@complat/react-spectra-editor 1.7.1 → 1.8.0

package/dist/__tests__/units/components/cmd_bar/r05_submit_btn.test.js

@@ -5,13 +5,24 @@ var _reduxMockStore = _interopRequireDefault(require("redux-mock-store"));
 var _reactRedux = require("react-redux");
 var _react = require("@testing-library/react");
 require("@testing-library/jest-dom");
-var _r05_submit_btn = _interopRequireDefault(require("../../../../components/cmd_bar/r05_submit_btn"));
+var _r05_submit_btn = _interopRequireWildcard(require("../../../../components/cmd_bar/r05_submit_btn"));
+var _format = _interopRequireDefault(require("../../../../helpers/format"));
 var _jsxRuntime = require("react/jsx-runtime");
+function _interopRequireWildcard(e, t) { if ("function" == typeof WeakMap) var r = new WeakMap(), n = new WeakMap(); return (_interopRequireWildcard = function _interopRequireWildcard(e, t) { if (!t && e && e.__esModule) return e; var o, i, f = { __proto__: null, default: e }; if (null === e || "object" != typeof e && "function" != typeof e) return f; if (o = t ? n : r) { if (o.has(e)) return o.get(e); o.set(e, f); } for (const t in e) "default" !== t && {}.hasOwnProperty.call(e, t) && ((i = (o = Object.defineProperty) && Object.getOwnPropertyDescriptor(e, t)) && (i.get || i.set) ? o(f, t, i) : f[t] = e[t]); return f; })(e, t); }
 jest.mock('../../../../helpers/extractPeaksEdit', () => ({
-  extractPeaksEdit: jest.fn(() => [{
+  extractPeaksEdit: () => [{
     x: 1,
     y: 2
-  }])
+  }],
+  formatLcmsPeaksForBackend: () => [{
+    peakMock: true
+  }],
+  formatLcmsIntegralsForBackend: () => [{
+    integralMock: true
+  }],
+  getLcmsMzPageData: () => ({
+    mzPageDataMock: true
+  })
 }));
 const mockStore = (0, _reduxMockStore.default)([]);
 const buildBaseState = (overrides = {}) => ({
@@ -83,6 +94,7 @@ const buildBaseState = (overrides = {}) => ({
   meta: {
     dscMetaData: {}
   },
+  hplcMs: {},
   ...overrides
 });
 const renderBtnSubmit = (state, operationValue) => {
@@ -214,4 +226,147 @@ describe('<BtnSubmit payload contract />', () => {
     expect(noFlagsPayload.spectra_list[0]).not.toHaveProperty('keepPred');
     expect(noFlagsPayload.spectra_list[0]).not.toHaveProperty('simulatenmr');
   });
+  describe('layout LC/MS', () => {
+    const uvvisFeature = {
+      xUnit: 'min',
+      yUnit: 'mAU',
+      scanAutoTarget: 1,
+      thresRef: 3
+    };
+    let formatedLcmsSpy;
+    beforeEach(() => {
+      formatedLcmsSpy = jest.spyOn(_format.default, 'formatedLCMS').mockReturnValue('lcms_head_text');
+    });
+    afterEach(() => {
+      formatedLcmsSpy.mockRestore();
+    });
+    it('replicates lcms_* onto each UVVIS entry in spectra_list', () => {
+      const operationValue = jest.fn();
+      const state = buildBaseState({
+        layout: 'LC/MS',
+        curve: {
+          curveIdx: 0,
+          listCurves: [{
+            lcmsKind: 'uvvis',
+            feature: {
+              ...uvvisFeature,
+              scanAutoTarget: 1
+            }
+          }, {
+            lcmsKind: 'uvvis',
+            feature: {
+              ...uvvisFeature,
+              scanAutoTarget: 2
+            }
+          }]
+        },
+        hplcMs: {
+          uvvis: {
+            selectedWaveLength: 220
+          },
+          tic: {
+            currentPageValue: 1.25
+          }
+        }
+      });
+      renderBtnSubmit(state, operationValue);
+      const payload = operationValue.mock.calls[0][0];
+      expect(payload.spectra_list).toHaveLength(2);
+      payload.spectra_list.forEach(entry => {
+        expect(entry.lcms_peaks).toEqual([{
+          peakMock: true
+        }]);
+        expect(entry.lcms_integrals).toEqual([{
+          integralMock: true
+        }]);
+        expect(entry.lcms_integrations_export).toBe('percent');
+        expect(entry.lcms_peaks_text).toBe('lcms_head_text');
+        expect(entry.lcms_uvvis_wavelength).toBe(220);
+        expect(entry.lcms_mz_page).toBe(1.25);
+        expect(entry.lcms_mz_page_data).toEqual({
+          mzPageDataMock: true
+        });
+      });
+      expect(payload.lcms_peaks).toEqual([{
+        peakMock: true
+      }]);
+      expect(formatedLcmsSpy).toHaveBeenCalled();
+    });
+    it('with no UVVIS in listCurves (fallback to feature), no lcms_* on the spectrum item', () => {
+      const operationValue = jest.fn();
+      const state = buildBaseState({
+        layout: 'LC/MS',
+        curve: {
+          curveIdx: 0,
+          listCurves: [{
+            lcmsKind: 'tic',
+            feature: uvvisFeature
+          }]
+        },
+        hplcMs: {
+          uvvis: {
+            selectedWaveLength: 210
+          },
+          tic: {
+            currentPageValue: 0.5
+          }
+        }
+      });
+      renderBtnSubmit(state, operationValue);
+      const payload = operationValue.mock.calls[0][0];
+      expect(payload.spectra_list).toHaveLength(1);
+      const entry = payload.spectra_list[0];
+      expect(entry).not.toHaveProperty('lcms_peaks');
+      expect(entry).not.toHaveProperty('lcms_integrals');
+      expect(entry).not.toHaveProperty('lcms_peaks_text');
+      expect(payload.lcms_peaks).toEqual([{
+        peakMock: true
+      }]);
+    });
+  });
+
+  // Regression for review finding RR-1 (B5 remainder): the CV current-density factor
+  // used on submit/export must match the chart (multi_focus.computeYTransformFactor)
+  // and panel — i.e. one conversion to A/cm², not a double /100 for mm².
+  describe('computeCvYScaleFactor — CV current-density factor (RR-1 / B5)', () => {
+    const feature = {
+      yUnit: 'A'
+    };
+    it('returns 1.0 when current density is off', () => {
+      expect((0, _r05_submit_btn.computeCvYScaleFactor)(feature, {
+        useCurrentDensity: false
+      })).toEqual(1.0);
+    });
+    it('treats 100 mm² the same as 1 cm² (no double /100)', () => {
+      const fMm2 = (0, _r05_submit_btn.computeCvYScaleFactor)(feature, {
+        useCurrentDensity: true,
+        areaValue: 100,
+        areaUnit: 'mm²'
+      });
+      const fCm2 = (0, _r05_submit_btn.computeCvYScaleFactor)(feature, {
+        useCurrentDensity: true,
+        areaValue: 1,
+        areaUnit: 'cm²'
+      });
+      expect(fMm2).toBeCloseTo(fCm2);
+      expect(fMm2).toBeCloseTo(1.0); // pre-fix this was 0.01 (100x too small)
+    });
+    it('gives A/cm² for a mm² area (factor = 100 / area_mm²)', () => {
+      // 50 mm² == 0.5 cm² → factor 1/0.5 = 2
+      expect((0, _r05_submit_btn.computeCvYScaleFactor)(feature, {
+        useCurrentDensity: true,
+        areaValue: 50,
+        areaUnit: 'mm²'
+      })).toBeCloseTo(2.0);
+    });
+    it('scales by 1000 for mA while keeping the area conversion', () => {
+      expect((0, _r05_submit_btn.computeCvYScaleFactor)({
+        yUnit: 'mA'
+      }, {
+        useCurrentDensity: true,
+        areaValue: 100,
+        areaUnit: 'mm²'
+      })).toBeCloseTo(1000.0);
+    });
+  });
 });

package/dist/__tests__/units/components/d3_line_rect.test.js

@@ -0,0 +1,85 @@
+"use strict";
+
+var _interopRequireDefault = require("@babel/runtime/helpers/interopRequireDefault");
+var _index = require("../../../components/d3_line_rect/index");
+var _multi_focus = require("../../../components/d3_line_rect/multi_focus");
+var _rect_focus = _interopRequireDefault(require("../../../components/d3_line_rect/rect_focus"));
+describe('isLcmsMsPageLoading', () => {
+  const buildMzEntity = (polarity, pageValues) => ({
+    layout: 'LC/MS',
+    lcmsKind: 'mz',
+    lcmsPolarity: polarity,
+    features: pageValues.map(pageValue => ({
+      pageValue,
+      data: [{
+        x: [100, 101],
+        y: [10, 5]
+      }]
+    }))
+  });
+  it('returns true when the requested RT is not available yet', () => {
+    const state = {
+      tic: {
+        polarity: 'positive',
+        currentPageValue: 2.5
+      }
+    };
+    expect((0, _index.isLcmsMsPageLoading)([buildMzEntity('positive', [1.2])], state)).toEqual(true);
+  });
+  it('returns false when the requested RT is already present', () => {
+    const state = {
+      tic: {
+        polarity: 'negative',
+        currentPageValue: 2.5
+      }
+    };
+    expect((0, _index.isLcmsMsPageLoading)([buildMzEntity('positive', [1.2]), buildMzEntity('negative', [2.5])], state)).toEqual(false);
+  });
+  it('prefers persisted polarity over default curveIdx when reopening the editor', () => {
+    const ticEntities = [{
+      lcmsPolarity: 'positive'
+    }, {
+      lcmsPolarity: 'negative'
+    }];
+    expect((0, _multi_focus.pickTicIndex)(ticEntities, 0, 'negative')).toEqual(1);
+  });
+  it('falls back to curveIdx when polarity is unavailable', () => {
+    const ticEntities = [{
+      lcmsPolarity: 'positive'
+    }, {
+      lcmsPolarity: 'negative'
+    }];
+    expect((0, _multi_focus.pickTicIndex)(ticEntities, 1, null)).toEqual(1);
+  });
+  it('returns true when no MS page has been received yet', () => {
+    const state = {
+      tic: {
+        polarity: 'positive',
+        currentPageValue: 2.5
+      }
+    };
+    expect((0, _index.isLcmsMsPageLoading)([], state)).toEqual(true);
+  });
+});
+
+// Review finding B7 (#232): drawBar reads tTrEndPts[0].y. Clearing the
+// threshold makes convertThresEndPts return [] (see chem.test.tsx) while the
+// MS bars are still present, so drawBar must guard the empty endpoint list
+// instead of crashing.
+describe('RectFocus.drawBar with an empty threshold-endpoint list (B7)', () => {
+  it('does not crash when tTrEndPts is empty but bars exist', () => {
+    const rf = Object.create(_rect_focus.default.prototype);
+    rf.bars = {}; // truthy → passes the `if (!this.bars)` guard
+    rf.scales = {
+      x: v => v,
+      y: v => v
+    }; // TfRescale reads focus.scales.{x,y}
+    rf.updatePathCall = () => {}; // stub out the d3 path update
+    rf.data = [{
+      x: 1,
+      y: 2
+    }]; // bars present
+    rf.tTrEndPts = []; // cleared threshold → empty endpoints
+    expect(() => rf.drawBar()).not.toThrow();
+  });
+});

package/dist/__tests__/units/components/d3_multi/multi_focus.test.js

@@ -0,0 +1,43 @@
+"use strict";
+
+var _interopRequireDefault = require("@babel/runtime/helpers/interopRequireDefault");
+var _multi_focus = _interopRequireDefault(require("../../../../components/d3_multi/multi_focus"));
+var _list_layout = require("../../../../constants/list_layout");
+// Review finding B5 (#232): the CV current-density factor on the chart
+// (computeYTransformFactor) must convert the electrode area to cm² exactly
+// once. Physically 100 mm² == 1 cm², so the factor for the two must match —
+// double-dividing by 100 for mm² made it 100x too small.
+// (computeYTransformFactor is pure — it ignores `this` — so it is called via
+//  the prototype.)
+describe('MultiFocus.computeYTransformFactor — CV current density (B5)', () => {
+  const compute = cvSt => _multi_focus.default.prototype.computeYTransformFactor.call({}, _list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY, cvSt, {
+    yUnit: 'A'
+  });
+  it('treats 100 mm² the same as 1 cm²', () => {
+    const fMm2 = compute({
+      useCurrentDensity: true,
+      areaValue: 100,
+      areaUnit: 'mm²'
+    });
+    const fCm2 = compute({
+      useCurrentDensity: true,
+      areaValue: 1,
+      areaUnit: 'cm²'
+    });
+    expect(fMm2).toBeCloseTo(fCm2);
+    expect(fMm2).toBeCloseTo(1.0); // double /100 for mm² gives 0.01
+  });
+  it('gives A/cm² for a mm² area (factor = 100 / area_mm²)', () => {
+    // 50 mm² == 0.5 cm² → factor 1 / 0.5 = 2
+    expect(compute({
+      useCurrentDensity: true,
+      areaValue: 50,
+      areaUnit: 'mm²'
+    })).toBeCloseTo(2.0);
+  });
+  it('returns 1.0 when current density is off', () => {
+    expect(compute({
+      useCurrentDensity: false
+    })).toBeCloseTo(1.0);
+  });
+});

package/dist/__tests__/units/components/hplc_viewer.test.js

@@ -0,0 +1,123 @@
+"use strict";
+
+var _interopRequireDefault = require("@babel/runtime/helpers/interopRequireDefault");
+var _react = _interopRequireDefault(require("react"));
+var _react2 = require("@testing-library/react");
+require("@testing-library/jest-dom");
+var _reduxMockStore = _interopRequireDefault(require("redux-mock-store"));
+var _reactRedux = require("react-redux");
+var _material = require("@mui/material");
+var _styles = require("@mui/styles");
+var _hplc_viewer = _interopRequireDefault(require("../../../components/hplc_viewer"));
+var _list_layout = require("../../../constants/list_layout");
+var _jsxRuntime = require("react/jsx-runtime");
+jest.mock('../../../components/cmd_bar/index', () => props => /*#__PURE__*/(0, _jsxRuntime.jsxs)("div", {
+  "data-testid": "cmd-bar",
+  children: [props.editorOnly ? 'editorOnly' : 'editable', "-", props.hideThreshold ? 'hideThreshold' : 'showThreshold']
+}));
+jest.mock('../../../components/d3_line_rect/index', () => props => /*#__PURE__*/(0, _jsxRuntime.jsxs)("div", {
+  "data-testid": "viewer-line-rect",
+  children: ["tic:", props.ticEntities?.length || 0, "-uvvis:", props.uvvisEntities?.length || 0, "-mz:", props.mzEntities?.length || 0]
+}));
+jest.mock('../../../components/panel/index', () => props => /*#__PURE__*/(0, _jsxRuntime.jsx)("div", {
+  "data-testid": "panel-viewer",
+  children: props.integration ? 'hasIntegration' : 'noIntegration'
+}));
+const mockStore = (0, _reduxMockStore.default)([]);
+const theme = (0, _material.createTheme)();
+const renderWithStore = (state, extraProps = {}) => {
+  const store = mockStore(state);
+  return (0, _react2.render)(/*#__PURE__*/(0, _jsxRuntime.jsx)(_reactRedux.Provider, {
+    store: store,
+    children: /*#__PURE__*/(0, _jsxRuntime.jsx)(_styles.ThemeProvider, {
+      theme: theme,
+      children: /*#__PURE__*/(0, _jsxRuntime.jsx)(_hplc_viewer.default, {
+        operations: [],
+        entityFileNames: [],
+        userManualLink: {},
+        molSvg: "",
+        theoryMass: "",
+        descriptions: [],
+        canChangeDescription: false,
+        onDescriptionChanged: () => {},
+        editorOnly: true,
+        ...extraProps
+      })
+    })
+  }));
+};
+describe('<HPLCViewer />', () => {
+  it('renders empty view when there are no entities', () => {
+    renderWithStore({
+      curve: {
+        listCurves: [],
+        curveIdx: 0
+      },
+      layout: _list_layout.LIST_LAYOUT.LC_MS,
+      integration: {
+        present: {
+          integrations: []
+        }
+      },
+      hplcMs: {}
+    });
+    expect(_react2.screen.queryByTestId('cmd-bar')).not.toBeInTheDocument();
+    expect(_react2.screen.queryByTestId('viewer-line-rect')).not.toBeInTheDocument();
+    expect(_react2.screen.queryByTestId('panel-viewer')).not.toBeInTheDocument();
+  });
+  it('renders LCMS blocks with split entities and selected integration', () => {
+    const entities = [{
+      csCategory: ['tic', 'positive'],
+      feature: {
+        xUnit: 'min',
+        yUnit: 'intensity'
+      },
+      topic: {
+        x: [1, 2],
+        y: [10, 20]
+      }
+    }, {
+      csCategory: ['uvvis'],
+      feature: {
+        xUnit: 'nm',
+        yUnit: 'AU'
+      },
+      topic: {
+        x: [210],
+        y: [0.4]
+      }
+    }, {
+      csCategory: ['mz', 'negative'],
+      feature: {
+        xUnit: 'm/z',
+        yUnit: 'counts'
+      },
+      topic: {
+        x: [100],
+        y: [5]
+      }
+    }];
+    renderWithStore({
+      curve: {
+        listCurves: entities,
+        curveIdx: 1
+      },
+      layout: _list_layout.LIST_LAYOUT.LC_MS,
+      integration: {
+        present: {
+          integrations: [null, {
+            id: 'int-2'
+          }, null]
+        }
+      },
+      hplcMs: {
+        tic: {
+          polarity: 'positive'
+        }
+      }
+    });
+    expect(_react2.screen.getByTestId('cmd-bar')).toHaveTextContent('editorOnly-hideThreshold');
+    expect(_react2.screen.getByTestId('viewer-line-rect')).toHaveTextContent('tic:1-uvvis:1-mz:1');
+    expect(_react2.screen.getByTestId('panel-viewer')).toHaveTextContent('hasIntegration');
+  });
+});

package/dist/__tests__/units/components/panel/info.test.js

@@ -23,7 +23,9 @@ const store = mockStore({
   shift: {
     shifts: []
   },
-  simulation: {},
+  simulation: {
+    nmrSimPeaks: []
+  },
   detector: {
     curves: [{
       curveIdx: 0,
@@ -33,9 +35,16 @@ const store = mockStore({
       }
     }]
   },
-  meta: {}
+  meta: {
+    dscMetaData: {}
+  },
+  hplcMs: {
+    uvvis: {
+      spectraList: [],
+      listWaveLength: []
+    }
+  }
 });
-const failedStore = mockStore({});
 const dispatchMock = () => Promise.resolve({});
 store.dispatch = jest.fn(dispatchMock);
 const theme = (0, _material.createTheme)({
@@ -44,6 +53,14 @@ const theme = (0, _material.createTheme)({
   }
 });
 const feature = {};
+const baseProps = {
+  feature,
+  integration: {},
+  editorOnly: false,
+  molSvg: '',
+  descriptions: '',
+  canChangeDescription: false
+};
 describe("<InfoPanel />", () => {
   let AppWrapper;
   beforeEach(() => {
@@ -57,37 +74,60 @@ describe("<InfoPanel />", () => {
       });
     };
   });
-  test('Cannot render info panel', () => {
+  test('Render info panel', () => {
     const renderer = /*#__PURE__*/(0, _jsxRuntime.jsx)(AppWrapper, {
       store: store,
       children: /*#__PURE__*/(0, _jsxRuntime.jsx)(_styles.ThemeProvider, {
         theme: theme,
         children: /*#__PURE__*/(0, _jsxRuntime.jsx)(_info.default, {
           expand: false,
-          onExapnd: () => {}
+          onExpand: () => {},
+          ...baseProps
         })
       })
     });
     const {
       queryByTestId
     } = (0, _react2.render)(renderer);
-    expect(queryByTestId('PanelInfo')).not.toBeInTheDocument();
+    expect(queryByTestId('PanelInfo')).toBeInTheDocument();
   });
-  test('Render info panel', () => {
+  test('Render M+ exact mass for MS layout', () => {
+    const msStore = mockStore({
+      curve: {
+        listCurves: [{
+          feature: {}
+        }],
+        curveIdx: 0
+      },
+      layout: _list_layout.LIST_LAYOUT.MS,
+      shift: {
+        shifts: []
+      },
+      simulation: [],
+      detector: {
+        curves: [{
+          curveIdx: 0,
+          selectedDetector: {
+            name: 'Refractive index',
+            label: 'RI'
+          }
+        }]
+      },
+      meta: {}
+    });
     const renderer = /*#__PURE__*/(0, _jsxRuntime.jsx)(AppWrapper, {
-      store: store,
+      store: msStore,
       children: /*#__PURE__*/(0, _jsxRuntime.jsx)(_styles.ThemeProvider, {
         theme: theme,
         children: /*#__PURE__*/(0, _jsxRuntime.jsx)(_info.default, {
-          expand: false,
-          onExapnd: () => {},
-          feature: feature
+          expand: true,
+          onExpand: () => {},
+          feature: feature,
+          exactMass: "121.0653"
         })
       })
     });
-    const {
-      queryByTestId
-    } = (0, _react2.render)(renderer);
-    expect(queryByTestId('PanelInfo')).toBeInTheDocument();
+    (0, _react2.render)(renderer);
+    expect(_react2.screen.getByText('121.064751 g/mol')).toBeInTheDocument();
   });
 });

package/dist/__tests__/units/features/lc-ms/parsing/lcmsCategory.test.js

@@ -0,0 +1,73 @@
+"use strict";
+
+var _lcmsCategory = require("../../../../../features/lc-ms/parsing/lcmsCategory");
+describe('lc-ms/parsing lcmsCategory', () => {
+  describe('normalizeLcMsMode', () => {
+    it('maps vendor strings to NEGATIVE / POSITIVE / NEUTRAL', () => {
+      expect((0, _lcmsCategory.normalizeLcMsMode)('Positive Mode')).toBe('POSITIVE');
+      expect((0, _lcmsCategory.normalizeLcMsMode)('NEGATIV')).toBe('NEGATIVE');
+      expect((0, _lcmsCategory.normalizeLcMsMode)('neutral scan')).toBe('NEUTRAL');
+    });
+    it('returns NEUTRAL for empty or unknown', () => {
+      expect((0, _lcmsCategory.normalizeLcMsMode)('')).toBe('NEUTRAL');
+      expect((0, _lcmsCategory.normalizeLcMsMode)(null)).toBe('NEUTRAL');
+      expect((0, _lcmsCategory.normalizeLcMsMode)('unknown')).toBe('NEUTRAL');
+    });
+  });
+  describe('inferLcMsKind', () => {
+    it('detects TIC from MASS TIC or CHROMATOGRAM', () => {
+      expect((0, _lcmsCategory.inferLcMsKind)({
+        dataType: 'MASS TIC'
+      }, {})).toBe('TIC');
+      expect((0, _lcmsCategory.inferLcMsKind)({}, {
+        dataType: 'mass tic'
+      })).toBe('TIC');
+      expect((0, _lcmsCategory.inferLcMsKind)({}, {
+        info: {
+          TYPE: 'CHROMATOGRAM'
+        }
+      })).toBe('TIC');
+    });
+    it('detects MZ from MASS SPECTRUM', () => {
+      expect((0, _lcmsCategory.inferLcMsKind)({
+        dataType: 'MASS SPECTRUM'
+      }, {})).toBe('MZ');
+    });
+    it('uses time + intensity units as TIC', () => {
+      expect((0, _lcmsCategory.inferLcMsKind)({
+        xUnit: 'Minutes',
+        yUnit: 'Intensity'
+      }, {})).toBe('TIC');
+    });
+    it('uses m/z axis as MZ', () => {
+      expect((0, _lcmsCategory.inferLcMsKind)({
+        xUnit: 'm/z'
+      }, {})).toBe('MZ');
+    });
+    it('defaults to SPECTRUM when nothing matches', () => {
+      expect((0, _lcmsCategory.inferLcMsKind)({}, {})).toBe('SPECTRUM');
+    });
+  });
+  describe('inferLcMsCategory', () => {
+    it('returns existing csCategory when present', () => {
+      expect((0, _lcmsCategory.inferLcMsCategory)({
+        csCategory: 'CUSTOM LABEL'
+      }, {})).toBe('CUSTOM LABEL');
+    });
+    it('builds TIC / MZ + mode + SPECTRUM when not preset', () => {
+      const jcamp = {
+        info: {
+          SCAN_MODE: 'Positive'
+        }
+      };
+      const ticKind = {
+        dataType: 'MASS TIC'
+      };
+      expect((0, _lcmsCategory.inferLcMsCategory)(ticKind, jcamp)).toBe('TIC POSITIVE SPECTRUM');
+      const mzKind = {
+        dataType: 'MASS SPECTRUM'
+      };
+      expect((0, _lcmsCategory.inferLcMsCategory)(mzKind, jcamp)).toBe('MZ POSITIVE SPECTRUM');
+    });
+  });
+});