refactor(spectra): submit payload for multi-save with spectra_list (#2993)

PiTrem · PiTrem · commit 96b2f7310d2d · 2026-03-05T13:56:58.000+01:00
diff --git a/app/javascript/src/apps/mydb/elements/details/ViewSpectra.js b/app/javascript/src/apps/mydb/elements/details/ViewSpectra.js
@@ -229,7 +229,7 @@ class ViewSpectra extends React.Component {
 
     const content = this.getContent();
     let built = content?.jcamp ? FN.buildData(content.jcamp) : null;
-  
+
     if (!built) {
       const listMuliSpcs = content?.listMuliSpcs;
       if (Array.isArray(listMuliSpcs) && listMuliSpcs.length) {
@@ -239,23 +239,23 @@ class ViewSpectra extends React.Component {
     }
     const entity = built?.entity;
     if (!entity) return [];
-  
+
     const features = entity?.features;
     const f0 = Array.isArray(features)
       ? features[0]
       : (features?.editPeak || features?.autoPeak || features) || {};
     const temperature = entity?.temperature;
-  
+
     let observeFrequency = Array.isArray(f0?.observeFrequency)
       ? f0.observeFrequency[0]
       : f0?.observeFrequency;
     const freq = Array.isArray(observeFrequency) ? observeFrequency[0] : observeFrequency;
     const freqStr = freq ? `${parseInt(freq, 10)} MHz, ` : '';
-  
+
     const boundary = (f0 && (typeof f0.maxY !== 'undefined') && (typeof f0.minY !== 'undefined'))
       ? { maxY: f0.maxY, minY: f0.minY }
       : undefined;
-  
+
     const mBody = body || FN.peaksBody({
       peaks,
       layout,
@@ -372,11 +372,11 @@ class ViewSpectra extends React.Component {
     ];
   }
 
-  writeCommon({
-    peaks, shift, scan, thres, analysis, layout, isAscend, decimal, body,
-    keepPred, isIntensity, multiplicity, integration, cyclicvoltaSt, curveSt,
-    waveLength, axesUnitsSt, detectorSt, dscMetaData,
-  }, isMpy = false) {
+  writeCommon(params, isMpy = false) {
+    const {
+      peaks, shift, layout, isAscend, decimal, body,
+      isIntensity, multiplicity, integration, cyclicvoltaSt, curveSt, waveLength
+    } = params;
     const { sample, handleSampleChanged } = this.props;
     const si = this.getSpcInfo();
     if (!si) return;
@@ -419,11 +419,7 @@ class ViewSpectra extends React.Component {
       });
     });
 
-    const cb = () => (
-      this.saveOp({
-        peaks, shift, scan, thres, analysis, keepPred, integration, multiplicity, cyclicvoltaSt, curveSt, layout, waveLength, axesUnitsSt, detectorSt, dscMetaData,
-      })
-    );
+    const cb = () => this.saveOp(params);
     handleSampleChanged(sample, cb);
   }
 
@@ -458,60 +454,166 @@ class ViewSpectra extends React.Component {
     this.writeCommon(params, isMpy);
   }
 
-  saveOp({
-    peaks, shift, scan, thres, analysis, keepPred, integration, multiplicity, waveLength, cyclicvoltaSt, curveSt, simulatenmr = false, layout, axesUnitsSt, detectorSt, dscMetaData,
-  }) {
-    const { handleSubmit } = this.props;
-    const { curveIdx } = curveSt;
-    const si = this.getSpcInfo(curveIdx);
-    if (!si) return;
-    const fPeaks = FN.rmRef(peaks, shift);
-    const peaksStr = FN.toPeakStr(fPeaks);
-    const predict = JSON.stringify(rmRefreshed(analysis));
-    const waveLengthStr = JSON.stringify(waveLength);
-    const cyclicvolta = JSON.stringify(cyclicvoltaSt);
-    const axesUnitsStr = JSON.stringify(axesUnitsSt);
-    const detector = JSON.stringify(detectorSt);
+  getSavePayloads(params, overrideValues = {}) {
+    const spectraList = Array.isArray(params?.spectra_list) ? params.spectra_list : [];
+    return spectraList.map((payload) => ({
+      ...payload,
+      ...overrideValues,
+      simulatenmr: overrideValues.simulatenmr ?? payload?.simulatenmr ?? false,
+    }));
+  }
 
-    const { shifts } = shift;
-    const selectedShift = shifts[curveIdx];
-    const { integrations } = integration;
-    const selectedIntegration = integrations[curveIdx];
-    const { multiplicities } = multiplicity;
-    const selectedMutiplicity = multiplicities[curveIdx];
+  buildSerializedPayload(payload, curveIdx) {
+    const hasShiftArray = Array.isArray(payload?.shift?.shifts);
+    const fPeaks = payload?.peaks && hasShiftArray ? FN.rmRef(payload.peaks, payload.shift, curveIdx) : payload?.peaks;
+    const selectedShift = payload.shift?.shifts ? payload.shift.shifts[curveIdx] : payload.shift;
+    const selectedIntegration = payload.integration?.integrations ? payload.integration.integrations[curveIdx] : payload.integration;
+    const selectedMultiplicity = payload.multiplicity?.multiplicities ? payload.multiplicity.multiplicities[curveIdx] : payload.multiplicity;
+
+    return {
+      peaksStr: FN.toPeakStr(fPeaks),
+      predict: JSON.stringify(rmRefreshed(payload.analysis)),
+      waveLengthStr: JSON.stringify(payload.waveLength),
+      cyclicvolta: JSON.stringify(payload.cyclicvoltaSt),
+      axesUnitsStr: JSON.stringify(payload.axesUnitsSt),
+      detector: JSON.stringify(payload.detectorSt),
+      dscMetaDataStr: JSON.stringify(payload.dscMetaData),
+      selectedShift,
+      integrationStr: JSON.stringify(selectedIntegration),
+      multiplicityStr: JSON.stringify(selectedMultiplicity),
+    };
+  }
+
+  async saveTarget(target, shouldCombineAfterBatch) {
+    const { spcInfos, arrSpcIdx } = this.state;
+    const previousSpcInfos = spcInfos.filter((spc) => (spc.idDt === target.si.idDt && arrSpcIdx.includes(spc.idx)));
+    const serialized = this.buildSerializedPayload(target.payload, target.curveIdx);
+    const isSaveCombined = FN.isCyclicVoltaLayout(target.payload.layout) && !shouldCombineAfterBatch;
+
+    return new Promise((resolve) => {
+      SpectraActions.SaveToFile.defer(
+        target.si,
+        serialized.peaksStr,
+        serialized.selectedShift,
+        target.payload.scan,
+        target.payload.thres,
+        serialized.integrationStr,
+        serialized.multiplicityStr,
+        serialized.predict,
+        null,
+        target.payload.keepPred,
+        serialized.waveLengthStr,
+        serialized.cyclicvolta,
+        target.curveIdx,
+        target.payload.simulatenmr,
+        previousSpcInfos,
+        isSaveCombined,
+        serialized.axesUnitsStr,
+        serialized.detector,
+        serialized.dscMetaDataStr,
+        (fetchedFiles, _spcInfo, errorMessage) => {
+          const newIds = (fetchedFiles?.files || []).map((file) => file.id).filter(Boolean);
+          resolve({ oldId: target.si.idx, newIds, errorMessage });
+        },
+      );
+    });
+  }
+
+  async combineBatchIfNeeded(saveResults, targets, combineCurveIdx) {
+    if (targets.length <= 1) return;
+    const layout = targets[0]?.payload?.layout;
+    if (!layoutsWillShowMulti.includes(layout)) return;
 
-    const isSaveCombined = FN.isCyclicVoltaLayout(layout);
     const { spcInfos, arrSpcIdx } = this.state;
-    const previousSpcInfos = spcInfos.filter((spc) => (spc.idDt === si.idDt && arrSpcIdx.includes(spc.idx)));
+    const combineTarget = targets.find((target) => target.curveIdx === combineCurveIdx) || targets[0];
+    const combineIdDt = combineTarget?.si?.idDt;
+    const isSameDataset = !!combineIdDt && targets.every((target) => target.si?.idDt === combineIdDt);
+    if (!isSameDataset) return;
+
+    const replacedIds = saveResults
+      .filter((result) => result.newIds.length > 0)
+      .map((result) => result.oldId);
+    const keptIds = spcInfos
+      .filter((spc) => (spc.idDt === combineIdDt && arrSpcIdx.includes(spc.idx)))
+      .map((spc) => spc.idx)
+      .filter((id) => !replacedIds.includes(id));
+    const newIds = saveResults.flatMap((result) => result.newIds);
+    if (newIds.length === 0) return;
+
+    const combineIds = [...new Set([...keptIds, ...newIds])];
+    if (combineIds.length === 0) return;
+
+    const combineSerialized = this.buildSerializedPayload(combineTarget.payload, combineCurveIdx);
+    const combineExtras = {
+      attachmentId: combineTarget?.si?.idx,
+      peaksStr: combineSerialized.peaksStr,
+      shiftSelectX: combineSerialized.selectedShift?.peak?.x,
+      shiftRefName: combineSerialized.selectedShift?.ref?.name,
+      shiftRefValue: combineSerialized.selectedShift?.ref?.value,
+      scan: combineTarget.payload.scan,
+      thres: combineTarget.payload.thres,
+      integration: combineSerialized.integrationStr,
+      multiplicity: combineSerialized.multiplicityStr,
+      predict: combineSerialized.predict,
+      keepPred: combineTarget.payload.keepPred,
+      waveLength: combineSerialized.waveLengthStr,
+      cyclicvolta: combineSerialized.cyclicvolta,
+      curveIdx: combineCurveIdx,
+      simulatenmr: combineTarget.payload.simulatenmr,
+      axesUnits: combineSerialized.axesUnitsStr,
+      detector: combineSerialized.detector,
+      dscMetaData: combineSerialized.dscMetaDataStr,
+    };
+
+    await new Promise((resolve) => {
+      SpectraActions.CombineSpectra.defer(
+        combineIds,
+        combineCurveIdx,
+        combineExtras,
+        () => resolve(),
+      );
+    });
+  }
+
+  saveOp(params) {
+    const { handleSubmit } = this.props;
+    if (!Array.isArray(params?.spectra_list) || params.spectra_list.length === 0) {
+      console.warn('saveOp expects a non-empty spectra_list payload.'); // eslint-disable-line no-console
+      return;
+    }
+    const payloads = this.getSavePayloads(params);
+    const targets = payloads.map((payload, idx) => {
+      const curveIdx = payload.curveSt?.curveIdx ?? payload.curveIdx ?? idx;
+      const si = this.getSpcInfo(curveIdx);
+      if (!si) return null;
+      return { payload, curveIdx, si };
+    }).filter(Boolean);
+    if (targets.length === 0) return;
+
+    const combineCurveIdx = params.curveSt?.curveIdx ?? targets[0].curveIdx;
+    const shouldCombineAfterBatch = targets.length > 1
+      && layoutsWillShowMulti.includes(targets[0].payload.layout);
+
     LoadingActions.start.defer();
-    SpectraActions.SaveToFile.defer(
-      si,
-      peaksStr,
-      selectedShift,
-      scan,
-      thres,
-      JSON.stringify(selectedIntegration),
-      JSON.stringify(selectedMutiplicity),
-      predict,
-      handleSubmit,
-      keepPred,
-      waveLengthStr,
-      cyclicvolta,
-      curveIdx,
-      simulatenmr,
-      previousSpcInfos,
-      isSaveCombined,
-      axesUnitsStr,
-      detector,
-      JSON.stringify(dscMetaData),
-    );
+    (async () => {
+      const saveResults = [];
+      for (const target of targets) {
+        const result = await this.saveTarget(target, shouldCombineAfterBatch);
+        saveResults.push(result);
+      }
+      await this.combineBatchIfNeeded(saveResults, targets, combineCurveIdx);
+      handleSubmit();
+    })().catch((errorMessage) => {
+      console.log(errorMessage); // eslint-disable-line
+      handleSubmit();
+    });
   }
 
-  refreshOp({
-    peaks, shift, scan, thres, analysis, keepPred, integration, multiplicity, waveLength, cyclicvoltaSt, curveSt, layout, axesUnitsSt, detectorSt
-  }) {
+  refreshOp(params) {
+    const refreshPayloads = this.getSavePayloads(params, { simulatenmr: true });
     this.saveOp({
-      peaks, shift, scan, thres, analysis, integration, multiplicity, waveLength, cyclicvoltaSt, curveSt, simulatenmr: true, layout, axesUnitsSt, detectorSt
+      ...params,
+      spectra_list: refreshPayloads,
     });
   }
 
@@ -536,12 +638,8 @@ class ViewSpectra extends React.Component {
     this.closeOp();
   }
 
-  saveCloseOp({
-    peaks, shift, scan, thres, analysis, integration, multiplicity, waveLength, cyclicvoltaSt, curveSt, layout, axesUnitsSt, detectorSt, dscMetaData,
-  }) {
-    this.saveOp({
-      peaks, shift, scan, thres, analysis, integration, multiplicity, waveLength, cyclicvoltaSt, curveSt, layout, axesUnitsSt, detectorSt, dscMetaData,
-    });
+  saveCloseOp(params) {
+    this.saveOp(params);
     this.closeOp();
   }
 
diff --git a/app/javascript/src/stores/alt/actions/SpectraActions.js b/app/javascript/src/stores/alt/actions/SpectraActions.js
@@ -35,14 +35,35 @@ class SpectraActions {
     };
   }
 
-  SaveToFile(spcInfo, peaksStr, shift, scan, thres, integration, multiplicity, predict, cb, keepPred = false, waveLengthStr, cyclicvolta, curveIdx = 0, simulatenmr = false, previousSpcInfos, isSaveCombined = false, axesUnitsStr, detector, dscMetaData) {
+  SaveToFile(spcInfo, peaksStr, shift, scan, thres, integration, multiplicity, predict, cb, keepPred = false, waveLengthStr, cyclicvolta, curveIdx = 0, simulatenmr = false, previousSpcInfos, isSaveCombined = false, axesUnitsStr, detector, dscMetaData, onSaved) {
     return (dispatch) => {
       AttachmentFetcher.saveSpectrum(spcInfo.idx, peaksStr, shift, scan, thres, integration, multiplicity, predict, keepPred, waveLengthStr, cyclicvolta, curveIdx, simulatenmr, previousSpcInfos, isSaveCombined, axesUnitsStr, detector, dscMetaData)
         .then((fetchedFiles) => {
           dispatch({ fetchedFiles, spcInfo });
-          cb();
+          if (onSaved) {
+            onSaved(fetchedFiles, spcInfo);
+          }
+          if (cb) {
+            cb();
+          }
         }).catch((errorMessage) => {
           console.log(errorMessage); // eslint-disable-line
+          if (onSaved) {
+            onSaved(null, spcInfo, errorMessage);
+          }
+        });
+    };
+  }
+
+  CombineSpectra(jcampIds, curveIdx, extraParams, cb) {
+    return () => {
+      AttachmentFetcher.combineSpectra(jcampIds, curveIdx, extraParams)
+        .then((combined) => {
+          if (cb) cb(combined);
+        })
+        .catch((errorMessage) => {
+          console.log(errorMessage); // eslint-disable-line
+          if (cb) cb(null, errorMessage);
         });
     };
   }
diff --git a/package.json b/package.json
@@ -14,7 +14,7 @@
     "@citation-js/plugin-isbn": "0.3.0",
     "@complat/chem-spectra-client": "1.3.5",
     "@complat/chemotion-converter-client": "~0.15.0",
-    "@complat/react-spectra-editor": "1.6.0",
+    "@complat/react-spectra-editor": "1.7.0",
     "@novnc/novnc": "~1.5.0",
     "@sentry/react": "^7.73.0",
     "@sentry/tracing": "^7.16.0",
diff --git a/yarn.lock b/yarn.lock
@@ -1560,10 +1560,10 @@
     reselect "^4.0.0"
     typescript "^5.0.4"
 
-"@complat/react-spectra-editor@1.6.0":
-  version "1.6.0"
-  resolved "https://registry.yarnpkg.com/@complat/react-spectra-editor/-/react-spectra-editor-1.6.0.tgz#aa4801ca6b0cb032b650817e39455873e29a9e20"
-  integrity sha512-tmn1AfQEL/sloCjD/TW+uNq0WvnIdEfgKIhVmdG7XMx6kuLQbWgQD7idt8iQ7+EU9x9dBdFPqKf+JfjEWZrcaw==
+"@complat/react-spectra-editor@1.7.0":
+  version "1.7.0"
+  resolved "https://registry.yarnpkg.com/@complat/react-spectra-editor/-/react-spectra-editor-1.7.0.tgz#9e1dde68ed61794f31f72d5b7fe57227a5612521"
+  integrity sha512-Tk9apRDvPuAAj1/IPJKmnpyidqPrQZmLl3/YSdSZF0/LcSmtL6VQm7NIPaRqDj9/sL9XjRAZW8IyJb6A4v7pxQ==
   dependencies:
     "@complat/react-svg-file-zoom-pan" "1.1.4"
     "@emotion/react" "^11.11.1"
