@complat/react-spectra-editor 1.5.4 → 1.7.0

package/dist/index.js

@@ -51,6 +51,24 @@ require("./__tests__/style/svg.css");
 var _jsxRuntime = require("react/jsx-runtime");
 /* eslint-disable prefer-object-spread, default-param-last, no-nested-ternary */
 
+const pickSelectedSpectrumFromPayload = payload => {
+  const spectraList = payload?.spectra_list;
+  if (!Array.isArray(spectraList)) return payload || {};
+  if (spectraList.length === 0) return {};
+  const selectedIdx = Number.isFinite(payload?.curveSt?.curveIdx) ? payload.curveSt.curveIdx : 0;
+  return spectraList[selectedIdx] || spectraList[0] || {};
+};
+const normalizeShiftForFormatting = shift => {
+  if (shift && Array.isArray(shift.shifts)) return shift;
+  return {
+    selectedIdx: 0,
+    shifts: [shift || {
+      ref: {},
+      peak: false,
+      enable: true
+    }]
+  };
+};
 const nmr1HEntity = _app.FN.ExtractJcamp(_nmr1h_jcamp.default);
 const nmr1HEntity2 = _app.FN.ExtractJcamp(_nmr1h_2_jcamp.default);
 const nmr13CEntity = _app.FN.ExtractJcamp(_nmr13c_jcamp.default);
@@ -280,6 +298,7 @@ class DemoWriteIr extends _react.default.Component {
     curveSt
   }) {
     const entity = this.loadEntity();
+    const safeLayout = layout || entity?.layout;
     const {
       features
     } = entity;
@@ -294,11 +313,12 @@ class DemoWriteIr extends _react.default.Component {
       maxY,
       minY
     };
+    const shiftForFormatting = normalizeShiftForFormatting(shift);
     const body = _app.FN.peaksBody({
       peaks,
-      layout,
+      layout: safeLayout,
       decimal,
-      shift,
+      shift: shiftForFormatting,
       isAscend,
       isIntensity,
       boundary,
@@ -306,9 +326,9 @@ class DemoWriteIr extends _react.default.Component {
       waveLength,
       temperature
     });
-    const wrapper = _app.FN.peaksWrapper(layout, shift);
+    const wrapper = _app.FN.peaksWrapper(safeLayout, shiftForFormatting);
     let desc = this.rmDollarSign(wrapper.head) + body + wrapper.tail;
-    if (_app.FN.isCyclicVoltaLayout(layout)) {
+    if (_app.FN.isCyclicVoltaLayout(safeLayout) && cyclicvoltaSt?.spectraList && curveSt?.listCurves) {
       const {
         spectraList
       } = cyclicvoltaSt;
@@ -318,6 +338,7 @@ class DemoWriteIr extends _react.default.Component {
       } = curveSt;
       const selectedVolta = spectraList[curveIdx];
       const selectedCurve = listCurves[curveIdx];
+      if (!selectedVolta || !selectedCurve?.feature) return desc;
       const {
         feature
       } = selectedCurve;
@@ -380,10 +401,12 @@ class DemoWriteIr extends _react.default.Component {
       };
       const area = it.area * refFactor / refArea; // eslint-disable-line
       const center = _app.FN.calcMpyCenter(peaks, shiftVal, mpyType);
+      const safeCenter = Number.isFinite(center) ? center : 0;
       const xs = m.peaks.map(p => p.x).sort((a, b) => a - b);
       const [aIdx, bIdx] = isAscend ? [0, xs.length - 1] : [xs.length - 1, 0];
-      const mxA = mpyType === 'm' ? (xs[aIdx] - shiftVal).toFixed(decimal) : 0;
-      const mxB = mpyType === 'm' ? (xs[bIdx] - shiftVal).toFixed(decimal) : 0;
+      const hasValidRange = xs.length > 0 && Number.isFinite(shiftVal);
+      const mxA = mpyType === 'm' && hasValidRange ? (xs[aIdx] - shiftVal).toFixed(decimal) : safeCenter.toFixed(decimal);
+      const mxB = mpyType === 'm' && hasValidRange ? (xs[bIdx] - shiftVal).toFixed(decimal) : safeCenter.toFixed(decimal);
       return Object.assign({}, m, {
         area,
         center,
@@ -400,22 +423,25 @@ class DemoWriteIr extends _react.default.Component {
       const location = type === 'm' ? `${m.mxA}–${m.mxB}` : `${c.toFixed(decimal)}`;
       return m.js.length === 0 ? `${location} (${type}${atomCount})` : `${location} (${type}, ${js}${atomCount})`;
     }).join(', ');
+    const shiftRef = shift?.ref || {};
     const {
       label,
       value,
       name
-    } = shift.ref;
-    const solvent = label ? `${name.split('(')[0].trim()} [${value.toFixed(decimal)} ppm], ` : '';
+    } = shiftRef;
+    const hasValidShiftRef = !!label && Number.isFinite(value) && typeof name === 'string';
+    const solvent = hasValidShiftRef ? `${name.split('(')[0].trim()} [${value.toFixed(decimal)} ppm], ` : '';
     return `${layout} NMR (${freqStr}${solvent}ppm) δ = ${str}.`;
   }
-  writeMpy({
-    layout,
-    shift,
-    isAscend,
-    decimal,
-    multiplicity,
-    integration
-  }) {
+  writeMpy(payload) {
+    const {
+      layout,
+      shift,
+      isAscend,
+      decimal,
+      multiplicity,
+      integration
+    } = pickSelectedSpectrumFromPayload(payload);
     if (!_app.FN.isNmrLayout(layout)) return;
     const desc = this.formatMpy({
       multiplicity,
@@ -429,18 +455,19 @@ class DemoWriteIr extends _react.default.Component {
       desc
     });
   }
-  writePeak({
-    peaks,
-    layout,
-    shift,
-    isAscend,
-    decimal,
-    isIntensity,
-    integration,
-    waveLength,
-    cyclicvoltaSt,
-    curveSt
-  }) {
+  writePeak(payload) {
+    const {
+      peaks,
+      layout,
+      shift,
+      isAscend,
+      decimal,
+      isIntensity,
+      integration,
+      waveLength,
+      cyclicvoltaSt,
+      curveSt
+    } = pickSelectedSpectrumFromPayload(payload);
     const desc = this.formatPks({
       peaks,
       layout,
@@ -458,19 +485,21 @@ class DemoWriteIr extends _react.default.Component {
       desc
     });
   }
-  savePeaks({
-    peaks,
-    layout,
-    shift,
-    isAscend,
-    decimal,
-    analysis,
-    isIntensity,
-    integration,
-    multiplicity,
-    waveLength
-  }) {
+  savePeaks(payload) {
+    const {
+      peaks,
+      layout,
+      shift,
+      isAscend,
+      decimal,
+      analysis,
+      isIntensity,
+      integration,
+      multiplicity,
+      waveLength
+    } = pickSelectedSpectrumFromPayload(payload);
     const entity = this.loadEntity();
+    const safeLayout = layout || entity?.layout;
     const {
       features
     } = entity;
@@ -485,11 +514,12 @@ class DemoWriteIr extends _react.default.Component {
       maxY,
       minY
     };
+    const shiftForFormatting = normalizeShiftForFormatting(shift);
     const body = _app.FN.peaksBody({
       peaks,
-      layout,
+      layout: safeLayout,
       decimal,
-      shift,
+      shift: shiftForFormatting,
       isAscend,
       isIntensity,
       boundary,

package/dist/reducers/reducer_voltammetry.js

@@ -9,7 +9,10 @@ var _chem = require("../helpers/chem");
 /* eslint-disable prefer-object-spread, default-param-last */
 
 const initialState = {
-  spectraList: []
+  spectraList: [],
+  areaValue: 1.0,
+  areaUnit: 'cm²',
+  useCurrentDensity: false
 };
 const initSpectra = {
   list: [],
@@ -563,6 +566,36 @@ const cyclicVoltaReducer = (state = initialState, action) => {
       return Object.assign({}, state, {
         spectraList: []
       });
+    case _action_type.CYCLIC_VOLTA_METRY.SET_AREA_VALUE:
+      {
+        const {
+          value
+        } = action.payload;
+        if (value === '') {
+          return Object.assign({}, state, {
+            areaValue: ''
+          });
+        }
+        const areaValue = Number.isFinite(value) ? value : state.areaValue;
+        return Object.assign({}, state, {
+          areaValue
+        });
+      }
+    case _action_type.CYCLIC_VOLTA_METRY.SET_AREA_UNIT:
+      {
+        const {
+          unit
+        } = action.payload;
+        return Object.assign({}, state, {
+          areaUnit: unit
+        });
+      }
+    case _action_type.CYCLIC_VOLTA_METRY.TOGGLE_DENSITY:
+      {
+        return Object.assign({}, state, {
+          useCurrentDensity: !state.useCurrentDensity
+        });
+      }
     default:
       return state;
   }

package/dist/sagas/saga_multi_entities.js

@@ -38,6 +38,66 @@ function* setCyclicVoltametry(action) {
     if (layout !== _list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY) {
       return;
     }
+    const cvSt = yield (0, _effects.select)(state => state.cyclicvolta);
+    const {
+      feature
+    } = firstCurve;
+    if (feature) {
+      const {
+        weAreaValue,
+        weAreaUnit,
+        currentMode
+      } = feature;
+      if (typeof weAreaUnit === 'string' && weAreaUnit.length > 0) {
+        const unit = weAreaUnit.replace('^2', '²');
+        yield (0, _effects.put)({
+          type: _action_type.CYCLIC_VOLTA_METRY.SET_AREA_UNIT,
+          payload: {
+            unit
+          }
+        });
+      } else {
+        yield (0, _effects.put)({
+          type: _action_type.CYCLIC_VOLTA_METRY.SET_AREA_UNIT,
+          payload: {
+            unit: 'cm²'
+          }
+        });
+      }
+      if (weAreaValue !== undefined && weAreaValue !== null) {
+        let numeric = null;
+        if (typeof weAreaValue === 'string') {
+          const parsed = parseFloat(weAreaValue);
+          if (!Number.isNaN(parsed)) numeric = parsed;
+        } else if (Number.isFinite(weAreaValue)) {
+          numeric = weAreaValue;
+        }
+        if (Number.isFinite(numeric)) {
+          yield (0, _effects.put)({
+            type: _action_type.CYCLIC_VOLTA_METRY.SET_AREA_VALUE,
+            payload: {
+              value: numeric
+            }
+          });
+        } else {
+          yield (0, _effects.put)({
+            type: _action_type.CYCLIC_VOLTA_METRY.SET_AREA_VALUE,
+            payload: {
+              value: 1.0
+            }
+          });
+        }
+      }
+      if (typeof currentMode === 'string' && currentMode.length > 0) {
+        const wantDensity = currentMode.toUpperCase() === 'DENSITY';
+        if (!!cvSt.useCurrentDensity !== wantDensity) {
+          yield (0, _effects.put)({
+            type: _action_type.CYCLIC_VOLTA_METRY.TOGGLE_DENSITY,
+            payload: null
+          });
+        }
+      }
+    }
     for (let index = 0; index < listCurves.length; index++) {
       const curve = listCurves[index];
       const maxminPeak = getMaxMinPeak(curve);

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "@complat/react-spectra-editor",
-  "version": "1.5.4",
+  "version": "1.7.0",
   "description": "An editor to View and Edit Chemical Spectra data (NMR, IR, MS, CV, UIVIS, XRD, GC, and DSC).",
   "repository": {
     "type": "git",