@complat/react-spectra-editor 1.6.0 → 1.7.0

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Files changed (9) hide show
  1. package/dist/__tests__/units/components/cmd_bar/r05_submit_btn.test.js +217 -0
  2. package/dist/components/cmd_bar/r01_layout.js +31 -2
  3. package/dist/components/cmd_bar/r05_submit_btn.js +29 -51
  4. package/dist/components/panel/cyclic_voltamery_data.js +14 -5
  5. package/dist/components/panel/info.js +42 -13
  6. package/dist/constants/list_shift.js +62 -62
  7. package/dist/helpers/format.js +6 -0
  8. package/dist/index.js +72 -42
  9. package/package.json +1 -1
package/dist/__tests__/units/components/cmd_bar/r05_submit_btn.test.js ADDED
@@ -0,0 +1,217 @@
1
+ "use strict";
2
+
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+ var _interopRequireDefault = require("@babel/runtime/helpers/interopRequireDefault");
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+ var _reduxMockStore = _interopRequireDefault(require("redux-mock-store"));
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+ var _reactRedux = require("react-redux");
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+ var _react = require("@testing-library/react");
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+ require("@testing-library/jest-dom");
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+ var _r05_submit_btn = _interopRequireDefault(require("../../../../components/cmd_bar/r05_submit_btn"));
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+ var _jsxRuntime = require("react/jsx-runtime");
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+ jest.mock('../../../../helpers/extractPeaksEdit', () => ({
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+ extractPeaksEdit: jest.fn(() => [{
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+ x: 1,
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+ y: 2
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+ }])
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+ }));
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+ const mockStore = (0, _reduxMockStore.default)([]);
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+ const buildBaseState = (overrides = {}) => ({
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+ editPeak: {
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+ present: {
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+ selectedIdx: 0,
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+ peaks: [{
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+ pos: [],
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+ neg: []
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+ }]
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+ }
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+ },
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+ threshold: {
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+ list: [{
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+ isEdit: true,
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+ value: 10,
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+ upper: false,
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+ lower: false
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+ }]
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+ },
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+ layout: '1H',
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+ shift: {
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+ shifts: []
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+ },
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+ scan: {
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+ target: 5,
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+ isAuto: false
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+ },
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+ forecast: {
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+ predictions: {}
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+ },
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+ submit: {
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+ decimal: 2
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+ },
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+ integration: {
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+ present: {
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+ integrations: [{
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+ stack: [],
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+ refArea: 1,
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+ refFactor: 1
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+ }]
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+ }
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+ },
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+ multiplicity: {
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+ present: {
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+ multiplicities: [{
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+ stack: [],
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+ shift: 0
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+ }]
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+ }
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+ },
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+ wavelength: {},
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+ cyclicvolta: {
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+ useCurrentDensity: false,
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+ areaUnit: 'cm²',
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+ areaValue: 1.0
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+ },
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+ curve: {
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+ curveIdx: 0,
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+ listCurves: []
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+ },
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+ axesUnits: {
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+ axes: [{
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+ xUnit: '',
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+ yUnit: ''
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+ }]
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+ },
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+ detector: {},
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+ meta: {
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+ dscMetaData: {}
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+ },
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+ ...overrides
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+ });
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+ const renderBtnSubmit = (state, operationValue) => {
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+ const store = mockStore(state);
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+ const feature = {
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+ xUnit: 'ppm',
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+ yUnit: 'intensity',
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+ scanAutoTarget: 1,
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+ thresRef: 3
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+ };
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+ const view = (0, _react.render)(/*#__PURE__*/(0, _jsxRuntime.jsx)(_reactRedux.Provider, {
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+ store: store,
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+ children: /*#__PURE__*/(0, _jsxRuntime.jsx)(_r05_submit_btn.default, {
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+ operation: {
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+ name: 'save',
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+ value: operationValue
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+ },
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+ feature: feature,
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+ isAscend: true,
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+ isIntensity: true
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+ })
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+ }));
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+ const button = view.container.querySelector('.btn-sv-bar-submit');
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+ _react.fireEvent.click(button);
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+ return view;
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+ };
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+ describe('<BtnSubmit payload contract />', () => {
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+ it('sends a spectra_list with length 1 in single-spectrum mode', () => {
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+ const operationValue = jest.fn();
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+ const state = buildBaseState({
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+ curve: {
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+ curveIdx: 0,
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+ listCurves: []
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+ }
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+ });
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+ renderBtnSubmit(state, operationValue);
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+ expect(operationValue).toHaveBeenCalledTimes(1);
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+ const payload = operationValue.mock.calls[0][0];
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+ expect(Array.isArray(payload.spectra_list)).toBe(true);
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+ expect(payload.spectra_list).toHaveLength(1);
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+ expect(payload).toHaveProperty('curveSt');
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+ expect(payload.curveSt).toEqual({
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+ curveIdx: 0
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+ });
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+ });
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+ it('sends a spectra_list with length N in multi-spectrum mode', () => {
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+ const operationValue = jest.fn();
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+ const state = buildBaseState({
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+ curve: {
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+ curveIdx: 1,
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+ listCurves: [{
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+ feature: {
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+ xUnit: 'ppm',
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+ yUnit: 'intensity',
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+ scanAutoTarget: 1,
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+ thresRef: 3
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+ }
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+ }, {
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+ feature: {
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+ xUnit: 'ppm',
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+ yUnit: 'intensity',
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+ scanAutoTarget: 2,
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+ thresRef: 4
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+ }
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+ }, {
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+ feature: {
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+ xUnit: 'ppm',
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+ yUnit: 'intensity',
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+ scanAutoTarget: 3,
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+ thresRef: 5
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+ }
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+ }]
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+ },
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+ threshold: {
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+ list: [{
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+ value: 10
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+ }, {
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+ value: 20
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+ }, {
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+ value: 30
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+ }]
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+ },
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+ axesUnits: {
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+ axes: [{
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+ xUnit: '',
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+ yUnit: ''
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+ }, {
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+ xUnit: '',
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+ yUnit: ''
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+ }, {
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+ xUnit: '',
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+ yUnit: ''
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+ }]
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+ }
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+ });
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+ renderBtnSubmit(state, operationValue);
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+ const payload = operationValue.mock.calls[0][0];
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+ expect(payload.spectra_list).toHaveLength(3);
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+ expect(payload.curveSt).toEqual({
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+ curveIdx: 1
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+ });
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+ });
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+ it('controls presence/absence of keepPred and simulatenmr', () => {
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+ const withFlagsCb = jest.fn();
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+ const noFlagsCb = jest.fn();
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+ const withFlagsState = buildBaseState({
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+ forecast: {
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+ predictions: {
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+ keepPred: true,
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+ simulatenmr: false
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+ }
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+ }
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+ });
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+ renderBtnSubmit(withFlagsState, withFlagsCb);
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+ const withFlagsPayload = withFlagsCb.mock.calls[0][0];
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+ expect(withFlagsPayload.spectra_list[0]).toMatchObject({
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+ keepPred: true,
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+ simulatenmr: false
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+ });
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+ const noFlagsState = buildBaseState({
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+ forecast: {
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+ predictions: {
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+ keepPred: 'yes'
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+ }
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+ }
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+ });
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+ renderBtnSubmit(noFlagsState, noFlagsCb);
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+ const noFlagsPayload = noFlagsCb.mock.calls[0][0];
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+ expect(noFlagsPayload.spectra_list[0]).not.toHaveProperty('keepPred');
215
+ expect(noFlagsPayload.spectra_list[0]).not.toHaveProperty('simulatenmr');
216
+ });
217
+ });
package/dist/components/cmd_bar/r01_layout.js CHANGED
@@ -33,6 +33,35 @@ const styles = () => Object.assign({
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  width: 100
34
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  }
35
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  }, _common.commonStyle);
36
+ const chemSubStyle = {
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+ fontSize: '0.85em',
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+ position: 'relative',
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+ top: '0.24em',
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+ lineHeight: 1
41
+ };
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+ const renderReadableSubscript = (txt = '') => {
43
+ if (typeof txt !== 'string') return txt;
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+ const regex = /([A-Za-z])(\d+)/g;
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+ if (!regex.test(txt)) return txt;
46
+ regex.lastIndex = 0;
47
+ const parts = [];
48
+ let cursor = 0;
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+ let match = regex.exec(txt);
50
+ while (match) {
51
+ const [raw, prefix, digits] = match;
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+ const at = match.index;
53
+ if (at > cursor) parts.push(txt.slice(cursor, at));
54
+ parts.push(prefix);
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+ parts.push(/*#__PURE__*/(0, _jsxRuntime.jsx)("span", {
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+ style: chemSubStyle,
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+ children: digits
58
+ }, `${at}-${digits}`));
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+ cursor = at + raw.length;
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+ match = regex.exec(txt);
61
+ }
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+ if (cursor < txt.length) parts.push(txt.slice(cursor));
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+ return parts;
64
+ };
36
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  const shiftSelect = (classes, layoutSt, setShiftRefAct, shiftSt, curveSt) => {
37
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  if (_cfg.default.hideSolvent(layoutSt)) {
38
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  return null;
@@ -73,9 +102,9 @@ const shiftSelect = (classes, layoutSt, setShiftRefAct, shiftSt, curveSt) => {
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  className: (0, _classnames.default)(classes.selectInput, 'input-sv-bar-shift'),
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  children: listShift.map(ref => /*#__PURE__*/(0, _jsxRuntime.jsx)(_material.MenuItem, {
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  value: ref.name,
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- children: /*#__PURE__*/(0, _jsxRuntime.jsx)("span", {
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+ children: /*#__PURE__*/(0, _jsxRuntime.jsxs)("span", {
77
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  className: (0, _classnames.default)(classes.txtOpt, 'option-sv-bar-shift'),
78
- children: `${ref.name}: ${_format.default.strNumberFixedDecimal(ref.value, 2)} ppm`
107
+ children: [renderReadableSubscript(ref.name), `: ${_format.default.strNumberFixedDecimal(ref.value, 2)} ppm`]
79
108
  })
80
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  }, ref.name))
81
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  })]
package/dist/components/cmd_bar/r05_submit_btn.js CHANGED
@@ -77,7 +77,14 @@ const defaultThreshold = {
77
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  lower: false
78
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  };
79
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  const pickFromList = (list, index, fallback = null) => Array.isArray(list) && list[index] !== undefined ? list[index] : fallback;
80
- const buildDstPayload = ({
80
+ const hasBoolean = value => typeof value === 'boolean';
81
+ const resolveOptionalBooleanFlags = analysis => {
82
+ const flags = {};
83
+ if (hasBoolean(analysis?.keepPred)) flags.keepPred = analysis.keepPred;
84
+ if (hasBoolean(analysis?.simulatenmr)) flags.simulatenmr = analysis.simulatenmr;
85
+ return flags;
86
+ };
87
+ const buildSpectrumPayload = ({
81
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  feature,
82
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  curveIdx,
83
90
  editPeakSt,
@@ -87,11 +94,8 @@ const buildDstPayload = ({
87
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  scanSt,
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  integrationSt,
89
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  multiplicitySt,
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- allIntegrationSt,
91
- aucValues,
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  waveLengthSt,
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  cyclicvoltaSt,
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- curveSt,
95
99
  axesUnitsSt,
96
100
  detectorSt,
97
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  dscMetaData,
@@ -107,6 +111,7 @@ const buildDstPayload = ({
107
111
  const peaksEdit = (0, _extractPeaksEdit.extractPeaksEdit)(feature, editPeakAtIndex, threshold, shiftSt, layoutSt, curveIdx);
108
112
  const scan = (0, _chem.Convert2Scan)(feature, scanSt);
109
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  const thres = (0, _chem.Convert2Thres)(feature, threshold);
114
+ const shift = pickFromList(shiftSt?.shifts, curveIdx, shiftSt);
110
115
  const integration = pickFromList(integrationSt?.integrations, curveIdx, integrationSt);
111
116
  const multiplicity = pickFromList(multiplicitySt?.multiplicities, curveIdx, multiplicitySt);
112
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  const {
@@ -127,13 +132,11 @@ const buildDstPayload = ({
127
132
  axisDisplay,
128
133
  cvDisplay
129
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  };
130
- const perCurveSt = Object.assign({}, curveSt, {
131
- curveIdx
132
- });
135
+ const optionalBooleanFlags = resolveOptionalBooleanFlags(analysis);
133
136
  return {
134
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  peaks: peaksEdit,
135
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  layout: layoutSt,
136
- shift: shiftSt,
139
+ shift,
137
140
  scan,
138
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  thres,
139
142
  isAscend,
@@ -142,48 +145,28 @@ const buildDstPayload = ({
142
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  decimal: decimalSt,
143
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  integration,
144
147
  multiplicity,
145
- allIntegration: allIntegrationSt,
146
- aucValues,
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148
  waveLength: waveLengthSt,
148
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  cyclicvoltaSt: cyclicvoltaPayload,
149
- curveSt: perCurveSt,
150
+ curveSt: {
151
+ curveIdx
152
+ },
150
153
  axesUnitsSt,
151
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  detectorSt,
152
- dscMetaData
155
+ dscMetaData,
156
+ ...optionalBooleanFlags
153
157
  };
154
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  };
155
- const onClickCb = (operation, peaksEdit, isAscend, isIntensity, scan, thres, layoutSt, shiftSt, analysis, decimalSt, integrationSt, multiplicitySt, allIntegrationSt, aucValues, waveLengthSt, cyclicvoltaSt, curveSt, axesUnitsSt, detectorSt, dscMetaData, curveList, editPeakSt, thresList, scanSt, feature) => () => {
156
- const payload = {
157
- peaks: peaksEdit,
158
- layout: layoutSt,
159
- shift: shiftSt,
160
- scan,
161
- thres,
162
- isAscend,
163
- isIntensity,
164
- analysis,
165
- decimal: decimalSt,
166
- integration: integrationSt,
167
- multiplicity: multiplicitySt,
168
- allIntegration: allIntegrationSt,
169
- aucValues,
170
- waveLength: waveLengthSt,
171
- cyclicvoltaSt,
172
- curveSt,
173
- axesUnitsSt,
174
- detectorSt,
175
- dscMetaData
176
- };
159
+ const onClickCb = (operationValue, isAscend, isIntensity, layoutSt, shiftSt, analysis, decimalSt, integrationSt, multiplicitySt, waveLengthSt, cyclicvoltaSt, curveSt, axesUnitsSt, detectorSt, dscMetaData, curveList, editPeakSt, thresList, scanSt, feature) => () => {
177
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  const defaultCurves = feature ? [{
178
161
  feature
179
162
  }] : [];
180
163
  const curves = Array.isArray(curveList) && curveList.length > 0 ? curveList : defaultCurves;
181
164
  const fallbackIdx = Number.isFinite(curveSt?.curveIdx) ? curveSt.curveIdx : 0;
182
165
  const indicesToSend = curves.length > 0 ? curves.map((_, index) => index) : [fallbackIdx];
183
- payload.dst_list = indicesToSend.map(curveIdx => {
166
+ const spectraList = indicesToSend.map(curveIdx => {
184
167
  const curve = curves[curveIdx] || {};
185
168
  const curveFeature = curve.feature || feature;
186
- return buildDstPayload({
169
+ return buildSpectrumPayload({
187
170
  feature: curveFeature,
188
171
  curveIdx,
189
172
  editPeakSt,
@@ -193,11 +176,8 @@ const onClickCb = (operation, peaksEdit, isAscend, isIntensity, scan, thres, lay
193
176
  scanSt,
194
177
  integrationSt,
195
178
  multiplicitySt,
196
- allIntegrationSt,
197
- aucValues,
198
179
  waveLengthSt,
199
180
  cyclicvoltaSt,
200
- curveSt,
201
181
  axesUnitsSt,
202
182
  detectorSt,
203
183
  dscMetaData,
@@ -207,7 +187,15 @@ const onClickCb = (operation, peaksEdit, isAscend, isIntensity, scan, thres, lay
207
187
  decimalSt
208
188
  });
209
189
  });
210
- operation(payload);
190
+ const payload = {
191
+ spectra_list: spectraList
192
+ };
193
+ if (Number.isFinite(curveSt?.curveIdx)) {
194
+ payload.curveSt = {
195
+ curveIdx: curveSt.curveIdx
196
+ };
197
+ }
198
+ operationValue(payload);
211
199
  };
212
200
  const BtnSubmit = ({
213
201
  classes,
@@ -216,7 +204,6 @@ const BtnSubmit = ({
216
204
  isAscend,
217
205
  isIntensity,
218
206
  editPeakSt,
219
- thresSt,
220
207
  thresList,
221
208
  layoutSt,
222
209
  shiftSt,
@@ -225,7 +212,6 @@ const BtnSubmit = ({
225
212
  decimalSt,
226
213
  integrationSt,
227
214
  multiplicitySt,
228
- allIntegrationSt,
229
215
  waveLengthSt,
230
216
  cyclicvoltaSt,
231
217
  curveSt,
@@ -234,11 +220,7 @@ const BtnSubmit = ({
234
220
  detectorSt,
235
221
  metaSt
236
222
  }) => {
237
- const peaksEdit = (0, _extractPeaksEdit.extractPeaksEdit)(feature, editPeakSt, thresSt, shiftSt, layoutSt);
238
223
  // const disBtn = peaksEdit.length === 0 || statusSt.btnSubmit || disabled;
239
- const scan = (0, _chem.Convert2Scan)(feature, scanSt);
240
- const thres = (0, _chem.Convert2Thres)(feature, thresSt);
241
- const aucValues = (0, _extractPeaksEdit.extractAreaUnderCurve)(allIntegrationSt, integrationSt, layoutSt);
242
224
  const {
243
225
  dscMetaData
244
226
  } = metaSt;
@@ -270,7 +252,7 @@ const BtnSubmit = ({
270
252
  children: /*#__PURE__*/(0, _jsxRuntime.jsx)(_common.MuButton, {
271
253
  className: (0, _classnames.default)('btn-sv-bar-submit'),
272
254
  color: "primary",
273
- onClick: onClickCb(operation.value, peaksEdit, isAscend, isIntensity, scan, thres, layoutSt, shiftSt, forecastSt.predictions, decimalSt, integrationSt, multiplicitySt, allIntegrationSt, aucValues, waveLengthSt, cyclicvoltaPayload, curveSt, axesUnitsSt, detectorSt, dscMetaData, curveList, editPeakSt, thresList, scanSt, feature),
255
+ onClick: onClickCb(operation.value, isAscend, isIntensity, layoutSt, shiftSt, forecastSt.predictions, decimalSt, integrationSt, multiplicitySt, waveLengthSt, cyclicvoltaPayload, curveSt, axesUnitsSt, detectorSt, dscMetaData, curveList, editPeakSt, thresList, scanSt, feature),
274
256
  children: /*#__PURE__*/(0, _jsxRuntime.jsx)(_PlayCircleOutline.default, {
275
257
  className: classes.icon
276
258
  })
@@ -281,7 +263,6 @@ const mapStateToProps = (state, props) => (
281
263
  // eslint-disable-line
282
264
  {
283
265
  editPeakSt: state.editPeak.present,
284
- thresSt: state.threshold.list[state.curve.curveIdx],
285
266
  thresList: state.threshold.list,
286
267
  layoutSt: state.layout,
287
268
  shiftSt: state.shift,
@@ -290,7 +271,6 @@ const mapStateToProps = (state, props) => (
290
271
  decimalSt: state.submit.decimal,
291
272
  integrationSt: state.integration.present,
292
273
  multiplicitySt: state.multiplicity.present,
293
- allIntegrationSt: state.integration.past.concat(state.integration.present),
294
274
  waveLengthSt: state.wavelength,
295
275
  cyclicvoltaSt: state.cyclicvolta,
296
276
  curveSt: state.curve,
@@ -307,7 +287,6 @@ BtnSubmit.propTypes = {
307
287
  isIntensity: _propTypes.default.bool.isRequired,
308
288
  operation: _propTypes.default.oneOfType([_propTypes.default.object, _propTypes.default.bool]).isRequired,
309
289
  editPeakSt: _propTypes.default.object.isRequired,
310
- thresSt: _propTypes.default.object.isRequired,
311
290
  thresList: _propTypes.default.array.isRequired,
312
291
  layoutSt: _propTypes.default.string.isRequired,
313
292
  shiftSt: _propTypes.default.object.isRequired,
@@ -316,7 +295,6 @@ BtnSubmit.propTypes = {
316
295
  decimalSt: _propTypes.default.number.isRequired,
317
296
  integrationSt: _propTypes.default.object.isRequired,
318
297
  multiplicitySt: _propTypes.default.object.isRequired,
319
- allIntegrationSt: _propTypes.default.object.isRequired,
320
298
  waveLengthSt: _propTypes.default.object.isRequired,
321
299
  cyclicvoltaSt: _propTypes.default.object.isRequired,
322
300
  curveSt: _propTypes.default.object,
package/dist/components/panel/cyclic_voltamery_data.js CHANGED
@@ -136,8 +136,12 @@ const styles = () => ({
136
136
  },
137
137
  rowEven: {
138
138
  backgroundColor: '#fafafa',
139
- textOverflow: 'clip',
140
- whiteSpace: 'normal'
139
+ textOverflow: 'ellipsis',
140
+ whiteSpace: 'nowrap'
141
+ },
142
+ cvModeWarning: {
143
+ color: 'red',
144
+ marginLeft: 12
141
145
  }
142
146
  });
143
147
  const CyclicVoltammetryPanel = ({
@@ -252,12 +256,17 @@ const CyclicVoltammetryPanel = ({
252
256
  }
253
257
  },
254
258
  "aria-expanded": isExpanded,
255
- children: [/*#__PURE__*/(0, _jsxRuntime.jsx)(_material.Typography, {
259
+ children: [/*#__PURE__*/(0, _jsxRuntime.jsxs)(_material.Typography, {
256
260
  className: "txt-panel-header",
257
- children: /*#__PURE__*/(0, _jsxRuntime.jsx)("span", {
261
+ children: [/*#__PURE__*/(0, _jsxRuntime.jsx)("span", {
258
262
  className: (0, _classnames.default)(classes.txtBadge, 'txt-sv-panel-title'),
259
263
  children: "Voltammetry data"
260
- })
264
+ }), ' - ', /*#__PURE__*/(0, _jsxRuntime.jsxs)("span", {
265
+ children: ["Mode: ", cyclicVotaSt.useCurrentDensity ? 'Current Density' : 'Current']
266
+ }), /*#__PURE__*/(0, _jsxRuntime.jsx)("span", {
267
+ className: classes.cvModeWarning,
268
+ children: "WE-ECSA must be set when switching to Current Density."
269
+ })]
261
270
  }), /*#__PURE__*/(0, _jsxRuntime.jsxs)("div", {
262
271
  className: classes.panelActions,
263
272
  children: [/*#__PURE__*/(0, _jsxRuntime.jsx)(_material.Tooltip, {
package/dist/components/panel/info.js CHANGED
@@ -117,6 +117,35 @@ const normalizeQuillValue = val => {
117
117
  if (val === '<p><br></p>' || val === '<p></p>') return '';
118
118
  return val;
119
119
  };
120
+ const chemSubStyle = {
121
+ fontSize: '0.85em',
122
+ position: 'relative',
123
+ top: '0.24em',
124
+ lineHeight: 1
125
+ };
126
+ const renderReadableSubscript = (txt = '') => {
127
+ if (typeof txt !== 'string') return txt;
128
+ const regex = /([A-Za-z])(\d+)/g;
129
+ if (!regex.test(txt)) return txt;
130
+ regex.lastIndex = 0;
131
+ const parts = [];
132
+ let cursor = 0;
133
+ let match = regex.exec(txt);
134
+ while (match) {
135
+ const [raw, prefix, digits] = match;
136
+ const at = match.index;
137
+ if (at > cursor) parts.push(txt.slice(cursor, at));
138
+ parts.push(prefix);
139
+ parts.push(/*#__PURE__*/(0, _jsxRuntime.jsx)("span", {
140
+ style: chemSubStyle,
141
+ children: digits
142
+ }, `${at}-${digits}`));
143
+ cursor = at + raw.length;
144
+ match = regex.exec(txt);
145
+ }
146
+ if (cursor < txt.length) parts.push(txt.slice(cursor));
147
+ return parts;
148
+ };
120
149
  const handleDescriptionChanged = (content, delta, source, editor, onDescriptionChanged) => {
121
150
  if (!onDescriptionChanged) return;
122
151
  onDescriptionChanged(normalizeQuillValue(content), delta, source, editor);
@@ -388,7 +417,7 @@ const InfoPanel = ({
388
417
  children: "Solv : "
389
418
  }), /*#__PURE__*/(0, _jsxRuntime.jsx)("span", {
390
419
  className: (0, _classnames.default)(classes.tTxt, 'txt-sv-panel-txt'),
391
- children: showSolvName
420
+ children: renderReadableSubscript(showSolvName)
392
421
  })]
393
422
  }) : null, _format.default.isMsLayout(layoutSt) && exactMass ? /*#__PURE__*/(0, _jsxRuntime.jsxs)("div", {
394
423
  className: (0, _classnames.default)(classes.rowRoot, classes.rowOdd),
@@ -422,18 +451,7 @@ const InfoPanel = ({
422
451
  layout: layoutSt,
423
452
  dscMetaData: dscMetaData,
424
453
  updateAction: updateDSCMetaDataAct
425
- }), !editorOnly && _format.default.isNmrLayout(layoutSt) ? /*#__PURE__*/(0, _jsxRuntime.jsxs)(_jsxRuntime.Fragment, {
426
- children: [/*#__PURE__*/(0, _jsxRuntime.jsx)("div", {
427
- className: classes.subSectionHeader,
428
- children: simTitle()
429
- }), /*#__PURE__*/(0, _jsxRuntime.jsx)("div", {
430
- className: (0, _classnames.default)(classes.rowRoot, classes.rowOddSim),
431
- children: /*#__PURE__*/(0, _jsxRuntime.jsx)("span", {
432
- className: (0, _classnames.default)(classes.tTxt, classes.tTxtSim, 'txt-sv-panel-txt'),
433
- children: simContent(simulationSt.nmrSimPeaks)
434
- })
435
- })]
436
- }) : null, !_format.default.isCyclicVoltaLayout(layoutSt) ? /*#__PURE__*/(0, _jsxRuntime.jsxs)(_jsxRuntime.Fragment, {
454
+ }), !_format.default.isCyclicVoltaLayout(layoutSt) ? /*#__PURE__*/(0, _jsxRuntime.jsxs)(_jsxRuntime.Fragment, {
437
455
  children: [/*#__PURE__*/(0, _jsxRuntime.jsx)("div", {
438
456
  className: classes.subSectionHeader,
439
457
  children: "Content"
@@ -450,6 +468,17 @@ const InfoPanel = ({
450
468
  onChange: (content, delta, source, editor) => handleDescriptionChanged(content, delta, source, editor, onDescriptionChanged)
451
469
  })
452
470
  })]
471
+ }) : null, !editorOnly && _format.default.isNmrLayout(layoutSt) ? /*#__PURE__*/(0, _jsxRuntime.jsxs)(_jsxRuntime.Fragment, {
472
+ children: [/*#__PURE__*/(0, _jsxRuntime.jsx)("div", {
473
+ className: classes.subSectionHeader,
474
+ children: simTitle()
475
+ }), /*#__PURE__*/(0, _jsxRuntime.jsx)("div", {
476
+ className: (0, _classnames.default)(classes.rowRoot, classes.rowOddSim),
477
+ children: /*#__PURE__*/(0, _jsxRuntime.jsx)("span", {
478
+ className: (0, _classnames.default)(classes.tTxt, classes.tTxtSim, 'txt-sv-panel-txt'),
479
+ children: simContent(simulationSt.nmrSimPeaks)
480
+ })
481
+ })]
453
482
  }) : null]
454
483
  })]
455
484
  });
package/dist/constants/list_shift.js CHANGED
@@ -13,35 +13,35 @@ const noReference = {
13
13
  label: false
14
14
  };
15
15
  const cActicAcidD4Sept = {
16
- name: 'Acetic acid-d₄ (sept)',
16
+ name: 'Acetic acid-d4 (sept)',
17
17
  value: 20.0,
18
18
  label: 'Acetic acid-d4'
19
19
  };
20
20
  const cActicAcidD4S = {
21
- name: 'Acetic acid-d₄ (s)',
21
+ name: 'Acetic acid-d4 (s)',
22
22
  value: 178.990,
23
23
  label: 'Acetic acid-d4'
24
24
  };
25
25
  const cAcetoneD6Sep = {
26
- name: 'Acetone-d₆ (sep)',
26
+ name: 'Acetone-d6 (sep)',
27
27
  value: 29.640,
28
28
  label: 'Acetone-d6',
29
29
  nsdb: 'Acetone-D6 ((CD3)2CO)'
30
30
  };
31
31
  const cAcetoneD6Broad = {
32
- name: 'Acetone-d₆ (broad)',
32
+ name: 'Acetone-d6 (broad)',
33
33
  value: 206.260,
34
34
  label: 'Acetone-d6',
35
35
  nsdb: 'Acetone-D6 ((CD3)2CO)'
36
36
  };
37
37
  const cAcetonitrileD3Sep = {
38
- name: 'Acetonitrile-d₃ (sep)',
38
+ name: 'Acetonitrile-d3 (sep)',
39
39
  value: 1.32,
40
40
  label: 'Acetonitrile-d3',
41
41
  nsdb: 'Acetonitrile-D3(CD3CN)'
42
42
  };
43
43
  const cAcetonitrileD3S = {
44
- name: 'Acetonitrile-d₃ (s)',
44
+ name: 'Acetonitrile-d3 (s)',
45
45
  value: 118.26,
46
46
  label: 'Acetonitrile-d3',
47
47
  nsdb: 'Acetonitrile-D3(CD3CN)'
@@ -59,83 +59,83 @@ const cChloroformDT = {
59
59
  nsdb: 'Chloroform-D1 (CDCl3)'
60
60
  };
61
61
  const cCyclohexaneD12Quin = {
62
- name: 'Cyclohexane-d₁₂ (quin)',
62
+ name: 'Cyclohexane-d12 (quin)',
63
63
  value: 26.430,
64
64
  label: 'C$6D$1$2'
65
65
  };
66
66
  const cDichloromethaneD2Quin = {
67
- name: 'Dichloromethane-d₂ (quin)',
67
+ name: 'Dichloromethane-d2 (quin)',
68
68
  value: 53.84,
69
69
  label: 'CD$2Cl$2'
70
70
  };
71
71
  const cDmfD7Sep1 = {
72
- name: 'DMF-d₇ (sep)-1',
72
+ name: 'DMF-d7 (sep)-1',
73
73
  value: 29.76,
74
74
  label: 'DMF-d7'
75
75
  };
76
76
  const cDmfD7Sep2 = {
77
- name: 'DMF-d₇ (sep)-2',
77
+ name: 'DMF-d7 (sep)-2',
78
78
  value: 34.89,
79
79
  label: 'DMF-d7'
80
80
  };
81
81
  const cDmfD7T3 = {
82
- name: 'DMF-d₇ (t)-3',
82
+ name: 'DMF-d7 (t)-3',
83
83
  value: 163.15,
84
84
  label: 'DMF-d7'
85
85
  };
86
86
  const cDioxaneD8Quin = {
87
- name: 'Dioxane-d₈ (quin)',
87
+ name: 'Dioxane-d8 (quin)',
88
88
  value: 66.660,
89
89
  label: 'Dioxane-d8'
90
90
  };
91
91
  const cDmsoD6 = {
92
- name: 'DMSO-d₆',
92
+ name: 'DMSO-d6',
93
93
  value: 39.52,
94
94
  label: 'DMSO-d6',
95
95
  nsdb: 'Dimethylsulphoxide-D6 (DMSO-D6, C2D6SO)'
96
96
  };
97
97
  const cEthanolD6Sep = {
98
- name: 'Ethanol-d₆ (sep)',
98
+ name: 'Ethanol-d6 (sep)',
99
99
  value: 17.3,
100
100
  label: 'Ethanol-d6'
101
101
  };
102
102
  const cEthanolD6Quin = {
103
- name: 'Ethanol-d₆ (quin)',
103
+ name: 'Ethanol-d6 (quin)',
104
104
  value: 56.96,
105
105
  label: 'Ethanol-d6'
106
106
  };
107
107
  const cMethanolD4Sep = {
108
- name: 'Methanol-d₄ (sep)',
108
+ name: 'Methanol-d4 (sep)',
109
109
  value: 49.00,
110
110
  label: 'Methanol-d4',
111
111
  nsdb: 'Methanol-D4 (CD3OD)'
112
112
  };
113
113
  const cPyridineD5T1 = {
114
- name: 'Pyridine-d₅ (t)-1',
114
+ name: 'Pyridine-d5 (t)-1',
115
115
  value: 123.87,
116
116
  label: 'Pyridine-d5',
117
117
  nsdb: 'Pyridin-D5 (C5D5N)'
118
118
  };
119
119
  const cPyridineD5T2 = {
120
- name: 'Pyridine-d₅ (t)-2',
120
+ name: 'Pyridine-d5 (t)-2',
121
121
  value: 135.91,
122
122
  label: 'Pyridine-d5',
123
123
  nsdb: 'Pyridin-D5 (C5D5N)'
124
124
  };
125
125
  const cPyridineD5T3 = {
126
- name: 'Pyridine-d₅ (t)-3',
126
+ name: 'Pyridine-d5 (t)-3',
127
127
  value: 150.35,
128
128
  label: 'Pyridine-d5',
129
129
  nsdb: 'Pyridin-D5 (C5D5N)'
130
130
  };
131
131
  const cThfD8Quin1 = {
132
- name: 'THF-d₈ (quin)-1',
132
+ name: 'THF-d8 (quin)-1',
133
133
  value: 25.37,
134
134
  label: 'THF-d8 ',
135
135
  nsdb: 'Tetrahydrofuran-D8 (THF-D8, C4D4O)'
136
136
  };
137
137
  const cThfD8Quin2 = {
138
- name: 'THF-d₈ (quin)-2',
138
+ name: 'THF-d8 (quin)-2',
139
139
  value: 67.57,
140
140
  label: 'THF-d8 ',
141
141
  nsdb: 'Tetrahydrofuran-D8 (THF-D8, C4D4O)'
@@ -146,27 +146,27 @@ const cTmsS = {
146
146
  label: 'TMS'
147
147
  };
148
148
  const cTolueneD8Sep1 = {
149
- name: 'Toluene-d₈ (sep)-1',
149
+ name: 'Toluene-d8 (sep)-1',
150
150
  value: 20.4,
151
151
  label: 'Toluene-d8'
152
152
  };
153
153
  const cTolueneD8T2 = {
154
- name: 'Toluene-d₈ (t)-2',
154
+ name: 'Toluene-d8 (t)-2',
155
155
  value: 125.49,
156
156
  label: 'Toluene-d8'
157
157
  };
158
158
  const cTolueneD8T3 = {
159
- name: 'Toluene-d₈ (t)-3',
159
+ name: 'Toluene-d8 (t)-3',
160
160
  value: 128.33,
161
161
  label: 'Toluene-d8'
162
162
  };
163
163
  const cTolueneD8T4 = {
164
- name: 'Toluene-d₈ (t)-4',
164
+ name: 'Toluene-d8 (t)-4',
165
165
  value: 129.24,
166
166
  label: 'Toluene-d8'
167
167
  };
168
168
  const cTolueneD8T5 = {
169
- name: 'Toluene-d₈ (s)-5',
169
+ name: 'Toluene-d8 (s)-5',
170
170
  value: 137.86,
171
171
  label: 'Toluene-d8'
172
172
  };
@@ -181,54 +181,54 @@ const cTfaDQ2 = {
181
181
  label: 'TFA-d'
182
182
  };
183
183
  const cTrifluoroethanolD3Quin = {
184
- name: 'Trifluoroethanol-d₃ (quin)',
184
+ name: 'Trifluoroethanol-d3 (quin)',
185
185
  value: 61.80,
186
186
  label: 'Trifluoroethanol-d3'
187
187
  };
188
188
  const cTrifluoroethanolD3Broad = {
189
- name: 'Trifluoroethanol-d₃ (broad)',
189
+ name: 'Trifluoroethanol-d3 (broad)',
190
190
  value: 126.28,
191
191
  label: 'Trifluoroethanol-d3'
192
192
  };
193
193
  const cC6D5Cl1 = {
194
- name: 'C₆D₅Cl (s)',
194
+ name: 'C6D5Cl (s)',
195
195
  value: 134.19,
196
196
  label: 'C6D5Cl'
197
197
  };
198
198
  const cC6D5Cl2 = {
199
- name: 'C₆D₅Cl (t)-1',
199
+ name: 'C6D5Cl (t)-1',
200
200
  value: 129.26,
201
201
  label: 'C6D5Cl'
202
202
  };
203
203
  const cC6D5Cl3 = {
204
- name: 'C₆D₅Cl (t)-2',
204
+ name: 'C6D5Cl (t)-2',
205
205
  value: 128.25,
206
206
  label: 'C6D5Cl'
207
207
  };
208
208
  const cC6D5Cl4 = {
209
- name: 'C₆D₅Cl (t)-3',
209
+ name: 'C6D5Cl (t)-3',
210
210
  value: 125.96,
211
211
  label: 'C6D5Cl'
212
212
  };
213
213
  const LIST_SHIFT_13C = exports.LIST_SHIFT_13C = [noReference, cActicAcidD4Sept, cActicAcidD4S, cAcetoneD6Sep, cAcetoneD6Broad, cAcetonitrileD3Sep, cAcetonitrileD3S, cBenzeneT, cChloroformDT, cCyclohexaneD12Quin, cDichloromethaneD2Quin, cDmfD7Sep1, cDmfD7Sep2, cDmfD7T3, cDioxaneD8Quin, cDmsoD6, cEthanolD6Sep, cEthanolD6Quin, cMethanolD4Sep, cPyridineD5T1, cPyridineD5T2, cPyridineD5T3, cThfD8Quin1, cThfD8Quin2, cTmsS, cTolueneD8Sep1, cTolueneD8T2, cTolueneD8T3, cTolueneD8T4, cTolueneD8T5, cTfaDQ1, cTfaDQ2, cTrifluoroethanolD3Quin, cTrifluoroethanolD3Broad, cC6D5Cl1, cC6D5Cl2, cC6D5Cl3, cC6D5Cl4];
214
214
  const hActicAcidD4Quin = {
215
- name: 'Acetic acid-d₄ (quin)',
215
+ name: 'Acetic acid-d4 (quin)',
216
216
  value: 2.04,
217
217
  label: 'Acetic acid-d4'
218
218
  };
219
219
  const hActicAcidD4S = {
220
- name: 'Acetic acid-d₄ (s)',
220
+ name: 'Acetic acid-d4 (s)',
221
221
  value: 11.65,
222
222
  label: 'Acetic acid-d4'
223
223
  };
224
224
  const hAcetoneD6Quin = {
225
- name: 'Acetone-d₆ (quin)',
225
+ name: 'Acetone-d6 (quin)',
226
226
  value: 2.05,
227
227
  label: 'Acetone-d6',
228
228
  nsdb: 'Acetone-D6 ((CD3)2CO)'
229
229
  };
230
230
  const hAcetonitrileD3Qquin = {
231
- name: 'Acetonitrile-d₃ (quin)',
231
+ name: 'Acetonitrile-d3 (quin)',
232
232
  value: 1.94,
233
233
  label: 'Acetonitrile-d3',
234
234
  nsdb: 'Acetonitrile-D3(CD3CN)'
@@ -246,111 +246,111 @@ const hChloroformDS = {
246
246
  nsdb: 'Chloroform-D1 (CDCl3)'
247
247
  };
248
248
  const hCyclohexaneD12S = {
249
- name: 'Cyclohexane-d₁₂ (s)',
249
+ name: 'Cyclohexane-d12 (s)',
250
250
  value: 1.38,
251
251
  label: 'C$6D$1$2'
252
252
  };
253
253
  const hDeuteriumOxideS = {
254
- name: 'D₂O (s)',
254
+ name: 'D2O (s)',
255
255
  value: 4.79,
256
256
  label: 'D$2O',
257
257
  nsdb: 'Deuteriumoxide (D2O)'
258
258
  };
259
259
  const hDichloroethaneD4S = {
260
- name: 'Dichloroethane-d₄ (s)',
260
+ name: 'Dichloroethane-d4 (s)',
261
261
  value: 3.72,
262
262
  label: 'Dichloroethane-d4'
263
263
  };
264
264
  const hDichloromethaneD2T = {
265
- name: 'Dichloromethane-d₂ (t)',
265
+ name: 'Dichloromethane-d2 (t)',
266
266
  value: 5.32,
267
267
  label: 'CD2Cl2',
268
268
  nsdb: 'Methylenchloride-D2 (CD2Cl2)'
269
269
  };
270
270
  const hDMFD7Quin1 = {
271
- name: 'DMF-d₇ (quin)-1',
271
+ name: 'DMF-d7 (quin)-1',
272
272
  value: 2.75,
273
273
  label: 'DMF-d7'
274
274
  };
275
275
  const hDMFD7Quin2 = {
276
- name: 'DMF-d₇ (quin)-2',
276
+ name: 'DMF-d7 (quin)-2',
277
277
  value: 2.92,
278
278
  label: 'DMF-d7'
279
279
  };
280
280
  const hDMFD7Broad3 = {
281
- name: 'DMF-d₇ (broad)-3',
281
+ name: 'DMF-d7 (broad)-3',
282
282
  value: 8.03,
283
283
  label: 'DMF-d7'
284
284
  };
285
285
  const hDioxaneD8Broad = {
286
- name: 'Dioxane-d₈ (broad)',
286
+ name: 'Dioxane-d8 (broad)',
287
287
  value: 3.53,
288
288
  label: 'Dioxane-d8'
289
289
  };
290
290
  const hDMSOD6Quin = {
291
- name: 'DMSO-d₆ (quin)',
291
+ name: 'DMSO-d6 (quin)',
292
292
  value: 2.50,
293
293
  label: 'DMSO-d6',
294
294
  nsdb: 'Dimethylsulphoxide-D6 (DMSO-D6, C2D6SO)'
295
295
  };
296
296
  const hEthanolD6Broad1 = {
297
- name: 'Ethanol-d₆ (broad)-1',
297
+ name: 'Ethanol-d6 (broad)-1',
298
298
  value: 1.11,
299
299
  label: 'Ethanol-d6'
300
300
  };
301
301
  const hEthanolD6S2 = {
302
- name: 'Ethanol-d₆ (s)-2',
302
+ name: 'Ethanol-d6 (s)-2',
303
303
  value: 3.56,
304
304
  label: 'Ethanol-d6'
305
305
  };
306
306
  const hEthanolD6S3 = {
307
- name: 'Ethanol-d₆ (s)-3',
307
+ name: 'Ethanol-d6 (s)-3',
308
308
  value: 5.29,
309
309
  label: 'Ethanol-d6'
310
310
  };
311
311
  const hMethanolD4Quin = {
312
- name: 'Methanol-d₄ (quin)',
312
+ name: 'Methanol-d4 (quin)',
313
313
  value: 3.31,
314
314
  label: 'Methanol-d4',
315
315
  nsdb: 'Methanol-D4 (CD3OD)'
316
316
  };
317
317
  const hMethanolD4S = {
318
- name: 'Methanol-d₄ (s)',
318
+ name: 'Methanol-d4 (s)',
319
319
  value: 4.87,
320
320
  label: 'Methanol-d4',
321
321
  nsdb: 'Methanol-D4 (CD3OD)'
322
322
  };
323
323
  const hNitromethaneD3S = {
324
- name: 'Nitromethane-d₃ (s)',
324
+ name: 'Nitromethane-d3 (s)',
325
325
  value: 4.33,
326
326
  label: 'Nitromethane-d3'
327
327
  };
328
328
  const hPyridineD5Broad1 = {
329
- name: 'Pyridine-d₅ (broad)-1',
329
+ name: 'Pyridine-d5 (broad)-1',
330
330
  value: 7.22,
331
331
  label: 'Pyridine-d5',
332
332
  nsdb: 'Pyridin-D5 (C5D5N)'
333
333
  };
334
334
  const hPyridineD5Broad2 = {
335
- name: 'Pyridine-d₅ (broad)-2',
335
+ name: 'Pyridine-d5 (broad)-2',
336
336
  value: 7.58,
337
337
  label: 'Pyridine-d5',
338
338
  nsdb: 'Pyridin-D5 (C5D5N)'
339
339
  };
340
340
  const hPyridineD5Broad3 = {
341
- name: 'Pyridine-d₅ (broad)-3',
341
+ name: 'Pyridine-d5 (broad)-3',
342
342
  value: 8.74,
343
343
  label: 'Pyridine-d5',
344
344
  nsdb: 'Pyridin-D5 (C5D5N)'
345
345
  };
346
346
  const hTHFD8S1 = {
347
- name: 'THF-d₈ (s)-1',
347
+ name: 'THF-d8 (s)-1',
348
348
  value: 1.73,
349
349
  label: 'THF-d8',
350
350
  nsdb: 'Tetrahydrofuran-D8 (THF-D8, C4D4O)'
351
351
  };
352
352
  const hTHFD8S2 = {
353
- name: 'THF-d₈ (s)-2',
353
+ name: 'THF-d8 (s)-2',
354
354
  value: 3.58,
355
355
  label: 'THF-d8',
356
356
  nsdb: 'Tetrahydrofuran-D8 (THF-D8, C4D4O)'
@@ -361,22 +361,22 @@ const hTMSS = {
361
361
  label: 'TMS'
362
362
  };
363
363
  const hTolueneD8Quin = {
364
- name: 'Toluene-d₈ (quin)-1',
364
+ name: 'Toluene-d8 (quin)-1',
365
365
  value: 2.09,
366
366
  label: 'Toluene-d8'
367
367
  };
368
368
  const hTolueneD8Boad2 = {
369
- name: 'Toluene-d₈ (boad)-2',
369
+ name: 'Toluene-d8 (boad)-2',
370
370
  value: 6.98,
371
371
  label: 'Toluene-d8'
372
372
  };
373
373
  const hTolueneD8S3 = {
374
- name: 'Toluene-d₈ (s)-3',
374
+ name: 'Toluene-d8 (s)-3',
375
375
  value: 7.00,
376
376
  label: 'Toluene-d8'
377
377
  };
378
378
  const hTolueneD8Broad4 = {
379
- name: 'Toluene-d₈ (broad)-4',
379
+ name: 'Toluene-d8 (broad)-4',
380
380
  value: 7.09,
381
381
  label: 'Toluene-d8'
382
382
  };
@@ -386,12 +386,12 @@ const hTFADS = {
386
386
  label: 'TFA-d'
387
387
  };
388
388
  const hTrifluoroethanolD31 = {
389
- name: 'Trifluoroethanol-d₃-1',
389
+ name: 'Trifluoroethanol-d3-1',
390
390
  value: 3.88,
391
391
  label: 'Trifluoroethanol-d3'
392
392
  };
393
393
  const hTrifluoroethanolD32 = {
394
- name: 'Trifluoroethanol-d₃-2',
394
+ name: 'Trifluoroethanol-d3-2',
395
395
  value: 5.02,
396
396
  label: 'Trifluoroethanol-d3'
397
397
  };
package/dist/helpers/format.js CHANGED
@@ -415,6 +415,12 @@ const peaksWrapper = (layout, shift, atIndex = 0) => {
415
415
  };
416
416
  }
417
417
  const ops = spectraOps[layout];
418
+ if (!ops) {
419
+ return {
420
+ head: '',
421
+ tail: ''
422
+ };
423
+ }
418
424
  return {
419
425
  head: `${ops.head}${solvTxt} = `,
420
426
  tail: ops.tail
package/dist/index.js CHANGED
@@ -51,6 +51,24 @@ require("./__tests__/style/svg.css");
51
51
  var _jsxRuntime = require("react/jsx-runtime");
52
52
  /* eslint-disable prefer-object-spread, default-param-last, no-nested-ternary */
53
53
 
54
+ const pickSelectedSpectrumFromPayload = payload => {
55
+ const spectraList = payload?.spectra_list;
56
+ if (!Array.isArray(spectraList)) return payload || {};
57
+ if (spectraList.length === 0) return {};
58
+ const selectedIdx = Number.isFinite(payload?.curveSt?.curveIdx) ? payload.curveSt.curveIdx : 0;
59
+ return spectraList[selectedIdx] || spectraList[0] || {};
60
+ };
61
+ const normalizeShiftForFormatting = shift => {
62
+ if (shift && Array.isArray(shift.shifts)) return shift;
63
+ return {
64
+ selectedIdx: 0,
65
+ shifts: [shift || {
66
+ ref: {},
67
+ peak: false,
68
+ enable: true
69
+ }]
70
+ };
71
+ };
54
72
  const nmr1HEntity = _app.FN.ExtractJcamp(_nmr1h_jcamp.default);
55
73
  const nmr1HEntity2 = _app.FN.ExtractJcamp(_nmr1h_2_jcamp.default);
56
74
  const nmr13CEntity = _app.FN.ExtractJcamp(_nmr13c_jcamp.default);
@@ -280,6 +298,7 @@ class DemoWriteIr extends _react.default.Component {
280
298
  curveSt
281
299
  }) {
282
300
  const entity = this.loadEntity();
301
+ const safeLayout = layout || entity?.layout;
283
302
  const {
284
303
  features
285
304
  } = entity;
@@ -294,11 +313,12 @@ class DemoWriteIr extends _react.default.Component {
294
313
  maxY,
295
314
  minY
296
315
  };
316
+ const shiftForFormatting = normalizeShiftForFormatting(shift);
297
317
  const body = _app.FN.peaksBody({
298
318
  peaks,
299
- layout,
319
+ layout: safeLayout,
300
320
  decimal,
301
- shift,
321
+ shift: shiftForFormatting,
302
322
  isAscend,
303
323
  isIntensity,
304
324
  boundary,
@@ -306,9 +326,9 @@ class DemoWriteIr extends _react.default.Component {
306
326
  waveLength,
307
327
  temperature
308
328
  });
309
- const wrapper = _app.FN.peaksWrapper(layout, shift);
329
+ const wrapper = _app.FN.peaksWrapper(safeLayout, shiftForFormatting);
310
330
  let desc = this.rmDollarSign(wrapper.head) + body + wrapper.tail;
311
- if (_app.FN.isCyclicVoltaLayout(layout)) {
331
+ if (_app.FN.isCyclicVoltaLayout(safeLayout) && cyclicvoltaSt?.spectraList && curveSt?.listCurves) {
312
332
  const {
313
333
  spectraList
314
334
  } = cyclicvoltaSt;
@@ -318,6 +338,7 @@ class DemoWriteIr extends _react.default.Component {
318
338
  } = curveSt;
319
339
  const selectedVolta = spectraList[curveIdx];
320
340
  const selectedCurve = listCurves[curveIdx];
341
+ if (!selectedVolta || !selectedCurve?.feature) return desc;
321
342
  const {
322
343
  feature
323
344
  } = selectedCurve;
@@ -380,10 +401,12 @@ class DemoWriteIr extends _react.default.Component {
380
401
  };
381
402
  const area = it.area * refFactor / refArea; // eslint-disable-line
382
403
  const center = _app.FN.calcMpyCenter(peaks, shiftVal, mpyType);
404
+ const safeCenter = Number.isFinite(center) ? center : 0;
383
405
  const xs = m.peaks.map(p => p.x).sort((a, b) => a - b);
384
406
  const [aIdx, bIdx] = isAscend ? [0, xs.length - 1] : [xs.length - 1, 0];
385
- const mxA = mpyType === 'm' ? (xs[aIdx] - shiftVal).toFixed(decimal) : 0;
386
- const mxB = mpyType === 'm' ? (xs[bIdx] - shiftVal).toFixed(decimal) : 0;
407
+ const hasValidRange = xs.length > 0 && Number.isFinite(shiftVal);
408
+ const mxA = mpyType === 'm' && hasValidRange ? (xs[aIdx] - shiftVal).toFixed(decimal) : safeCenter.toFixed(decimal);
409
+ const mxB = mpyType === 'm' && hasValidRange ? (xs[bIdx] - shiftVal).toFixed(decimal) : safeCenter.toFixed(decimal);
387
410
  return Object.assign({}, m, {
388
411
  area,
389
412
  center,
@@ -400,22 +423,25 @@ class DemoWriteIr extends _react.default.Component {
400
423
  const location = type === 'm' ? `${m.mxA}–${m.mxB}` : `${c.toFixed(decimal)}`;
401
424
  return m.js.length === 0 ? `${location} (${type}${atomCount})` : `${location} (${type}, ${js}${atomCount})`;
402
425
  }).join(', ');
426
+ const shiftRef = shift?.ref || {};
403
427
  const {
404
428
  label,
405
429
  value,
406
430
  name
407
- } = shift.ref;
408
- const solvent = label ? `${name.split('(')[0].trim()} [${value.toFixed(decimal)} ppm], ` : '';
431
+ } = shiftRef;
432
+ const hasValidShiftRef = !!label && Number.isFinite(value) && typeof name === 'string';
433
+ const solvent = hasValidShiftRef ? `${name.split('(')[0].trim()} [${value.toFixed(decimal)} ppm], ` : '';
409
434
  return `${layout} NMR (${freqStr}${solvent}ppm) δ = ${str}.`;
410
435
  }
411
- writeMpy({
412
- layout,
413
- shift,
414
- isAscend,
415
- decimal,
416
- multiplicity,
417
- integration
418
- }) {
436
+ writeMpy(payload) {
437
+ const {
438
+ layout,
439
+ shift,
440
+ isAscend,
441
+ decimal,
442
+ multiplicity,
443
+ integration
444
+ } = pickSelectedSpectrumFromPayload(payload);
419
445
  if (!_app.FN.isNmrLayout(layout)) return;
420
446
  const desc = this.formatMpy({
421
447
  multiplicity,
@@ -429,18 +455,19 @@ class DemoWriteIr extends _react.default.Component {
429
455
  desc
430
456
  });
431
457
  }
432
- writePeak({
433
- peaks,
434
- layout,
435
- shift,
436
- isAscend,
437
- decimal,
438
- isIntensity,
439
- integration,
440
- waveLength,
441
- cyclicvoltaSt,
442
- curveSt
443
- }) {
458
+ writePeak(payload) {
459
+ const {
460
+ peaks,
461
+ layout,
462
+ shift,
463
+ isAscend,
464
+ decimal,
465
+ isIntensity,
466
+ integration,
467
+ waveLength,
468
+ cyclicvoltaSt,
469
+ curveSt
470
+ } = pickSelectedSpectrumFromPayload(payload);
444
471
  const desc = this.formatPks({
445
472
  peaks,
446
473
  layout,
@@ -458,19 +485,21 @@ class DemoWriteIr extends _react.default.Component {
458
485
  desc
459
486
  });
460
487
  }
461
- savePeaks({
462
- peaks,
463
- layout,
464
- shift,
465
- isAscend,
466
- decimal,
467
- analysis,
468
- isIntensity,
469
- integration,
470
- multiplicity,
471
- waveLength
472
- }) {
488
+ savePeaks(payload) {
489
+ const {
490
+ peaks,
491
+ layout,
492
+ shift,
493
+ isAscend,
494
+ decimal,
495
+ analysis,
496
+ isIntensity,
497
+ integration,
498
+ multiplicity,
499
+ waveLength
500
+ } = pickSelectedSpectrumFromPayload(payload);
473
501
  const entity = this.loadEntity();
502
+ const safeLayout = layout || entity?.layout;
474
503
  const {
475
504
  features
476
505
  } = entity;
@@ -485,11 +514,12 @@ class DemoWriteIr extends _react.default.Component {
485
514
  maxY,
486
515
  minY
487
516
  };
517
+ const shiftForFormatting = normalizeShiftForFormatting(shift);
488
518
  const body = _app.FN.peaksBody({
489
519
  peaks,
490
- layout,
520
+ layout: safeLayout,
491
521
  decimal,
492
- shift,
522
+ shift: shiftForFormatting,
493
523
  isAscend,
494
524
  isIntensity,
495
525
  boundary,
package/package.json CHANGED
@@ -1,6 +1,6 @@
1
1
  {
2
2
  "name": "@complat/react-spectra-editor",
3
- "version": "1.6.0",
3
+ "version": "1.7.0",
4
4
  "description": "An editor to View and Edit Chemical Spectra data (NMR, IR, MS, CV, UIVIS, XRD, GC, and DSC).",
5
5
  "repository": {
6
6
  "type": "git",