nmr-processing 9.7.8 → 9.8.0

package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.js

@@ -17,7 +17,7 @@ function checkNMRSignal1D(signals) {
         'atoms',
     ];
     for (const signal of signals) {
-        for (let key of keys) {
+        for (const key of keys) {
             if (!signal[key])
                 throw new Error(`property ${key} does not exist`);
         }
@@ -29,7 +29,7 @@ export const getAllHydrogens = {
 };
 export async function buildAssignments(props) {
     const { spectra, molecule, restrictionByCS, timeout, minScore, nbAllowedUnAssigned = {}, maxSolutions, correlations, assignmentOrder, predictionOptions, predictions: inputPrediction = {}, targets, } = props;
-    let lowerBoundScore = minScore;
+    const lowerBoundScore = minScore;
     let store = {
         solutions: new TreeSet(comparator),
         nSolutions: 0,
@@ -37,7 +37,7 @@ export async function buildAssignments(props) {
     const pathLengthMatrix = getConnectivityMatrix(molecule, {
         pathLength: true,
     });
-    let infoByAtomType = {};
+    const infoByAtomType = {};
     const predictions = {};
     let possibleAssignmentMap = {};
     let diaIDPeerPossibleAssignment = {};
@@ -45,14 +45,14 @@ export async function buildAssignments(props) {
         for (const atomType of atomTypesToPredict) {
             const options = predictionOptions[atomType];
             const predictedSignals = inputPrediction[atomType];
-            let { joinedSignals } = predictedSignals
+            const { joinedSignals } = predictedSignals
                 ? { joinedSignals: predictedSignals }
                 : await predictor[atomType](molecule, options);
             checkNMRSignal1D(joinedSignals);
             if (!predictions[atomType])
                 predictions[atomType] = {};
             let totalHydrogens = 0;
-            for (let prediction of joinedSignals) {
+            for (const prediction of joinedSignals) {
                 const diaID = prediction.diaIDs[0];
                 const index = prediction.atoms[0];
                 const allHydrogens = getAllHydrogens[atomType](molecule, index);
@@ -65,7 +65,7 @@ export async function buildAssignments(props) {
                     pathLength: pathLengthMatrix[index],
                 };
             }
-            for (let diaID in predictions[atomType]) {
+            for (const diaID in predictions[atomType]) {
                 predictions[atomType][diaID].allHydrogens *= 100 / totalHydrogens;
             }
             infoByAtomType[atomType] = {
@@ -83,13 +83,13 @@ export async function buildAssignments(props) {
         for (const atomType in possibleAssignmentMap) {
             diaIDPeerPossibleAssignment[atomType] = Object.keys(possibleAssignmentMap[atomType]);
         }
-        let sourceOfPartials = getSourceOfPartials(store, infoByAtomType, atomTypesToPredict);
+        const sourceOfPartials = getSourceOfPartials(store, infoByAtomType, atomTypesToPredict);
         store = {
             solutions: new TreeSet(comparator),
             nSolutions: 0,
         };
         const timeStart = Date.now();
-        for (let partial of sourceOfPartials) {
+        for (const partial of sourceOfPartials) {
             exploreTree({
                 currentAtomTypes: atomTypesToPredict,
                 restrictionByCS,
@@ -120,7 +120,7 @@ function annotateSpectraData(input) {
     for (const atomType of atomTypes) {
         const targetByAtomType = targets[atomType];
         for (const targetId in targetByAtomType) {
-            let target = targetByAtomType[targetId];
+            const target = targetByAtomType[targetId];
             for (const link of target.link) {
                 const signalId = link.signal.id;
                 if (mapSignalId[signalId])
@@ -130,7 +130,7 @@ function annotateSpectraData(input) {
         }
     }
     const result = [];
-    for (let solution of solutions.elements) {
+    for (const solution of solutions.elements) {
         const spectraResult = JSON.parse(JSON.stringify(spectra));
         const { assignment, score } = solution;
         const atomTypes = Object.keys(assignment);
@@ -143,13 +143,13 @@ function annotateSpectraData(input) {
                     continue;
                 const target = targetByAtomType[targetID];
                 const diaId = diaIDPeerPossibleAssignment[atomType][index];
-                for (let link of target.link) {
+                for (const link of target.link) {
                     const { spectrumIndex, elementIndex, signalIndex } = mapSignalId[link.signal.id];
                     const spectrum = spectraResult[spectrumIndex];
                     if (isSpectraData1D(spectrum)) {
-                        let { ranges } = spectrum;
-                        let range = ranges[elementIndex];
-                        let signal = range.signals[signalIndex];
+                        const { ranges } = spectrum;
+                        const range = ranges[elementIndex];
+                        const signal = range.signals[signalIndex];
                         if (!signal.diaIDs)
                             signal.diaIDs = [];
                         if (signal.diaIDs.includes(diaId))
@@ -178,7 +178,7 @@ function annotateSpectraData(input) {
 function getSourceOfPartials(store, infoByAtomType, currentAtoms) {
     return store.nSolutions > 0
         ? store.solutions.elements.map((e) => {
-            let currentAssignment = e.assignment;
+            const currentAssignment = e.assignment;
             for (const atom of currentAtoms) {
                 currentAssignment[atom] = fillPartial(infoByAtomType[atom].nSources);
             }

package/lib-esm/assignment/utils/generalAssignment/buildAssignments.js.map

@@ -0,0 +1 @@
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package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/checkIDs.js

@@ -1,19 +1,19 @@
 import { v4 as generateID } from '@lukeed/uuid';
 import { isSpectraData1D } from './isSpectraData1D';
 export function checkIDs(input = []) {
-    let inputClone = JSON.parse(JSON.stringify(input));
-    let spectra = [];
+    const inputClone = JSON.parse(JSON.stringify(input));
+    const spectra = [];
     for (const spectraData of inputClone) {
         if (!('info' in spectraData)) {
             throw new Error('each spectrum should contain info properties with nucleus information');
         }
         const { info, id } = spectraData;
         if (isSpectraData1D(spectraData)) {
-            let ranges = addIDs(spectraData.ranges);
+            const ranges = addIDs(spectraData.ranges);
             spectra.push({ id, info, ranges });
         }
         else {
-            let data = addIDs(spectraData.zones);
+            const data = addIDs(spectraData.zones);
             spectra.push({ id, info, zones: data });
         }
     }
@@ -23,7 +23,7 @@ export function hasIDs(data) {
     for (const element of data) {
         if (!element.id)
             throw new Error('A range/zone has not an ID');
-        for (let signal of element.signals || []) {
+        for (const signal of element.signals || []) {
             if (!signal.id)
                 throw new Error('A signal has not an ID');
         }
@@ -33,7 +33,7 @@ export function addIDs(data) {
     for (const element of data) {
         if (!element.id)
             element.id = generateID();
-        for (let signal of element.signals || []) {
+        for (const signal of element.signals || []) {
             if (!signal.id)
                 signal.id = generateID();
         }

package/lib-esm/assignment/utils/generalAssignment/checkIDs.js.map

@@ -0,0 +1 @@
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package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.js

@@ -4,17 +4,17 @@ export function createMapPossibleAssignment(expandMap, props) {
     const { tolerance: toleranceCS, chemicalShiftRestriction } = restrictionByCS;
     const atomTypes = Object.keys(predictions);
     for (const atomType of atomTypes) {
-        let errorAbs = toleranceCS[atomType];
-        let predictionByAtomType = predictions[atomType];
-        let targetByAtomType = targets[atomType];
+        const errorAbs = toleranceCS[atomType];
+        const predictionByAtomType = predictions[atomType];
+        const targetByAtomType = targets[atomType];
         if (!expandMap[atomType])
             expandMap[atomType] = {};
         for (const diaID in predictionByAtomType) {
-            let prediction = predictionByAtomType[diaID];
+            const prediction = predictionByAtomType[diaID];
             expandMap[atomType][diaID] = [];
             if (targetByAtomType) {
                 for (const targetID in targetByAtomType) {
-                    let target = targetByAtomType[targetID];
+                    const target = targetByAtomType[targetID];
                     const { nbAtoms, protonsCount: protonsCountFromPrediction } = prediction;
                     const { integration, protonsCount } = target;
                     const couldBeAssigned = !integration
@@ -31,11 +31,11 @@ export function createMapPossibleAssignment(expandMap, props) {
                             expandMap[atomType][diaID].push(targetID);
                         }
                         else {
-                            let targetDelta = getCorrelationDelta(target);
+                            const targetDelta = getCorrelationDelta(target);
                             if (targetDelta === undefined) {
                                 throw new Error(`Correlation has not delta`);
                             }
-                            let distAfterLimit = Math.abs(prediction.delta - targetDelta - errorAbs);
+                            const distAfterLimit = Math.abs(prediction.delta - targetDelta - errorAbs);
                             if (distAfterLimit < 4 * errorAbs) {
                                 expandMap[atomType][diaID].push(targetID);
                             }

package/lib-esm/assignment/utils/generalAssignment/createMapPossibleAssignment.js.map

@@ -0,0 +1 @@
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package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/exploreTree.js

@@ -13,9 +13,9 @@ export function exploreTree(props, infoByAtomTypes, partial, store) {
         }
         const diaID = diaIDPeerPossibleAssignment[atomType][currentIndex];
         const possibleAssignments = possibleAssignmentMap[atomType][diaID];
-        for (let targetID of possibleAssignments) {
+        for (const targetID of possibleAssignments) {
             partial[atomType][currentIndex] = targetID;
-            let score = partialScore(partial, {
+            const score = partialScore(partial, {
                 diaIDPeerPossibleAssignment,
                 infoByAtomTypes,
                 restrictionByCS,
@@ -51,11 +51,10 @@ export function exploreTree(props, infoByAtomTypes, partial, store) {
     }
 }
 function addSolution(store, props) {
-    let { score, maxSolutions, partial, predictions } = props;
-    score /= doubleAssignmentPenalty(partial, predictions);
-    let solution = {
+    const { score, maxSolutions, partial, predictions } = props;
+    const solution = {
         assignment: JSON.parse(JSON.stringify(partial)),
-        score,
+        score: score / doubleAssignmentPenalty(partial, predictions),
     };
     if (store.nSolutions >= maxSolutions) {
         if (solution.score > store.solutions.last().score) {
@@ -80,7 +79,7 @@ function doubleAssignmentPenalty(partial, predictions) {
     let nbDoubleAssignment = 0;
     for (const atomType in predictions) {
         const nbSources = Object.keys(predictions[atomType]).length;
-        let assignments = new Set(partial[atomType]);
+        const assignments = new Set(partial[atomType]);
         nbDoubleAssignment += nbSources - assignments.size;
     }
     return nbDoubleAssignment > 0 ? 2 * nbDoubleAssignment : 1;

package/lib-esm/assignment/utils/generalAssignment/exploreTree.js.map

@@ -0,0 +1 @@
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package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/formatData.js

@@ -1,7 +1,7 @@
 import { isSpectraData1D } from './isSpectraData1D';
 export function formatData(input = []) {
-    let inputClone = JSON.parse(JSON.stringify(input));
-    let spectra = [];
+    const inputClone = JSON.parse(JSON.stringify(input));
+    const spectra = [];
     for (const spectraData of inputClone) {
         const { id, info } = spectraData;
         if (isSpectraData1D(spectraData)) {
@@ -21,13 +21,13 @@ export function formatData(input = []) {
 function rescaleIntegration(spectrum) {
     if (spectrum.info.nucleus !== '1H')
         return spectrum.ranges;
-    let totalIntegration = spectrum.ranges.reduce((total, range) => (range.integration ? total + range.integration : total), 0);
-    for (let range of spectrum.ranges) {
+    const totalIntegration = spectrum.ranges.reduce((total, range) => (range.integration ? total + range.integration : total), 0);
+    for (const range of spectrum.ranges) {
         if (range.integration) {
             range.integration *= 100 / totalIntegration;
             if (range.signals) {
                 const totalSignalIntegration = range.signals.reduce((total, signal) => signal.integration ? total + signal.integration : total, 0);
-                for (let signal of range.signals) {
+                for (const signal of range.signals) {
                     if (signal.integration) {
                         signal.integration *= range.integration / totalSignalIntegration;
                     }

package/lib-esm/assignment/utils/generalAssignment/formatData.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"formatData.js","sourceRoot":"","sources":["../../../../src/assignment/utils/generalAssignment/formatData.ts"],"names":[],"mappings":"AAQA,OAAO,EAAE,eAAe,EAAE,MAAM,mBAAmB,CAAC;AAapD,MAAM,UAAU,UAAU,CACxB,QAA8B,EAAE;IAEhC,MAAM,UAAU,GAAG,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,CAAyB,CAAC;IAC7E,MAAM,OAAO,GAA2B,EAAE,CAAC;IAC3C,KAAK,MAAM,WAAW,IAAI,UAAU,EAAE;QACpC,MAAM,EAAE,EAAE,EAAE,IAAI,EAAE,GAAG,WAAW,CAAC;QACjC,IAAI,eAAe,CAAC,WAAW,CAAC,EAAE;YAChC,MAAM,MAAM,GAAG,kBAAkB,CAAC;gBAChC,EAAE;gBACF,IAAI;gBACJ,MAAM,EAAE,WAAW,CAAC,MAAM;aAC3B,CAAC,CAAC;YACH,OAAO,CAAC,IAAI,CAAC,EAAE,EAAE,EAAE,IAAI,EAAE,MAAM,EAAE,EAAE,MAAM,EAAE,MAAM,EAAE,EAAE,CAAC,CAAC;SACxD;aAAM;YACL,OAAO,CAAC,IAAI,CAAC,EAAE,EAAE,EAAE,IAAI,EAAE,KAAK,EAAE,EAAE,MAAM,EAAE,WAAW,CAAC,KAAK,EAAE,EAAE,CAAC,CAAC;SAClE;KACF;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAED,SAAS,kBAAkB,CAAC,QAA8B;IACxD,IAAI,QAAQ,CAAC,IAAI,CAAC,OAAO,KAAK,IAAI;QAAE,OAAO,QAAQ,CAAC,MAAM,CAAC;IAE3D,MAAM,gBAAgB,GAAG,QAAQ,CAAC,MAAM,CAAC,MAAM,CAC7C,CAAC,KAAK,EAAE,KAAK,EAAE,EAAE,CAAC,CAAC,KAAK,CAAC,WAAW,CAAC,CAAC,CAAC,KAAK,GAAG,KAAK,CAAC,WAAW,CAAC,CAAC,CAAC,KAAK,CAAC,EACzE,CAAC,CACF,CAAC;IAEF,KAAK,MAAM,KAAK,IAAI,QAAQ,CAAC,MAAM,EAAE;QACnC,IAAI,KAAK,CAAC,WAAW,EAAE;YACrB,KAAK,CAAC,WAAW,IAAI,GAAG,GAAG,gBAAgB,CAAC;YAC5C,IAAI,KAAK,CAAC,OAAO,EAAE;gBACjB,MAAM,sBAAsB,GAAG,KAAK,CAAC,OAAO,CAAC,MAAM,CACjD,CAAC,KAAK,EAAE,MAAM,EAAE,EAAE,CAChB,MAAM,CAAC,WAAW,CAAC,CAAC,CAAC,KAAK,GAAG,MAAM,CAAC,WAAW,CAAC,CAAC,CAAC,KAAK,EACzD,CAAC,CACF,CAAC;gBACF,KAAK,MAAM,MAAM,IAAI,KAAK,CAAC,OAAO,EAAE;oBAClC,IAAI,MAAM,CAAC,WAAW,EAAE;wBACtB,MAAM,CAAC,WAAW,IAAI,KAAK,CAAC,WAAW,GAAG,sBAAsB,CAAC;qBAClE;yBAAM;wBACL,MAAM,CAAC,WAAW,GAAG,KAAK,CAAC,WAAW,CAAC;qBACxC;iBACF;aACF;SACF;KACF;IAED,OAAO,QAAQ,CAAC,MAAM,CAAC;AACzB,CAAC"}

package/lib-esm/assignment/utils/generalAssignment/getIntegrationOfAttachedProtons.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"getIntegrationOfAttachedProtons.js","sourceRoot":"","sources":["../../../../src/assignment/utils/generalAssignment/getIntegrationOfAttachedProtons.ts"],"names":[],"mappings":"AAIA,MAAM,UAAU,+BAA+B,CAC7C,MAAkC,EAClC,YAAoB;IAEpB,MAAM,EAAE,CAAC,EAAE,UAAU,GAAG,EAAE,EAAE,GAAG,MAAM,CAAC,UAAU,CAAC;IACjD,IAAI,WAAW,GAAG,CAAC,CAAC;IACpB,KAAK,MAAM,KAAK,IAAI,UAAU,EAAE;QAC9B,MAAM,WAAW,GAAG,YAAY,CAAC,KAAK,CAAC,CAAC;QACxC,WAAW,IAAI,MAAM,CAAC,WAAW,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,WAAW,CAAC,CAAC;KAC/D;IACD,OAAO,WAAW,CAAC;AACrB,CAAC"}

package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.js

@@ -9,7 +9,7 @@ export function getTargetsAndCorrelations(spectra, options = {}) {
     const { values: correlations } = buildCorrelationData(spectraData, {
         tolerance,
     });
-    let targets = {};
+    const targets = {};
     for (const correlation of correlations) {
         if (correlation.pseudo)
             continue;

package/lib-esm/assignment/utils/generalAssignment/getTargetsAndCorrelations.js.map

@@ -0,0 +1 @@
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package/lib-esm/assignment/utils/generalAssignment/getWorkFlow.js.map

@@ -0,0 +1 @@
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package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.js

@@ -1,20 +1,20 @@
 function groupCarbonTargetByIntegrationZone(activeDomainOnTarget, targets, correlations) {
-    let targetID = activeDomainOnTarget[0];
-    let { H: attachments = [] } = targets[targetID].attachment;
-    let targetByIntegral = [
+    const targetID = activeDomainOnTarget[0];
+    const { H: attachments = [] } = targets[targetID].attachment;
+    const targetByIntegral = [
         { targetIDs: [targetID], attachments: new Set(attachments) },
     ];
     for (let i = 1; i < activeDomainOnTarget.length; i++) {
-        let targetID = activeDomainOnTarget[i];
-        let target = targets[targetID];
-        let { H: attachments = [] } = target.attachment;
+        const targetID = activeDomainOnTarget[i];
+        const target = targets[targetID];
+        const { H: attachments = [] } = target.attachment;
         let alone = true;
-        for (let group of targetByIntegral) {
+        for (const group of targetByIntegral) {
             const pertain = attachments.some((attachment) => group.attachments.has(attachment));
             if (pertain) {
                 alone = false;
                 group.targetIDs.push(targetID);
-                for (let attachment of attachments) {
+                for (const attachment of attachments) {
                     group.attachments.add(attachment);
                 }
                 break;

package/lib-esm/assignment/utils/generalAssignment/groupCarbonTargetByIntegrationZone.js.map

@@ -0,0 +1 @@
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package/lib-esm/assignment/utils/generalAssignment/isSpectraData1D.js.map

@@ -0,0 +1 @@
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package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/partialScore.js

@@ -5,8 +5,8 @@ export function partialScore(partial, props) {
     const { tolerance: toleranceCS, useChemicalShiftScore } = restrictionByCS;
     let totalStarts = 0;
     let totalPartial = 0;
-    let partialInverse = {};
-    let activeDomainOnPrediction = {};
+    const partialInverse = {};
+    const activeDomainOnPrediction = {};
     const atomTypes = Object.keys(partial);
     for (const atomType of atomTypes) {
         let countStars = 0;
@@ -48,7 +48,7 @@ export function partialScore(partial, props) {
             targetByIntegral.push(...groupCarbonTargetByIntegrationZone(activeDomainOnTarget[atomType], targets[atomType], correlations));
         }
         else {
-            for (let targetID of activeDomainOnTarget[atomType]) {
+            for (const targetID of activeDomainOnTarget[atomType]) {
                 targetByIntegral.push({
                     atomType,
                     targetIDs: [targetID],
@@ -62,8 +62,8 @@ export function partialScore(partial, props) {
         if (integration === undefined || isNaN(integration))
             continue;
         let total = 0;
-        for (let targetID of group.targetIDs) {
-            let targetToSource = partialInverse[atomType][targetID];
+        for (const targetID of group.targetIDs) {
+            const targetToSource = partialInverse[atomType][targetID];
             for (const diaID of targetToSource) {
                 const { prediction, atomType: atomOfPrediction } = getPredictionByDiaID(diaID);
                 if (atomType === atomOfPrediction)
@@ -87,10 +87,10 @@ export function partialScore(partial, props) {
                 const targetID = partialPeerAtomType[index];
                 if (targetID && targetID !== '*') {
                     count++;
-                    let diaID = diaIDPeerPossibleAssignment[atomType][index];
-                    let source = predictions[atomType][diaID];
-                    let target = targetsPeerAtomType[targetID];
-                    let error = toleranceCS[atomType];
+                    const diaID = diaIDPeerPossibleAssignment[atomType][index];
+                    const source = predictions[atomType][diaID];
+                    const target = targetsPeerAtomType[targetID];
+                    const error = toleranceCS[atomType];
                     // if (source.error) {
                     //   error = Math.max(source.error, toleranceCS);
                     // }
@@ -122,7 +122,7 @@ export function partialScore(partial, props) {
     }
     let scoreOn2D = 0;
     if (howManyActived(activeDomainOnTarget) > 1) {
-        let andConstrains = {};
+        const andConstrains = {};
         let activeDomain = [];
         for (const atomType of Object.keys(activeDomainOnPrediction)) {
             activeDomain = activeDomain.concat(activeDomainOnPrediction[atomType].map((e) => ({ index: e, atomType })));
@@ -133,16 +133,16 @@ export function partialScore(partial, props) {
             for (let j = i + 1; j < activeDomain.length; j++) {
                 const { atomType: atomTypeJ, index: indexJ } = activeDomain[j];
                 const predictionJ = predictions[atomTypeJ][diaIDPeerPossibleAssignment[atomTypeJ][indexJ]];
-                let pathLength = predictionI.pathLength[predictionJ.diaIDIndex];
-                let isPossible = pathLength < 5;
-                let partialI = partial[atomTypeI][indexI];
-                let partialJ = partial[atomTypeJ][indexJ];
+                const pathLength = predictionI.pathLength[predictionJ.diaIDIndex];
+                const isPossible = pathLength < 5;
+                const partialI = partial[atomTypeI][indexI];
+                const partialJ = partial[atomTypeJ][indexJ];
                 if (!partialI || !partialJ)
                     continue;
-                let keyOnTargertMap = partialI > partialJ
+                const keyOnTargertMap = partialI > partialJ
                     ? `${partialJ} ${partialI}`
                     : `${partialI} ${partialJ}`;
-                let areLinked = checkLinking({
+                const areLinked = checkLinking({
                     from: {
                         targetID: partialI,
                         atomType: atomTypeI,
@@ -152,7 +152,7 @@ export function partialScore(partial, props) {
                         atomType: atomTypeJ,
                     },
                 }, targets);
-                let partialScore2D = isPossible
+                const partialScore2D = isPossible
                     ? areLinked
                         ? 1
                         : 0
@@ -165,7 +165,7 @@ export function partialScore(partial, props) {
             }
         }
         let sumAnd = 0;
-        for (let key in andConstrains) {
+        for (const key in andConstrains) {
             sumAnd += andConstrains[key];
         }
         scoreOn2D =
@@ -182,8 +182,8 @@ function checkLinking(partials, correlations) {
     const { from, to } = partials;
     if (from.targetID === to.targetID)
         return true;
-    let correlationI = correlations[from.atomType][from.targetID];
-    let correlationJ = correlations[to.atomType][to.targetID];
+    const correlationI = correlations[from.atomType][from.targetID];
+    const correlationJ = correlations[to.atomType][to.targetID];
     for (const linkJ of correlationJ.link) {
         for (const link of correlationI.link) {
             if (link.signal.id === linkJ.signal.id)

package/lib-esm/assignment/utils/generalAssignment/partialScore.js.map

@@ -0,0 +1 @@
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package/lib-esm/assignment/utils/generalAssignment/searchIndices.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"searchIndices.js","sourceRoot":"","sources":["../../../../src/assignment/utils/generalAssignment/searchIndices.ts"],"names":[],"mappings":"AAEA,OAAO,EAAE,eAAe,EAAE,MAAM,mBAAmB,CAAC;AAEpD,MAAM,UAAU,aAAa,CAAC,QAAgB,EAAE,OAAsB;IACpE,KAAK,IAAI,aAAa,GAAG,CAAC,EAAE,aAAa,GAAG,OAAO,CAAC,MAAM,EAAE,aAAa,EAAE,EAAE;QAC3E,MAAM,QAAQ,GAAG,OAAO,CAAC,aAAa,CAAC,CAAC;QACxC,MAAM,IAAI,GAAG,eAAe,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,QAAQ,CAAC,MAAM,CAAC,CAAC,CAAC,QAAQ,CAAC,KAAK,CAAC;QAC1E,KAAK,IAAI,YAAY,GAAG,CAAC,EAAE,YAAY,GAAG,IAAI,CAAC,MAAM,EAAE,YAAY,EAAE,EAAE;YACrE,MAAM,OAAO,GAAG,IAAI,CAAC,YAAY,CAAC,CAAC,OAAO,IAAI,EAAE,CAAC;YACjD,KAAK,IAAI,WAAW,GAAG,CAAC,EAAE,WAAW,GAAG,OAAO,CAAC,MAAM,EAAE,WAAW,EAAE,EAAE;gBACrE,IAAI,QAAQ,KAAK,OAAO,CAAC,WAAW,CAAC,CAAC,EAAE,EAAE;oBACxC,OAAO,EAAE,aAAa,EAAE,WAAW,EAAE,YAAY,EAAE,CAAC;iBACrD;aACF;SACF;KACF;IACD,MAAM,IAAI,KAAK,CAAC,8BAA8B,QAAQ,KAAK,CAAC,CAAC;AAC/D,CAAC"}

package/lib-esm/assignment/utils/{buildAssignments.js → oneDimensionalAssignment/buildAssignments.js}

@@ -11,9 +11,9 @@ export async function buildAssignments(props) {
         solutions: new TreeSet(comparator),
         nSolutions: 0,
     };
-    let nSources = joinedSignals.length;
+    const nSources = joinedSignals.length;
     const predictions = {};
-    for (let prediction of joinedSignals) {
+    for (const prediction of joinedSignals) {
         const diaID = prediction.diaIDs[0];
         const index = prediction.atoms[0];
         predictions[diaID] = {
@@ -33,7 +33,7 @@ export async function buildAssignments(props) {
         targets,
     });
     const diaIDPeerPossibleAssignment = Object.keys(possibleAssignmentMap);
-    let partial = fillPartial(nSources);
+    const partial = fillPartial(nSources);
     store = {
         solutions: new TreeSet(comparator),
         nSolutions: 0,
@@ -62,7 +62,7 @@ export async function buildAssignments(props) {
         const { assignment, score } = solution;
         const currentAssignment = JSON.parse(JSON.stringify(targets));
         for (let i = 0; i < assignment.length; i++) {
-            let range = currentAssignment[assignment[i]];
+            const range = currentAssignment[assignment[i]];
             if (!range.diaIDs)
                 range.diaIDs = [];
             if (assignment[i])

package/lib-esm/assignment/utils/oneDimensionalAssignment/buildAssignments.js.map

@@ -0,0 +1 @@
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package/lib-esm/assignment/utils/{createMapPossibleAssignments.js → oneDimensionalAssignment/createMapPossibleAssignments.js}

@@ -1,16 +1,16 @@
 export function createMapPossibleAssignments(props) {
     const { restrictionByCS, predictions, targets, useIntegrationRestriction } = props;
     const { tolerance: toleranceCS, chemicalShiftRestriction } = restrictionByCS;
-    let errorAbs = Math.abs(toleranceCS);
+    const errorAbs = Math.abs(toleranceCS);
     const expandMap = {};
     for (const diaID in predictions) {
-        let prediction = predictions[diaID];
+        const prediction = predictions[diaID];
         if (prediction.error)
             prediction.error = Math.abs(prediction.error);
         expandMap[diaID] = [];
         if (targets) {
             for (const targetID in targets) {
-                let target = targets[targetID];
+                const target = targets[targetID];
                 const { nbAtoms } = prediction;
                 const { integration } = target;
                 const couldBeAssigned = useIntegrationRestriction
@@ -32,7 +32,7 @@ export function createMapPossibleAssignments(props) {
                         const delta = target.signals && target.signals.length > 0
                             ? target.signals[0].delta
                             : (target.to + target.from) / 2;
-                        let distAfterLimit = Math.abs(prediction.delta - delta - errorAbs);
+                        const distAfterLimit = Math.abs(prediction.delta - delta - errorAbs);
                         if (distAfterLimit < 4 * errorAbs) {
                             expandMap[diaID].push(targetID);
                         }

package/lib-esm/assignment/utils/oneDimensionalAssignment/createMapPossibleAssignments.js.map

@@ -0,0 +1 @@
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package/lib-esm/assignment/utils/{exploreTreeRec.js → oneDimensionalAssignment/exploreTreeRec.js}

@@ -7,9 +7,9 @@ export function exploreTreeRec(props, currentIndex, partial, store) {
     }
     const diaID = diaIDPeerPossibleAssignment[currentIndex];
     const possibleAssignments = possibleAssignmentMap[diaID];
-    for (let targetID of possibleAssignments) {
+    for (const targetID of possibleAssignments) {
         partial[currentIndex] = targetID;
-        let score = partialScore(partial, {
+        const score = partialScore(partial, {
             useIntegrationRestriction,
             diaIDPeerPossibleAssignment,
             nbAllowedUnAssigned,
@@ -45,12 +45,11 @@ export function exploreTreeRec(props, currentIndex, partial, store) {
     }
 }
 function addSolution(store, props) {
-    let { score, maxSolutions, partial, predictions } = props;
-    score /= doubleAssignmentPenalty(partial, predictions);
+    const { score, maxSolutions, partial, predictions } = props;
     store.nSolutions++;
-    let solution = {
+    const solution = {
         assignment: JSON.parse(JSON.stringify(partial)),
-        score,
+        score: score / doubleAssignmentPenalty(partial, predictions),
     };
     if (store.nSolutions >= maxSolutions) {
         if (solution.score > store.solutions.last().score) {
@@ -65,8 +64,8 @@ function addSolution(store, props) {
 }
 function doubleAssignmentPenalty(partial, predictions) {
     const nbSources = Object.keys(predictions).length;
-    let assignments = new Set(partial);
-    let nbDoubleAssignment = nbSources - assignments.size;
+    const assignments = new Set(partial);
+    const nbDoubleAssignment = nbSources - assignments.size;
     return nbDoubleAssignment > 0 ? 2 * nbDoubleAssignment : 1;
 }
 //# sourceMappingURL=exploreTreeRec.js.map

package/lib-esm/assignment/utils/oneDimensionalAssignment/exploreTreeRec.js.map

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