', values: prevValues = [] } = options;
     const signals = (0, getSignals_1.getSignals)(spectra);
-    let _correlations = values ? values.slice() : [];
-    // remove deleted correlations
-    _correlations = (0, removeDeletedCorrelations_1.removeDeletedCorrelations)(_correlations, signals.signals1D, signals.signals2D);
-    // add signals from either 1D or 2D if not already existing as correlation
-    // if a signal already exists then add a link within matched correlation
-    _correlations = (0, addFromData1D_1.addFromData1D)(_correlations, signals.signals1D, tolerance);
-    _correlations = (0, addFromData2D_1.addFromData2D)(_correlations, signals.signals2D, tolerance);
+    let _correlations = prevValues ? prevValues.slice() : [];
+    if (options.skipDataUpdate !== true) {
+        // remove obsolete links/correlations
+        _correlations = (0, removeObsoleteLinksAndNotLinkedCorrelations_1.removeObsoleteLinksAndNotLinkedCorrelations)(_correlations, signals.signals1D, signals.signals2D);
+        // add signals from either 1D or 2D if not already existing as correlation
+        // if a signal already exists then add a link within matched correlation
+        _correlations = (0, addFromData_1.addFromData)(_correlations, signals.signals1D, signals.signals2D, tolerance);
+    }
     // set the number of attached protons via DEPT or edited HSQC
@@ -48,2 +49,2 @@ _correlations = (0, setProtonsCountFromData_1.setProtonsCountFromData)(_correlations, signals.signalsDEPT, signals.signals2D, tolerance);
 exports.buildValues = buildValues;
-//# sourceMappingURL=data:application/json;base64,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
+//# sourceMappingURL=data:application/json;base64,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

lib/utilities/build/setMatches.js

@@ -44,3 +44,8 @@ "use strict";
     correlations.forEach((correlation) => {
-        const linksToRemove = correlation.link.filter((link) => link.match.length === 0 && link.experimentType !== '1d');
+        const linksToRemove = correlation.link.filter((link) => {
+            var _a;
+            return link.match.length === 0 &&
+                link.experimentType !== '1d' &&
+                ((_a = link.edited) === null || _a === void 0 ? void 0 : _a.moved) !== true;
+        });
         linksToRemove.forEach((link) => (0, removeLink_1.removeLink)(correlation, link.id));
@@ -51,2 +56,2 @@ });
 exports.setMatches = setMatches;
-//# sourceMappingURL=data:application/json;base64,eyJ2ZXJzaW9uIjozLCJmaWxlIjoic2V0TWF0Y2hlcy5qcyIsInNvdXJjZVJvb3QiOiIiLCJzb3VyY2VzIjpbIi4uLy4uLy4uL3NyYy91dGlsaXRpZXMvYnVpbGQvc2V0TWF0Y2hlcy50cyJdLCJuYW1lcyI6W10sIm1hcHBpbmdzIjoiOzs7Ozs7QUFBQSw2REFBMkM7QUFHM0Msc0RBQW1EO0FBQ25ELDBEQUF1RDtBQUN2RCxnRUFBNkQ7QUFDN0Qsd0VBQXFFO0FBQ3JFLG9GQUFpRjtBQUVqRjs7OztHQUlHO0FBQ0gsU0FBZ0IsVUFBVSxDQUFDLFlBQW9CO0lBQzdDLFlBQVksQ0FBQyxPQUFPLENBQUMsQ0FBQyxXQUFXLEVBQUUsRUFBRTtRQUNuQyxXQUFXLENBQUMsSUFBSSxDQUFDLE9BQU8sQ0FBQyxDQUFDLElBQUksRUFBRSxFQUFFO1lBQ2hDLGtDQUFrQztZQUNsQyxJQUFBLDZCQUFhLEVBQUMsSUFBSSxDQUFDLENBQUM7WUFDcEIsY0FBYztZQUNkLE1BQU0sYUFBYSxHQUNqQixJQUFJLENBQUMsSUFBSSxLQUFLLEdBQUcsQ0FBQyxDQUFDLENBQUMsSUFBSSxDQUFDLFFBQVEsQ0FBQyxDQUFDLENBQUMsQ0FBQyxDQUFDLENBQUMsSUFBSSxDQUFDLFFBQVEsQ0FBQyxDQUFDLENBQUMsQ0FBQztZQUMxRCxJQUFBLHFEQUF5QixFQUFDLFlBQVksRUFBRSxhQUFhLENBQUMsQ0FBQyxPQUFPLENBQzVELENBQUMsd0JBQXdCLEVBQUUsRUFBRTtnQkFDM0IsSUFBSSxXQUFXLENBQUMsRUFBRSxLQUFLLHdCQUF3QixDQUFDLEVBQUUsRUFBRTtvQkFDbEQsTUFBTSw2QkFBNkIsR0FBRyxJQUFBLHlDQUFtQixFQUN2RCxZQUFZLEVBQ1osd0JBQXdCLENBQ3pCLENBQUM7b0JBQ0Ysd0JBQXdCLENBQUMsSUFBSSxDQUFDLE9BQU8sQ0FBQyxDQUFDLGlCQUFpQixFQUFFLEVBQUU7d0JBQzFELDREQUE0RDt3QkFDNUQsSUFDRSxpQkFBaUIsQ0FBQyxjQUFjLEtBQUssSUFBSSxDQUFDLGNBQWM7NEJBQ3hELGlCQUFpQixDQUFDLFlBQVksS0FBSyxJQUFJLENBQUMsWUFBWTs0QkFDcEQsSUFBQSxpQkFBYSxFQUFDLGlCQUFpQixDQUFDLFFBQVEsRUFBRSxJQUFJLENBQUMsUUFBUSxDQUFDOzRCQUN4RCxpQkFBaUIsQ0FBQyxNQUFNLENBQUMsRUFBRSxLQUFLLElBQUksQ0FBQyxNQUFNLENBQUMsRUFBRTs0QkFDOUMsaUJBQWlCLENBQUMsSUFBSSxLQUFLLElBQUksQ0FBQyxJQUFJLEVBQ3BDOzRCQUNBLElBQUEsbUJBQVEsRUFBQyxJQUFJLEVBQUUsNkJBQTZCLENBQUMsQ0FBQzt5QkFDL0M7b0JBQ0gsQ0FBQyxDQUFDLENBQUM7aUJBQ0o7WUFDSCxDQUFDLENBQ0YsQ0FBQztRQUNKLENBQUMsQ0FBQyxDQUFDO0lBQ0wsQ0FBQyxDQUFDLENBQUM7SUFFSCxtQ0FBbUM7SUFDbkMsWUFBWSxDQUFDLE9BQU8sQ0FBQyxDQUFDLFdBQVcsRUFBRSxFQUFFO1FBQ25DLE1BQU0sYUFBYSxHQUFHLFdBQVcsQ0FBQyxJQUFJLENBQUMsTUFBTSxDQUMzQyxDQUFDLElBQUksRUFBRSxFQUFFLENBQUMsSUFBSSxDQUFDLEtBQUssQ0FBQyxNQUFNLEtBQUssQ0FBQyxJQUFJLElBQUksQ0FBQyxjQUFjLEtBQUssSUFBSSxDQUNsRSxDQUFDO1FBQ0YsYUFBYSxDQUFDLE9BQU8sQ0FBQyxDQUFDLElBQUksRUFBRSxFQUFFLENBQUMsSUFBQSx1QkFBVSxFQUFDLFdBQVcsRUFBRSxJQUFJLENBQUMsRUFBRSxDQUFDLENBQUMsQ0FBQztJQUNwRSxDQUFDLENBQUMsQ0FBQztJQUVILE9BQU8sWUFBWSxDQUFDO0FBQ3RCLENBQUM7QUExQ0QsZ0NBMENDIn0=
+//# sourceMappingURL=data:application/json;base64,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

lib/utilities/build/sortCorrelations.js

 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.sortCorrelations = void 0;
+const getCorrelationDelta_1 = require("../general/getCorrelationDelta");
 const getCorrelationsByAtomType_1 = require("../general/getCorrelationsByAtomType");
@@ -35,9 +36,16 @@ /**
     const compareCorrelations = (corr1, corr2) => {
-        if (corr1.pseudo === false && corr2.pseudo === false) {
-            if (corr1.signal.delta < corr2.signal.delta) {
-                return -1;
+        if (corr1.pseudo === false &&
+            corr2.pseudo === false &&
+            corr1.link.length > 0 &&
+            corr2.link.length > 0) {
+            const corr1Delta = (0, getCorrelationDelta_1.getCorrelationDelta)(corr1);
+            const corr2Delta = (0, getCorrelationDelta_1.getCorrelationDelta)(corr2);
+            if (corr1Delta !== undefined && corr2Delta !== undefined) {
+                if (corr1Delta < corr2Delta) {
+                    return -1;
+                }
+                else if (corr1Delta > corr2Delta) {
+                    return 1;
+                }
             }
-            else if (corr1.signal.delta > corr2.signal.delta) {
-                return 1;
-            }
         }
@@ -71,2 +79,2 @@ if (corr1.pseudo === false && corr2.pseudo === true) {
 exports.sortCorrelations = sortCorrelations;
-//# sourceMappingURL=data:application/json;base64,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
+//# sourceMappingURL=data:application/json;base64,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

lib/utilities/correlation/buildCorrelation.js

@@ -13,6 +13,3 @@ "use strict";
         id: options.id || (0, generateID_1.generateID)(),
-        experimentType: options.experimentType,
-        experimentID: options.experimentID,
         atomType: options.atomType,
-        signal: options.signal,
         label: options.label || {},
@@ -29,2 +26,2 @@ link: options.link || [],
 exports.buildCorrelation = buildCorrelation;
-//# sourceMappingURL=data:application/json;base64,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
+//# sourceMappingURL=data:application/json;base64,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

lib/utilities/correlation/buildLink.js

@@ -21,5 +21,6 @@ "use strict";
         pseudo: options.pseudo || false,
+        edited: options.edited || {},
     };
 }
 exports.buildLink = buildLink;
-//# sourceMappingURL=data:application/json;base64,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
+//# sourceMappingURL=data:application/json;base64,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

lib/utilities/correlation/setCorrelation.js

@@ -13,5 +13,10 @@ "use strict";
 function setCorrelation(data, id, correlation) {
-    const correlationIndex = data.values.findIndex((_correlation) => _correlation.id === id);
     const _values = data.values.slice();
-    _values.splice(correlationIndex, 1, (0, buildCorrelation_1.buildCorrelation)({ ...correlation }));
+    const correlationIndex = _values.findIndex((_correlation) => _correlation.id === id);
+    if (correlationIndex >= 0) {
+        _values.splice(correlationIndex, 1, (0, buildCorrelation_1.buildCorrelation)({ ...correlation }));
+    }
+    else {
+        _values.push(correlation);
+    }
     return {
@@ -24,2 +29,2 @@ values: _values,
 exports.setCorrelation = setCorrelation;
-//# sourceMappingURL=data:application/json;base64,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
+//# sourceMappingURL=data:application/json;base64,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

lib/utilities/protonsCount/setProtonsCount.js

@@ -5,2 +5,3 @@ "use strict";
 const checkMatch_1 = require("../general/checkMatch");
+const getCorrelationDelta_1 = require("../general/getCorrelationDelta");
 /**
@@ -17,6 +18,8 @@ * Sets proton counts from DEPT90 signals and DEPT135/edited HSQC signals.
     for (let i = 0; i < correlations.length; i++) {
-        if (correlations[i].edited.protonsCount) {
+        const correlation = correlations[i];
+        if (correlation.edited.protonsCount) {
             // do not overwrite a manually edited value
             continue;
         }
+        const correlationDelta = (0, getCorrelationDelta_1.getCorrelationDelta)(correlation);
         const match = [-1, -1];
@@ -26,3 +29,4 @@ for (let k = 0; k < signals90.length; k++) {
             // signals90[k].sign === 1 &&
-            (0, checkMatch_1.checkMatch)(correlations[i].signal.delta, signals90[k].delta, toleranceAtomType)) {
+            correlationDelta !== undefined &&
+                (0, checkMatch_1.checkMatch)(correlationDelta, signals90[k].delta, toleranceAtomType)) {
                 match[0] = k;
@@ -33,3 +37,4 @@ break;
         for (let k = 0; k < signals135.length; k++) {
-            if ((0, checkMatch_1.checkMatch)(correlations[i].signal.delta, signals135[k].delta, toleranceAtomType)) {
+            if (correlationDelta !== undefined &&
+                (0, checkMatch_1.checkMatch)(correlationDelta, signals135[k].delta, toleranceAtomType)) {
                 match[1] = k;
@@ -42,3 +47,3 @@ break;
             // CH
-            correlations[i].protonsCount = [1];
+            correlation.protonsCount = [1];
             continue;
@@ -54,3 +59,3 @@ }
                     // CH3
-                    correlations[i].protonsCount = [3];
+                    correlation.protonsCount = [3];
                 }
@@ -60,3 +65,3 @@ else {
                     // CH or CH3
-                    correlations[i].protonsCount = [1, 3];
+                    correlation.protonsCount = [1, 3];
                 }
@@ -67,3 +72,3 @@ }
                 // CH2
-                correlations[i].protonsCount = [2];
+                correlation.protonsCount = [2];
             }
@@ -75,7 +80,7 @@ }
                 // qC
-                correlations[i].protonsCount = [0];
+                correlation.protonsCount = [0];
             }
             else {
                 // no information
-                correlations[i].protonsCount = [];
+                correlation.protonsCount = [];
             }
@@ -87,2 +92,2 @@ }
 exports.setProtonsCount = setProtonsCount;
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package.json

 {
   "name": "nmr-correlation",
-  "version": "2.1.0",
+  "version": "2.1.1",
   "description": "Build and manipulation of correlations from 1D and 2D NMR data",
@@ -5,0 +5,0 @@ "main": "./lib/index.js",

src/build/__tests__/buildCorrelationData.test.ts

@@ -38,2 +38,22 @@ import { spectraDataSet1 } from '../../data/spectraDataSet1';
       id: result.values[0].id,
+      link: [
+        {
+          atomType: ['C'],
+          axis: undefined,
+          edited: {},
+          experimentID: 'spectrum13C',
+          experimentLabel: '',
+          experimentType: '1d',
+          id: result.values[0].link[0].id,
+          match: [],
+          pseudo: false,
+          signal: {
+            delta: 16.4,
+            id: 'spectrum13C_range2_1',
+            kind: 'signal',
+            multiplicity: 'q',
+            peaks: [],
+          },
+        },
+      ],
     };
@@ -48,2 +68,22 @@ const _expectedCorrelationC2: Correlation = {
       id: result.values[2].id,
+      link: [
+        {
+          atomType: ['C'],
+          axis: undefined,
+          edited: {},
+          experimentID: 'spectrum13C',
+          experimentLabel: '',
+          experimentType: '1d',
+          id: result.values[2].link[0].id,
+          match: [],
+          pseudo: false,
+          signal: {
+            delta: 110.9,
+            id: 'spectrum13C_range1_1',
+            kind: 'signal',
+            multiplicity: 'd',
+            peaks: [],
+          },
+        },
+      ],
     };
@@ -53,7 +93,47 @@ const _expectedCorrelationH1: Correlation = {
       id: result.values[3].id,
+      link: [
+        {
+          atomType: ['H'],
+          axis: undefined,
+          edited: {},
+          experimentID: 'spectrum1H',
+          experimentLabel: '',
+          experimentType: '1d',
+          id: result.values[3].link[0].id,
+          match: [],
+          pseudo: false,
+          signal: {
+            delta: 1.7,
+            id: 'spectrum1H_range1_1',
+            kind: 'signal',
+            multiplicity: 'd',
+            peaks: [],
+          },
+        },
+        { ...expectedCorrelationH1.link[0], id: result.values[3].link[1].id },
+      ],
     };
-    _expectedCorrelationH1.link[0].id = result.values[3].link[0].id;
     const _expectedCorrelationH2: Correlation = {
       ...expectedCorrelationH2,
       id: result.values[4].id,
+      link: [
+        {
+          atomType: ['H'],
+          axis: undefined,
+          edited: {},
+          experimentID: 'spectrum1H',
+          experimentLabel: '',
+          experimentType: '1d',
+          id: result.values[4].link[0].id,
+          match: [],
+          pseudo: false,
+          signal: {
+            delta: 1.8,
+            id: 'spectrum1H_range1_2',
+            kind: 'signal',
+            multiplicity: 'd',
+            peaks: [],
+          },
+        },
+      ],
     };
@@ -88,2 +168,22 @@
       protonsCount: [1, 3], // there is no DEPT90 signal: we can not not distinguish between one or three
+      link: [
+        {
+          atomType: ['C'],
+          axis: undefined,
+          edited: {},
+          experimentID: 'spectrum13C',
+          experimentLabel: '',
+          experimentType: '1d',
+          id: result.values[0].link[0].id,
+          match: [],
+          pseudo: false,
+          signal: {
+            delta: 16.4,
+            id: 'spectrum13C_range2_1',
+            kind: 'signal',
+            multiplicity: 'q',
+            peaks: [],
+          },
+        },
+      ],
     };
@@ -99,3 +199,23 @@ const _expectedCorrelationC2: Correlation = {
       id: result.values[2].id,
-      protonsCount: [0], // no signal in DEP90 or DEPT135
+      protonsCount: [0], // no signal in DEP90 or DEPT135,
+      link: [
+        {
+          atomType: ['C'],
+          axis: undefined,
+          edited: {},
+          experimentID: 'spectrum13C',
+          experimentLabel: '',
+          experimentType: '1d',
+          id: result.values[2].link[0].id,
+          match: [],
+          pseudo: false,
+          signal: {
+            delta: 110.9,
+            id: 'spectrum13C_range1_1',
+            kind: 'signal',
+            multiplicity: 'd',
+            peaks: [],
+          },
+        },
+      ],
     };
@@ -106,7 +226,69 @@ const _expectedCorrelationH1: Correlation = {
       equivalence: 2,
+      link: [
+        {
+          atomType: ['H'],
+          axis: undefined,
+          edited: {},
+          experimentID: 'spectrum1H',
+          experimentLabel: '',
+          experimentType: '1d',
+          id: result.values[3].link[0].id,
+          match: [],
+          pseudo: false,
+          signal: {
+            delta: 1.7,
+            id: 'spectrum1H_range1_1',
+            kind: 'signal',
+            multiplicity: 'd',
+            peaks: [],
+          },
+        },
+        {
+          atomType: ['H', 'C'],
+          axis: 'x',
+          edited: {},
+          experimentID: 'spectrumHSQC',
+          experimentLabel: '',
+          experimentType: 'hsqc',
+          id: result.values[3].link[1].id,
+          match: [1],
+          pseudo: false,
+          signal: {
+            id: 'spectrumHSQC_zone1_1',
+            kind: 'signal',
+            peaks: [],
+            sign: 0,
+            x: {
+              delta: 1.7,
+            },
+            y: {
+              delta: 51.3,
+            },
+          },
+        },
+      ],
     };
-    _expectedCorrelationH1.link[0].id = result.values[3].link[0].id;
     const _expectedCorrelationH2: Correlation = {
       ...expectedCorrelationH2,
       id: result.values[4].id,
+      link: [
+        {
+          atomType: ['H'],
+          axis: undefined,
+          edited: {},
+          experimentID: 'spectrum1H',
+          experimentLabel: '',
+          experimentType: '1d',
+          id: result.values[4].link[0].id,
+          match: [],
+          pseudo: false,
+          signal: {
+            delta: 1.8,
+            id: 'spectrum1H_range1_2',
+            kind: 'signal',
+            multiplicity: 'd',
+            peaks: [],
+          },
+        },
+      ],
     };
@@ -126,8 +308,2 @@
     atomType: 'C',
-    experimentType: '1d',
-    experimentID: 'spectrum13C',
-    signal: {
-      id: 'spectrum13C_range2_1',
-      delta: 16.4,
-    },
     label: { origin: 'C1' },
@@ -137,9 +313,2 @@ });
     atomType: 'C',
-    experimentType: 'hsqc',
-    experimentID: 'spectrumHSQC',
-    signal: {
-      id: 'spectrumHSQC_zone1_1',
-      delta: 51.3,
-      sign: 0,
-    },
     label: { origin: 'C2' },
@@ -168,2 +337,3 @@ attachment: { H: [3] },
         },
+        edited: {},
       }),
@@ -174,8 +344,2 @@ ],
     atomType: 'C',
-    experimentType: '1d',
-    experimentID: 'spectrum13C',
-    signal: {
-      id: 'spectrum13C_range1_1',
-      delta: 110.9,
-    },
     label: { origin: 'C3' },
@@ -185,9 +349,2 @@ });
     atomType: 'H',
-    experimentType: 'hsqc',
-    experimentID: 'spectrumHSQC',
-    signal: {
-      id: 'spectrumHSQC_zone1_1',
-      delta: 1.7,
-      sign: 0,
-    },
     label: { origin: 'H1' },
@@ -216,2 +373,3 @@ attachment: { C: [1] },
         },
+        edited: {},
       }),
@@ -222,8 +380,2 @@ ],
     atomType: 'H',
-    experimentType: '1d',
-    experimentID: 'spectrum1H',
-    signal: {
-      id: 'spectrum1H_range1_2',
-      delta: 1.8,
-    },
     label: { origin: 'H2' },
@@ -288,13 +440,12 @@ });
       atomType: 'C',
-      experimentType: 'hsqc',
-      experimentID: 'spectrumEditedHSQC',
-      signal: {
-        id: 'spectrumEditedHSQC_zone1_1',
-        delta: 16.4,
-        sign: 1,
-      },
       label: { origin: 'C1' },
       attachment: { H: [2] },
       link: [
-        { ...link1, axis: 'y', match: [2], id: result.values[0].link[0].id },
+        {
+          ...link1,
+          axis: 'y',
+          match: [2],
+          id: result.values[0].link[0].id,
+          edited: {},
+        },
       ],
@@ -306,13 +457,12 @@ protonsCount: [1, 3],
       atomType: 'C',
-      experimentType: 'hsqc',
-      experimentID: 'spectrumEditedHSQC',
-      signal: {
-        id: 'spectrumEditedHSQC_zone2_1',
-        delta: 51.3,
-        sign: -1,
-      },
       label: { origin: 'C2' },
       attachment: { H: [3] },
       link: [
-        { ...link2, axis: 'y', match: [3], id: result.values[1].link[0].id },
+        {
+          ...link2,
+          axis: 'y',
+          match: [3],
+          id: result.values[1].link[0].id,
+          edited: {},
+        },
       ],
@@ -324,13 +474,12 @@ protonsCount: [2],
       atomType: 'H',
-      experimentType: 'hsqc',
-      experimentID: 'spectrumEditedHSQC',
-      signal: {
-        id: 'spectrumEditedHSQC_zone1_1',
-        delta: 1.7,
-        sign: 1,
-      },
       label: { origin: 'H1' },
       attachment: { C: [0] },
       link: [
-        { ...link1, axis: 'x', match: [0], id: result.values[2].link[0].id },
+        {
+          ...link1,
+          axis: 'x',
+          match: [0],
+          id: result.values[2].link[0].id,
+          edited: {},
+        },
       ],
@@ -341,13 +490,12 @@ });
       atomType: 'H',
-      experimentType: 'hsqc',
-      experimentID: 'spectrumEditedHSQC',
-      signal: {
-        id: 'spectrumEditedHSQC_zone2_1',
-        delta: 1.8,
-        sign: -1,
-      },
       label: { origin: 'H2' },
       attachment: { C: [1] },
       link: [
-        { ...link2, axis: 'x', match: [1], id: result.values[3].link[0].id },
+        {
+          ...link2,
+          axis: 'x',
+          match: [1],
+          id: result.values[3].link[0].id,
+          edited: {},
+        },
       ],
@@ -354,0 +502,0 @@ equivalence: 2,

src/build/buildCorrelationData.ts

@@ -17,6 +17,6 @@ import { CorrelationData } from '../types/correlation/correlationData';
 ): CorrelationData {
-  const { tolerance = {}, mf = '', values: prevValues = [] } = options;
-  const values = spectra ? buildValues(spectra, mf, tolerance, prevValues) : [];
+  const values = spectra ? buildValues(spectra, options) : [];
 
   delete options.values;
+  delete options.skipDataUpdate;
 
@@ -26,4 +26,4 @@ return {
     options,
-    state: buildState(values, mf),
+    state: buildState(values, options.mf || ''),
   };
 }

src/index.ts

@@ -15,2 +15,3 @@ export * from './build/buildCorrelationData';
 export * from './utilities/general/getAtomTypeFromNucleus';
+export * from './utilities/general/getCorrelationDelta';
 export * from './utilities/general/getCorrelationIndex';
@@ -20,4 +21,6 @@ export * from './utilities/general/getCorrelationsByAtomType';
 export * from './utilities/general/getLabels';
+export * from './utilities/general/getLinkDelta';
+export * from './utilities/general/getLinkDim';
 export * from './utilities/general/isEditedHSQC';
 
 export * as Types from './types/index';

src/types/correlation/correlation.d.ts

 import { CorrelationAndLinkFields } from './correlationAndLinkFields';
-import { CorrelationSignal } from './correlationSignal';
 import { Link } from './link';
@@ -7,3 +6,2 @@
   atomType: string;
-  signal: CorrelationSignal;
   label: { [key: string]: string };
@@ -15,3 +13,2 @@ link: Array<Link>;
   hybridization: string;
-  edited: { [key: string]: boolean };
 }

src/types/correlation/correlationAndLinkFields.d.ts

 export interface CorrelationAndLinkFields {
   id: string;
-  experimentType: string;
-  experimentID: string;
   pseudo: boolean;
+  edited: { [key: string]: boolean };
 }

src/types/correlation/correlationAndLinkOptions.d.ts

 export interface CorrelationAndLinkOptions {
   id?: string;
-  experimentType?: string;
-  experimentID?: string;
   pseudo?: boolean;
+  edited?: { [key: string]: boolean };
 }

src/types/correlation/correlationOptions.d.ts

 import { CorrelationAndLinkOptions } from './correlationAndLinkOptions';
-import { CorrelationSignal } from './correlationSignal';
 import { Link } from './link';
@@ -7,3 +6,2 @@
   atomType?: string;
-  signal?: CorrelationSignal;
   label?: { [key: string]: string };
@@ -15,3 +13,2 @@ link?: Array<Link>;
   hybridization?: string;
-  edited?: { [key: string]: boolean };
 }

src/types/correlation/link.d.ts

@@ -9,5 +9,7 @@ import { Signal1D } from '../spectrum/signal1D';
   signal: Signal1D | Signal2D;
-  axis: string;
+  axis: string | undefined;
   match: Array<number>;
   experimentLabel: string;
+  experimentType: string;
+  experimentID: string;
 }

src/types/correlation/linkOptions.d.ts

@@ -8,2 +8,4 @@ import { Signal1D } from '../spectrum/signal1D';
   atomType?: Array<string>;
+  experimentType?: string;
+  experimentID?: string;
   signal?: Signal1D | Signal2D;
@@ -10,0 +12,0 @@ axis?: string;

src/types/correlation/options.d.ts

@@ -9,2 +9,3 @@ import { Values } from '..';
   values?: Values;
+  skipDataUpdate?: boolean;
 }

src/types/index.ts

 import { Correlation } from './correlation/correlation';
 import { CorrelationData } from './correlation/correlationData';
-import { CorrelationSignal } from './correlation/correlationSignal';
 import { Link } from './correlation/link';
@@ -26,3 +25,2 @@ import { Options } from './correlation/options';
   CorrelationData,
-  CorrelationSignal,
   Info1D,
@@ -29,0 +27,0 @@ Info2D,

src/utilities/build/__test__/buildValues.test.ts

 import { spectraDataSet1 } from '../../../data/spectraDataSet1';
-import { Spectra, Tolerance, Values } from '../../../types/index';
+import { Options, Spectra, Tolerance, Values } from '../../../types/index';
 import { buildCorrelation } from '../../correlation/buildCorrelation';
@@ -12,3 +12,4 @@ import { buildValues } from '../buildValues';
     const prevValues: Values = [];
-    expect(buildValues(spectra, mf, tolerance, prevValues)).toStrictEqual([]);
+    const options: Options = { tolerance, mf, values: prevValues };
+    expect(buildValues(spectra, options)).toStrictEqual([]);
   });
@@ -21,3 +22,4 @@
     const prevValues: Values = [];
-    expect(buildValues(spectra, mf, tolerance, prevValues)).toHaveLength(4);
+    const options: Options = { tolerance, mf, values: prevValues };
+    expect(buildValues(spectra, options)).toHaveLength(4);
   });
@@ -35,3 +37,4 @@
     const prevValues: Values = [correlation];
-    expect(buildValues(spectra, mf, tolerance, prevValues)).toStrictEqual([]);
+    const options: Options = { tolerance, mf, values: prevValues };
+    expect(buildValues(spectra, options)).toStrictEqual([]);
   });
@@ -41,3 +44,4 @@
     const tolerance: Tolerance = { C: 0.25, H: 0.05 };
-    expect(buildValues(spectraDataSet1, '', tolerance, [])).toHaveLength(5);
+    const options: Options = { tolerance };
+    expect(buildValues(spectraDataSet1, options)).toHaveLength(5);
   });
@@ -47,3 +51,4 @@
     const tolerance: Tolerance = { C: 0.25, H: 0.1 };
-    expect(buildValues(spectraDataSet1, '', tolerance, [])).toHaveLength(4);
+    const options: Options = { tolerance };
+    expect(buildValues(spectraDataSet1, options)).toHaveLength(4);
   });
@@ -53,6 +58,5 @@
     const tolerance: Tolerance = { C: 0.25, H: 0.05 };
-    expect(buildValues(spectraDataSet1, 'C6H6', tolerance, [])).toHaveLength(
-      12,
-    );
+    const options: Options = { tolerance, mf: 'C6H6' };
+    expect(buildValues(spectraDataSet1, options)).toHaveLength(12);
   });
 });

src/utilities/build/__test__/sortCorrelations.test.ts

@@ -8,3 +8,2 @@ import { buildCorrelation } from '../../correlation/buildCorrelation';
     label: { origin: 'C1' },
-    signal: { delta: 30.2, id: 'id1' },
   });
@@ -14,3 +13,2 @@ const correlation2 = buildCorrelation({
     label: { origin: 'C2' },
-    signal: { delta: 40.7, id: 'id2' },
   });
@@ -20,3 +18,2 @@ const correlation3 = buildCorrelation({
     label: { origin: 'H1' },
-    signal: { delta: 1.0, id: 'id3' },
   });
@@ -26,3 +23,2 @@ const correlation4 = buildCorrelation({
     label: { origin: 'H2' },
-    signal: { delta: 2.1, id: 'id4' },
   });
@@ -29,0 +25,0 @@ it('test', () => {

src/utilities/build/buildValues.ts

@@ -1,2 +0,2 @@
-import { Tolerance } from '../../types/correlation/tolerance';
+import { Options } from '../../types';
 import { Values } from '../../types/correlation/values';
@@ -8,6 +8,5 @@ import { ExperimentSignals } from '../../types/experiment/experimentSignals';
 
-import { addFromData1D } from './addFromData1D';
-import { addFromData2D } from './addFromData2D';
+import { addFromData } from './addFromData';
 import { updatePseudoCorrelations } from './pseudo/updatePseudoCorrelations';
-import { removeDeletedCorrelations } from './removeDeletedCorrelations';
+import { removeObsoleteLinksAndNotLinkedCorrelations } from './removeObsoleteLinksAndNotLinkedCorrelations';
 import { setAttachmentsAndProtonEquivalences } from './setAttachmentsAndProtonEquivalences';
@@ -26,21 +25,24 @@ import { setLabels } from './setLabels';
  */
-export function buildValues(
-  spectra: Spectra,
-  mf: string,
-  tolerance: Tolerance,
-  values: Values,
-): Values {
+export function buildValues(spectra: Spectra, options: Options): Values {
+  const { tolerance = {}, mf = '', values: prevValues = [] } = options;
   const signals: ExperimentSignals = getSignals(spectra);
 
-  let _correlations = values ? values.slice() : [];
-  // remove deleted correlations
-  _correlations = removeDeletedCorrelations(
-    _correlations,
-    signals.signals1D,
-    signals.signals2D,
-  );
-  // add signals from either 1D or 2D if not already existing as correlation
-  // if a signal already exists then add a link within matched correlation
-  _correlations = addFromData1D(_correlations, signals.signals1D, tolerance);
-  _correlations = addFromData2D(_correlations, signals.signals2D, tolerance);
+  let _correlations = prevValues ? prevValues.slice() : [];
+
+  if (options.skipDataUpdate !== true) {
+    // remove obsolete links/correlations
+    _correlations = removeObsoleteLinksAndNotLinkedCorrelations(
+      _correlations,
+      signals.signals1D,
+      signals.signals2D,
+    );
+    // add signals from either 1D or 2D if not already existing as correlation
+    // if a signal already exists then add a link within matched correlation
+    _correlations = addFromData(
+      _correlations,
+      signals.signals1D,
+      signals.signals2D,
+      tolerance,
+    );
+  }
   // set the number of attached protons via DEPT or edited HSQC
@@ -53,3 +55,2 @@ _correlations = setProtonsCountFromData(
   );
-
   // sort by atom type and shift value
@@ -56,0 +57,0 @@ _correlations = sortCorrelations(_correlations);

src/utilities/build/setMatches.ts

@@ -51,3 +51,6 @@ import lodashIsEqual from 'lodash/isEqual';
     const linksToRemove = correlation.link.filter(
-      (link) => link.match.length === 0 && link.experimentType !== '1d',
+      (link) =>
+        link.match.length === 0 &&
+        link.experimentType !== '1d' &&
+        link.edited?.moved !== true,
     );
@@ -54,0 +57,0 @@ linksToRemove.forEach((link) => removeLink(correlation, link.id));

src/utilities/build/sortCorrelations.ts

 import { Correlation } from '../../types/correlation/correlation';
 import { Values } from '../../types/correlation/values';
+import { getCorrelationDelta } from '../general/getCorrelationDelta';
 import { getCorrelationsByAtomType } from '../general/getCorrelationsByAtomType';
@@ -37,7 +38,16 @@
   const compareCorrelations = (corr1: Correlation, corr2: Correlation) => {
-    if (corr1.pseudo === false && corr2.pseudo === false) {
-      if (corr1.signal.delta < corr2.signal.delta) {
-        return -1;
-      } else if (corr1.signal.delta > corr2.signal.delta) {
-        return 1;
+    if (
+      corr1.pseudo === false &&
+      corr2.pseudo === false &&
+      corr1.link.length > 0 &&
+      corr2.link.length > 0
+    ) {
+      const corr1Delta = getCorrelationDelta(corr1);
+      const corr2Delta = getCorrelationDelta(corr2);
+      if (corr1Delta !== undefined && corr2Delta !== undefined) {
+        if (corr1Delta < corr2Delta) {
+          return -1;
+        } else if (corr1Delta > corr2Delta) {
+          return 1;
+        }
       }
@@ -44,0 +54,0 @@ }

src/utilities/correlation/buildCorrelation.ts

@@ -13,6 +13,3 @@ import { Correlation } from '../../types/correlation/correlation';
     id: options.id || generateID(),
-    experimentType: options.experimentType,
-    experimentID: options.experimentID,
     atomType: options.atomType,
-    signal: options.signal,
     label: options.label || {},
@@ -19,0 +16,0 @@ link: options.link || [],

src/utilities/correlation/buildLink.ts

@@ -21,3 +21,4 @@ import { Link } from '../../types/correlation/link';
     pseudo: options.pseudo || false,
+    edited: options.edited || {},
   } as Link;
 }

src/utilities/correlation/setCorrelation.ts

@@ -18,7 +18,11 @@ import { Correlation } from '../../types/correlation/correlation';
 ): CorrelationData {
-  const correlationIndex = data.values.findIndex(
+  const _values = data.values.slice();
+  const correlationIndex = _values.findIndex(
     (_correlation) => _correlation.id === id,
   );
-  const _values = data.values.slice();
-  _values.splice(correlationIndex, 1, buildCorrelation({ ...correlation }));
+  if (correlationIndex >= 0) {
+    _values.splice(correlationIndex, 1, buildCorrelation({ ...correlation }));
+  } else {
+    _values.push(correlation);
+  }
 
@@ -25,0 +29,0 @@ return {

src/utilities/protonsCount/setProtonsCount.ts

 import { Values } from '../../types/correlation/values';
 import { checkMatch } from '../general/checkMatch';
+import { getCorrelationDelta } from '../general/getCorrelationDelta';
 
@@ -20,6 +21,8 @@ /**
   for (let i = 0; i < correlations.length; i++) {
-    if (correlations[i].edited.protonsCount) {
+    const correlation = correlations[i];
+    if (correlation.edited.protonsCount) {
       // do not overwrite a manually edited value
       continue;
     }
+    const correlationDelta = getCorrelationDelta(correlation);
 
@@ -30,7 +33,4 @@ const match = [-1, -1];
         // signals90[k].sign === 1 &&
-        checkMatch(
-          correlations[i].signal.delta,
-          signals90[k].delta,
-          toleranceAtomType,
-        )
+        correlationDelta !== undefined &&
+        checkMatch(correlationDelta, signals90[k].delta, toleranceAtomType)
       ) {
@@ -43,7 +43,4 @@ match[0] = k;
       if (
-        checkMatch(
-          correlations[i].signal.delta,
-          signals135[k].delta,
-          toleranceAtomType,
-        )
+        correlationDelta !== undefined &&
+        checkMatch(correlationDelta, signals135[k].delta, toleranceAtomType)
       ) {
@@ -58,3 +55,3 @@ match[1] = k;
       // CH
-      correlations[i].protonsCount = [1];
+      correlation.protonsCount = [1];
       continue;
@@ -70,7 +67,7 @@ }
           // CH3
-          correlations[i].protonsCount = [3];
+          correlation.protonsCount = [3];
         } else {
           // in case of DEPT135 is given only
           // CH or CH3
-          correlations[i].protonsCount = [1, 3];
+          correlation.protonsCount = [1, 3];
         }
@@ -80,3 +77,3 @@ } else {
         // CH2
-        correlations[i].protonsCount = [2];
+        correlation.protonsCount = [2];
       }
@@ -87,6 +84,6 @@ } else {
         // qC
-        correlations[i].protonsCount = [0];
+        correlation.protonsCount = [0];
       } else {
         // no information
-        correlations[i].protonsCount = [];
+        correlation.protonsCount = [];
       }
@@ -93,0 +90,0 @@ }

No alert changes

Improved metrics

Total package byte prevSize

470707

increased by3.44%

Number of package files

331

increased by5.08%

Lines of code

7563

increased by4.3%

No dependency changes