@complat/react-spectra-editor 1.3.1 → 1.3.2
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/__tests__/fixtures/cyclic_voltammetry_1.js +2 -0
- package/dist/__tests__/fixtures/dsc_jcamp.js +425 -0
- package/dist/__tests__/units/components/panel/info.test.js +2 -1
- package/dist/actions/meta.js +7 -2
- package/dist/components/cmd_bar/r01_layout.js +4 -0
- package/dist/components/cmd_bar/r05_submit_btn.js +13 -6
- package/dist/components/d3_line/line_focus.js +1 -1
- package/dist/components/d3_multi/multi_focus.js +1 -1
- package/dist/components/panel/info.js +77 -7
- package/dist/constants/action_type.js +3 -1
- package/dist/constants/list_layout.js +2 -1
- package/dist/helpers/cfg.js +1 -1
- package/dist/helpers/chem.js +23 -3
- package/dist/helpers/compass.js +1 -1
- package/dist/helpers/format.js +97 -3
- package/dist/index.js +52 -4
- package/dist/layer_init.js +11 -3
- package/dist/reducers/reducer_meta.js +14 -0
- package/dist/sagas/saga_meta.js +9 -1
- package/dist/sagas/saga_ui.js +1 -0
- package/package.json +2 -2
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@@ -718,6 +718,8 @@ $$ === CHEMSPECTRA INTEGRALS AND MULTIPLETS ===
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$$ === CHEMSPECTRA SIMULATION ===
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##$CSSIMULATIONPEAKS=
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$$ === CHEMSPECTRA CYCLIC VOLTAMMETRY ===
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##$CSSCANRATE=0.09
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##$CSSPECTRUMDIRECTION=NEGATIVE
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##$CSCYCLICVOLTAMMETRYDATA=
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(0.10003, 2.85434e-06, -1.5404, -3.07144e-06, 1.441336382491224, 1.64043, 0.380242, 1.64361e-06, 1)
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(0.10002, 2.83434e-06, -1.5504, -3.17144e-06, 1.541336382491224, 1.54043, 0.480242, 1.74361e-06, 0)
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"use strict";
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Object.defineProperty(exports, "__esModule", {
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value: true
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});
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exports.default = void 0;
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const dscJcamp = `
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##TITLE=DSC1.1_bagit
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##JCAMP-DX=5.0
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##DATA TYPE=LINK
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##BLOCKS=1
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$$ === CHEMSPECTRA SPECTRUM ORIG ===
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##TITLE=DSC1.1_bagit
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##JCAMP-DX=5.00
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##DATA TYPE=DIFFERENTIAL SCANNING CALORIMETRY
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##DATA CLASS=XYDATA
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##$CSCATEGORY=SPECTRUM
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##ORIGIN=
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##OWNER=
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##XUNITS=DEGREES CELSIUS
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##YUNITS=W/g
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##XFACTOR=1.0
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##YFACTOR=1.0
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##FIRSTX=-63.0
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##LASTX=77.0
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##MAXX=77.0
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##MAXY=0.25175
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##MINX=-63.0
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##MINY=0.11677
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##MELTINGPOINT=1.5
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##TG=6
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##NPOINTS=141
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##XYDATA= (XY..XY)
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$$ === CHEMSPECTRA INTEGRALS AND MULTIPLETS ===
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##$OBSERVEDINTEGRALS= (X Y Z)
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##$OBSERVEDMULTIPLETS=
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##$OBSERVEDMULTIPLETSPEAKS=
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$$ === CHEMSPECTRA SIMULATION ===
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##$CSSIMULATIONPEAKS=
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##END=
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$$ === CHEMSPECTRA PEAK TABLE EDIT ===
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##TITLE=DSC1.1_bagit
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##JCAMP-DX=5.00
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##DATA TYPE=DIFFERENTIAL SCANNING CALORIMETRYPEAKTABLE
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##DATA CLASS=PEAKTABLE
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##$CSCATEGORY=EDIT_PEAK
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##$CSTHRESHOLD=1.05
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##MAXX=77.0
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##MAXY=0.25175
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##MINX=-63.0
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##MINY=0.11677
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##$CSSOLVENTNAME=- - -
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##$CSSOLVENTVALUE=0
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##$CSSOLVENTX=0
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##NPOINTS=0
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##PEAKTABLE= (XY..XY)
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##END=
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$$ === CHEMSPECTRA PEAK TABLE AUTO ===
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##DATA TYPE=DIFFERENTIAL SCANNING CALORIMETRYPEAKTABLE
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##$CSCATEGORY=AUTO_PEAK
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##MAXX=77.0
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##MAXY=0.25175
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##MINX=-63.0
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##MINY=0.11677
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##NPOINTS=0
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##PEAKTABLE= (XY..XY)
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##END=
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$$ === CHEMSPECTRA ORIGINAL METADATA ===
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###TITLE= DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit
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###JCAMPDX= 5.0, 5.00, 5.00, 5.00
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###BLOCKS= 1
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###$CSCATEGORY= SPECTRUM, EDIT_PEAK, AUTO_PEAK
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###XUNITS= DEGREES CELSIUS
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###YUNITS= W/g
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###LASTX= 77.0
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###MAXX= 77.0, 77.0, 77.0
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###MAXY= 0.25175, 0.25175, 0.25175
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###MINX= -63.0, -63.0, -63.0
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###MINY= 0.11677, 0.11677, 0.11677
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###MELTINGPOINT= 1.5
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###TG= 6
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###NPOINTS= 141, 0, 0
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###$OBSERVEDINTEGRALS= (X Y Z)
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###$CSTHRESHOLD= 1.05, 1.05
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###$CSSOLVENTNAME= - - -
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###$CSSOLVENTVALUE= 0
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###$CSSOLVENTX= 0
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###TITLE= DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, DSC1.1_bagit, Spectrum
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###JCAMPDX= 5.0, 5.00, 5.00, 5.00, 5.0, 5.00, 5.00, 5.00, 5.0, 5.00, 5.00, 5.00, 5.0, 5.00, 5.00, 5.00, 5.0, 5.00, 5.00, 5.00, 5.0, 5.00, 5.00, 5.00, 5.0, 5.00, 5.00, 5.00, 5.0, 5.00, 5.00, 5.00, 5.0, 5.00, 5.00, 5.00, 5.00
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###BLOCKS= 1, 1, 1, 1, 1, 1, 1, 1, 1
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###$CSCATEGORY= SPECTRUM, EDIT_PEAK, AUTO_PEAK, SPECTRUM, EDIT_PEAK, AUTO_PEAK, SPECTRUM, EDIT_PEAK, AUTO_PEAK, SPECTRUM, EDIT_PEAK, AUTO_PEAK, SPECTRUM, EDIT_PEAK, AUTO_PEAK, SPECTRUM, EDIT_PEAK, AUTO_PEAK, SPECTRUM, EDIT_PEAK, AUTO_PEAK, SPECTRUM, EDIT_PEAK, AUTO_PEAK, SPECTRUM, EDIT_PEAK, AUTO_PEAK
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###XUNITS= DEGREES CELSIUS, DEGREES CELSIUS, DEGREES CELSIUS, DEGREES CELSIUS, DEGREES CELSIUS, DEGREES CELSIUS, DEGREES CELSIUS, DEGREES CELSIUS, DEGREES CELSIUS, DEGREES CELSIUS, DEGREES CELSIUS
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###YUNITS= W/g, W/g, W/g, W/g, W/g, W/g, W/g, W/g, W/g, W/g, W/g
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###LASTX= 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.00000
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###MAXX= 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0, 77.0
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###MAXY= 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175, 0.25175
|
|
251
|
+
###MINX= -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0, -63.0
|
|
252
|
+
###MINY= 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677, 0.11677
|
|
253
|
+
###NPOINTS= 141, 0, 0, 141, 0, 0, 141, 0, 0, 141, 0, 0, 141, 0, 0, 141, 0, 0, 141, 0, 0, 141, 0, 0, 141, 0, 0, 141
|
|
254
|
+
###$OBSERVEDINTEGRALS= (X Y Z), (X Y Z), (X Y Z), (X Y Z), (X Y Z), (X Y Z), (X Y Z), (X Y Z), (X Y Z)
|
|
255
|
+
###$CSTHRESHOLD= 1.05, 1.05, 1.05, 1.05, 1.05, 1.05, 1.05, 1.05, 1.05, 1.05, 1.05, 1.05, 1.05, 1.05, 1.05, 1.05, 1.05, 1.05
|
|
256
|
+
###$CSSOLVENTNAME= - - -, - - -, - - -, - - -, - - -, - - -, - - -
|
|
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|
+
###$CSSOLVENTVALUE= 0, 0, 0, 0, 0, 0, 0, 0, 0
|
|
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|
+
###$CSSOLVENTX= 0, 0, 0, 0, 0, 0, 0, 0, 0
|
|
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|
+
###SAMPLE= SB
|
|
260
|
+
###AMOUNT= 6,4
|
|
261
|
+
###DATE= 31.03.2022
|
|
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|
+
###TIME= 12:47:59 (UTC+2)
|
|
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|
+
###REFERENCE= -----
|
|
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|
+
###REFERENCEMASS= 0.0
|
|
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|
+
###TEMPCAL= 14-03-2022
|
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|
+
###SENSFILE= 14-03-2022
|
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|
+
###SEGMENTS= 4/4
|
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|
+
###BRAND= NETZSCH
|
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|
+
###INSTRUMENT= DSC 214
|
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|
+
###CRUCIBLE= Concavus Al, pierced lid
|
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+
###ATMOSPHERE= NITROGEN,250,0 ml/min
|
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|
+
###RANGE= 5.0
|
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|
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###TEMPERATURE= -80C/10,0(K/min)/200C
|
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|
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###OPERATOR= SB
|
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|
+
###XYPOINTS= (XY..XY)
|
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|
+
-63.00000, 0.11677
|
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|
+
-62.00000, 0.11735
|
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|
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-61.00000, 0.11846
|
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-60.00000, 0.11883
|
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|
+
-59.00000, 0.12039
|
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-58.00000, 0.12119
|
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|
+
-57.00000, 0.12283
|
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|
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-56.00000, 0.12307
|
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|
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-55.00000, 0.12475
|
|
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|
+
-54.00000, 0.12572
|
|
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|
+
-53.00000, 0.12679
|
|
287
|
+
-52.00000, 0.12734
|
|
288
|
+
-51.00000, 0.12816
|
|
289
|
+
-50.00000, 0.12912
|
|
290
|
+
-49.00000, 0.13037
|
|
291
|
+
-48.00000, 0.13143
|
|
292
|
+
-47.00000, 0.13223
|
|
293
|
+
-46.00000, 0.13300
|
|
294
|
+
-45.00000, 0.13489
|
|
295
|
+
-44.00000, 0.13631
|
|
296
|
+
-43.00000, 0.13762
|
|
297
|
+
-42.00000, 0.13922
|
|
298
|
+
-41.00000, 0.14115
|
|
299
|
+
-40.00000, 0.14282
|
|
300
|
+
-39.00000, 0.14512
|
|
301
|
+
-38.00000, 0.14791
|
|
302
|
+
-37.00000, 0.15185
|
|
303
|
+
-36.00000, 0.15621
|
|
304
|
+
-35.00000, 0.16347
|
|
305
|
+
-34.00000, 0.17107
|
|
306
|
+
-33.00000, 0.18100
|
|
307
|
+
-32.00000, 0.19060
|
|
308
|
+
-31.00000, 0.19701
|
|
309
|
+
-30.00000, 0.19835
|
|
310
|
+
-29.00000, 0.19769
|
|
311
|
+
-28.00000, 0.19625
|
|
312
|
+
-27.00000, 0.19572
|
|
313
|
+
-26.00000, 0.19538
|
|
314
|
+
-25.00000, 0.19507
|
|
315
|
+
-24.00000, 0.19475
|
|
316
|
+
-23.00000, 0.19590
|
|
317
|
+
-22.00000, 0.19594
|
|
318
|
+
-21.00000, 0.19629
|
|
319
|
+
-20.00000, 0.19673
|
|
320
|
+
-19.00000, 0.19782
|
|
321
|
+
-18.00000, 0.19831
|
|
322
|
+
-17.00000, 0.19894
|
|
323
|
+
-16.00000, 0.19921
|
|
324
|
+
-15.00000, 0.20047
|
|
325
|
+
-14.00000, 0.20127
|
|
326
|
+
-13.00000, 0.20227
|
|
327
|
+
-12.00000, 0.20231
|
|
328
|
+
-11.00000, 0.20364
|
|
329
|
+
-10.00000, 0.20473
|
|
330
|
+
-9.00000, 0.20614
|
|
331
|
+
-8.00000, 0.20717
|
|
332
|
+
-7.00000, 0.20811
|
|
333
|
+
-6.00000, 0.20812
|
|
334
|
+
-5.00000, 0.20888
|
|
335
|
+
-4.00000, 0.20940
|
|
336
|
+
-3.00000, 0.20991
|
|
337
|
+
-2.00000, 0.21070
|
|
338
|
+
-1.00000, 0.21024
|
|
339
|
+
0.00000, 0.21301
|
|
340
|
+
1.00000, 0.21343
|
|
341
|
+
2.00000, 0.21476
|
|
342
|
+
3.00000, 0.21539
|
|
343
|
+
4.00000, 0.21575
|
|
344
|
+
5.00000, 0.21741
|
|
345
|
+
6.00000, 0.21804
|
|
346
|
+
7.00000, 0.21857
|
|
347
|
+
8.00000, 0.21968
|
|
348
|
+
9.00000, 0.22042
|
|
349
|
+
10.00000, 0.22132
|
|
350
|
+
11.00000, 0.22190
|
|
351
|
+
12.00000, 0.22323
|
|
352
|
+
13.00000, 0.22292
|
|
353
|
+
14.00000, 0.22380
|
|
354
|
+
15.00000, 0.22403
|
|
355
|
+
16.00000, 0.22516
|
|
356
|
+
17.00000, 0.22501
|
|
357
|
+
18.00000, 0.22537
|
|
358
|
+
19.00000, 0.22724
|
|
359
|
+
20.00000, 0.22789
|
|
360
|
+
21.00000, 0.22903
|
|
361
|
+
22.00000, 0.22874
|
|
362
|
+
23.00000, 0.22968
|
|
363
|
+
24.00000, 0.23052
|
|
364
|
+
25.00000, 0.23125
|
|
365
|
+
26.00000, 0.23222
|
|
366
|
+
27.00000, 0.23264
|
|
367
|
+
28.00000, 0.23352
|
|
368
|
+
29.00000, 0.23290
|
|
369
|
+
30.00000, 0.23468
|
|
370
|
+
31.00000, 0.23594
|
|
371
|
+
32.00000, 0.23694
|
|
372
|
+
33.00000, 0.23795
|
|
373
|
+
34.00000, 0.23884
|
|
374
|
+
35.00000, 0.23874
|
|
375
|
+
36.00000, 0.23880
|
|
376
|
+
37.00000, 0.23787
|
|
377
|
+
38.00000, 0.23632
|
|
378
|
+
39.00000, 0.23466
|
|
379
|
+
40.00000, 0.23410
|
|
380
|
+
41.00000, 0.23385
|
|
381
|
+
42.00000, 0.23285
|
|
382
|
+
43.00000, 0.23268
|
|
383
|
+
44.00000, 0.23306
|
|
384
|
+
45.00000, 0.23314
|
|
385
|
+
46.00000, 0.23343
|
|
386
|
+
47.00000, 0.23341
|
|
387
|
+
48.00000, 0.23417
|
|
388
|
+
49.00000, 0.23427
|
|
389
|
+
50.00000, 0.23450
|
|
390
|
+
51.00000, 0.23501
|
|
391
|
+
52.00000, 0.23577
|
|
392
|
+
53.00000, 0.23657
|
|
393
|
+
54.00000, 0.23737
|
|
394
|
+
55.00000, 0.23798
|
|
395
|
+
56.00000, 0.23837
|
|
396
|
+
57.00000, 0.23914
|
|
397
|
+
58.00000, 0.23969
|
|
398
|
+
59.00000, 0.24067
|
|
399
|
+
60.00000, 0.24087
|
|
400
|
+
61.00000, 0.24185
|
|
401
|
+
62.00000, 0.24243
|
|
402
|
+
63.00000, 0.24258
|
|
403
|
+
64.00000, 0.24378
|
|
404
|
+
65.00000, 0.24441
|
|
405
|
+
66.00000, 0.24479
|
|
406
|
+
67.00000, 0.24473
|
|
407
|
+
68.00000, 0.24596
|
|
408
|
+
69.00000, 0.24651
|
|
409
|
+
70.00000, 0.24716
|
|
410
|
+
71.00000, 0.24820
|
|
411
|
+
72.00000, 0.24848
|
|
412
|
+
73.00000, 0.24912
|
|
413
|
+
74.00000, 0.25051
|
|
414
|
+
75.00000, 0.25049
|
|
415
|
+
76.00000, 0.25090
|
|
416
|
+
77.00000, 0.25175
|
|
417
|
+
|
|
418
|
+
|
|
419
|
+
##END=
|
|
420
|
+
|
|
421
|
+
|
|
422
|
+
|
|
423
|
+
|
|
424
|
+
`;
|
|
425
|
+
var _default = exports.default = dscJcamp;
|
package/dist/actions/meta.js
CHANGED
|
@@ -3,10 +3,15 @@
|
|
|
3
3
|
Object.defineProperty(exports, "__esModule", {
|
|
4
4
|
value: true
|
|
5
5
|
});
|
|
6
|
-
exports.updateMetaPeaks = void 0;
|
|
6
|
+
exports.updateMetaPeaks = exports.updateDSCMetaData = void 0;
|
|
7
7
|
var _action_type = require("../constants/action_type");
|
|
8
8
|
const updateMetaPeaks = payload => ({
|
|
9
9
|
type: _action_type.META.UPDATE_PEAKS,
|
|
10
10
|
payload
|
|
11
11
|
});
|
|
12
|
-
exports.updateMetaPeaks = updateMetaPeaks;
|
|
12
|
+
exports.updateMetaPeaks = updateMetaPeaks;
|
|
13
|
+
const updateDSCMetaData = payload => ({
|
|
14
|
+
type: _action_type.META.UPDATE_META_DATA,
|
|
15
|
+
payload
|
|
16
|
+
});
|
|
17
|
+
exports.updateDSCMetaData = updateDSCMetaData;
|
|
@@ -108,6 +108,10 @@ const layoutSelect = (classes, layoutSt, updateLayoutAct) => {
|
|
|
108
108
|
}, /*#__PURE__*/_react.default.createElement("span", {
|
|
109
109
|
className: (0, _classnames.default)(classes.txtOpt, 'option-sv-bar-layout')
|
|
110
110
|
}, "TGA (THERMOGRAVIMETRIC ANALYSIS)")), /*#__PURE__*/_react.default.createElement(_material.MenuItem, {
|
|
111
|
+
value: _list_layout.LIST_LAYOUT.DSC
|
|
112
|
+
}, /*#__PURE__*/_react.default.createElement("span", {
|
|
113
|
+
className: (0, _classnames.default)(classes.txtOpt, 'option-sv-bar-layout')
|
|
114
|
+
}, "DSC (DIFFERENTIAL SCANNING CALORIMETRY)")), /*#__PURE__*/_react.default.createElement(_material.MenuItem, {
|
|
111
115
|
value: _list_layout.LIST_LAYOUT.XRD
|
|
112
116
|
}, /*#__PURE__*/_react.default.createElement("span", {
|
|
113
117
|
className: (0, _classnames.default)(classes.txtOpt, 'option-sv-bar-layout')
|
|
@@ -21,7 +21,7 @@ react/function-component-definition, function-call-argument-newline,
|
|
|
21
21
|
react/require-default-props */
|
|
22
22
|
|
|
23
23
|
const styles = () => Object.assign({}, _common.commonStyle);
|
|
24
|
-
const onClickCb = (operation, peaksEdit, isAscend, isIntensity, scan, thres, layoutSt, shiftSt, analysis, decimalSt, integrationSt, multiplicitySt, allIntegrationSt, aucValues, waveLengthSt, cyclicvoltaSt, curveSt, axesUnitsSt, detectorSt) => () => {
|
|
24
|
+
const onClickCb = (operation, peaksEdit, isAscend, isIntensity, scan, thres, layoutSt, shiftSt, analysis, decimalSt, integrationSt, multiplicitySt, allIntegrationSt, aucValues, waveLengthSt, cyclicvoltaSt, curveSt, axesUnitsSt, detectorSt, dscMetaData) => () => {
|
|
25
25
|
operation({
|
|
26
26
|
peaks: peaksEdit,
|
|
27
27
|
layout: layoutSt,
|
|
@@ -40,7 +40,8 @@ const onClickCb = (operation, peaksEdit, isAscend, isIntensity, scan, thres, lay
|
|
|
40
40
|
cyclicvoltaSt,
|
|
41
41
|
curveSt,
|
|
42
42
|
axesUnitsSt,
|
|
43
|
-
detectorSt
|
|
43
|
+
detectorSt,
|
|
44
|
+
dscMetaData
|
|
44
45
|
});
|
|
45
46
|
};
|
|
46
47
|
const BtnSubmit = _ref => {
|
|
@@ -64,13 +65,17 @@ const BtnSubmit = _ref => {
|
|
|
64
65
|
cyclicvoltaSt,
|
|
65
66
|
curveSt,
|
|
66
67
|
axesUnitsSt,
|
|
67
|
-
detectorSt
|
|
68
|
+
detectorSt,
|
|
69
|
+
metaSt
|
|
68
70
|
} = _ref;
|
|
69
71
|
const peaksEdit = (0, _extractPeaksEdit.extractPeaksEdit)(feature, editPeakSt, thresSt, shiftSt, layoutSt);
|
|
70
72
|
// const disBtn = peaksEdit.length === 0 || statusSt.btnSubmit || disabled;
|
|
71
73
|
const scan = (0, _chem.Convert2Scan)(feature, scanSt);
|
|
72
74
|
const thres = (0, _chem.Convert2Thres)(feature, thresSt);
|
|
73
75
|
const aucValues = (0, _extractPeaksEdit.extractAreaUnderCurve)(allIntegrationSt, integrationSt, layoutSt);
|
|
76
|
+
const {
|
|
77
|
+
dscMetaData
|
|
78
|
+
} = metaSt;
|
|
74
79
|
if (!operation) return null;
|
|
75
80
|
return /*#__PURE__*/_react.default.createElement(_Tooltip.default, {
|
|
76
81
|
title: /*#__PURE__*/_react.default.createElement("span", {
|
|
@@ -79,7 +84,7 @@ const BtnSubmit = _ref => {
|
|
|
79
84
|
}, /*#__PURE__*/_react.default.createElement(_common.MuButton, {
|
|
80
85
|
className: (0, _classnames.default)('btn-sv-bar-submit'),
|
|
81
86
|
color: "primary",
|
|
82
|
-
onClick: onClickCb(operation.value, peaksEdit, isAscend, isIntensity, scan, thres, layoutSt, shiftSt, forecastSt.predictions, decimalSt, integrationSt, multiplicitySt, allIntegrationSt, aucValues, waveLengthSt, cyclicvoltaSt, curveSt, axesUnitsSt, detectorSt)
|
|
87
|
+
onClick: onClickCb(operation.value, peaksEdit, isAscend, isIntensity, scan, thres, layoutSt, shiftSt, forecastSt.predictions, decimalSt, integrationSt, multiplicitySt, allIntegrationSt, aucValues, waveLengthSt, cyclicvoltaSt, curveSt, axesUnitsSt, detectorSt, dscMetaData)
|
|
83
88
|
}, /*#__PURE__*/_react.default.createElement(_PlayCircleOutline.default, {
|
|
84
89
|
className: classes.icon
|
|
85
90
|
})));
|
|
@@ -101,7 +106,8 @@ const mapStateToProps = (state, props) => (
|
|
|
101
106
|
cyclicvoltaSt: state.cyclicvolta,
|
|
102
107
|
curveSt: state.curve,
|
|
103
108
|
axesUnitsSt: state.axesUnits,
|
|
104
|
-
detectorSt: state.detector
|
|
109
|
+
detectorSt: state.detector,
|
|
110
|
+
metaSt: state.meta
|
|
105
111
|
});
|
|
106
112
|
const mapDispatchToProps = dispatch => (0, _redux.bindActionCreators)({}, dispatch);
|
|
107
113
|
BtnSubmit.propTypes = {
|
|
@@ -124,6 +130,7 @@ BtnSubmit.propTypes = {
|
|
|
124
130
|
cyclicvoltaSt: _propTypes.default.object.isRequired,
|
|
125
131
|
curveSt: _propTypes.default.object,
|
|
126
132
|
axesUnitsSt: _propTypes.default.object.isRequired,
|
|
127
|
-
detectorSt: _propTypes.default.object.isRequired
|
|
133
|
+
detectorSt: _propTypes.default.object.isRequired,
|
|
134
|
+
metaSt: _propTypes.default.object.isRequired
|
|
128
135
|
};
|
|
129
136
|
var _default = exports.default = (0, _redux.compose)((0, _reactRedux.connect)(mapStateToProps, mapDispatchToProps), (0, _styles.withStyles)(styles))(BtnSubmit);
|
|
@@ -596,7 +596,7 @@ class LineFocus {
|
|
|
596
596
|
return null;
|
|
597
597
|
}
|
|
598
598
|
reverseXAxis(layoutSt) {
|
|
599
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return [_list_layout.LIST_LAYOUT.UVVIS, _list_layout.LIST_LAYOUT.HPLC_UVVIS, _list_layout.LIST_LAYOUT.TGA, _list_layout.LIST_LAYOUT.XRD, _list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY, _list_layout.LIST_LAYOUT.CDS, _list_layout.LIST_LAYOUT.DLS_ACF, _list_layout.LIST_LAYOUT.SEC, _list_layout.LIST_LAYOUT.EMISSIONS, _list_layout.LIST_LAYOUT.DLS_INTENSITY].indexOf(layoutSt) < 0;
|
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return [_list_layout.LIST_LAYOUT.UVVIS, _list_layout.LIST_LAYOUT.HPLC_UVVIS, _list_layout.LIST_LAYOUT.TGA, _list_layout.LIST_LAYOUT.DSC, _list_layout.LIST_LAYOUT.XRD, _list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY, _list_layout.LIST_LAYOUT.CDS, _list_layout.LIST_LAYOUT.DLS_ACF, _list_layout.LIST_LAYOUT.SEC, _list_layout.LIST_LAYOUT.EMISSIONS, _list_layout.LIST_LAYOUT.DLS_INTENSITY].indexOf(layoutSt) < 0;
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ccp.enter().append('path').attr('d', lineSymbol).attr('class', 'enter-ref').attr('fill', 'green').attr('fill-opacity', 0.8).merge(ccp).attr('transform', d => `translate(${xt(d.x)}, ${yt(d.y)})`);
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return [_list_layout.LIST_LAYOUT.UVVIS, _list_layout.LIST_LAYOUT.HPLC_UVVIS, _list_layout.LIST_LAYOUT.TGA, _list_layout.LIST_LAYOUT.XRD, _list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY, _list_layout.LIST_LAYOUT.CDS, _list_layout.LIST_LAYOUT.SEC, _list_layout.LIST_LAYOUT.AIF].indexOf(layoutSt) < 0;
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return [_list_layout.LIST_LAYOUT.UVVIS, _list_layout.LIST_LAYOUT.HPLC_UVVIS, _list_layout.LIST_LAYOUT.TGA, _list_layout.LIST_LAYOUT.DSC, _list_layout.LIST_LAYOUT.XRD, _list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY, _list_layout.LIST_LAYOUT.CDS, _list_layout.LIST_LAYOUT.SEC, _list_layout.LIST_LAYOUT.AIF].indexOf(layoutSt) < 0;
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}, "Melting Point: "), /*#__PURE__*/_react.default.createElement("input", {
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title,
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@@ -189,6 +246,9 @@ const InfoPanel = _ref2 => {
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|
solventName,
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secData
|
|
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|
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const {
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} = metaSt;
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const {
|
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|
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|
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|
|
@@ -274,7 +334,12 @@ const InfoPanel = _ref2 => {
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|
className: (0, _classnames.default)(classes.tTxt, classes.tHead, 'txt-sv-panel-txt')
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}, "Area under curve (AUC):"), /*#__PURE__*/_react.default.createElement("br", null), /*#__PURE__*/_react.default.createElement("span", {
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className: (0, _classnames.default)(classes.tTxt, classes.tTxtSim, 'txt-sv-panel-txt')
|
|
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|
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}, aucValue(integration))) : null
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|
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}, aucValue(integration))) : null, /*#__PURE__*/_react.default.createElement(DSCData, {
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layout: layoutSt,
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dscMetaData: dscMetaData,
|
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updateAction: updateDSCMetaDataAct
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})), !_format.default.isCyclicVoltaLayout(layoutSt) ? /*#__PURE__*/_react.default.createElement(_reactQuill.default, {
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|
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|
|
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|
|
@@ -297,9 +362,12 @@ const mapStateToProps = (state, props) => (
|
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simulationSt: state.simulation,
|
|
298
363
|
shiftSt: state.shift,
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curveSt: state.curve,
|
|
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|
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detectorSt: state.detector
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|
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|
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detectorSt: state.detector,
|
|
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metaSt: state.meta
|
|
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|
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|
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|
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const mapDispatchToProps = dispatch => (0, _redux.bindActionCreators)({
|
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const mapDispatchToProps = dispatch => (0, _redux.bindActionCreators)({
|
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|
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updateDSCMetaDataAct: _meta.updateDSCMetaData
|
|
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|
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}, dispatch);
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InfoPanel.propTypes = {
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expand: _propTypes.default.bool.isRequired,
|
|
@@ -316,7 +384,9 @@ InfoPanel.propTypes = {
|
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316
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canChangeDescription: _propTypes.default.bool.isRequired,
|
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317
385
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onDescriptionChanged: _propTypes.default.func,
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theoryMass: _propTypes.default.string,
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detectorSt: _propTypes.default.object.isRequired
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|
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|
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detectorSt: _propTypes.default.object.isRequired,
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metaSt: _propTypes.default.object.isRequired,
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updateDSCMetaDataAct: _propTypes.default.func.isRequired
|
|
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|
};
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|
321
391
|
var _default = exports.default = (0, _reactRedux.connect)(
|
|
322
392
|
// eslint-disable-line
|
|
@@ -106,7 +106,9 @@ const MULTIPLICITY = exports.MULTIPLICITY = {
|
|
|
106
106
|
};
|
|
107
107
|
const META = exports.META = {
|
|
108
108
|
UPDATE_PEAKS: 'META_UPDATE_PEAKS',
|
|
109
|
-
UPDATE_PEAKS_RDC: 'META_UPDATE_PEAKS_RDC'
|
|
109
|
+
UPDATE_PEAKS_RDC: 'META_UPDATE_PEAKS_RDC',
|
|
110
|
+
UPDATE_META_DATA: 'UPDATE_META_DATA',
|
|
111
|
+
UPDATE_META_DATA_RDC: 'UPDATE_META_DATA_RDC'
|
|
110
112
|
};
|
|
111
113
|
const JCAMP = exports.JCAMP = {
|
|
112
114
|
ADD_OTHERS: 'JCAMP_ADD_OTHERS',
|
package/dist/helpers/cfg.js
CHANGED
|
@@ -6,7 +6,7 @@ Object.defineProperty(exports, "__esModule", {
|
|
|
6
6
|
});
|
|
7
7
|
exports.default = void 0;
|
|
8
8
|
var _format = _interopRequireDefault(require("./format"));
|
|
9
|
-
const btnCmdAnaViewer = layoutSt => _format.default.isMsLayout(layoutSt) || _format.default.isRamanLayout(layoutSt) || _format.default.is19FLayout(layoutSt) || _format.default.isUvVisLayout(layoutSt) || _format.default.isHplcUvVisLayout(layoutSt) || _format.default.isTGALayout(layoutSt) || _format.default.isXRDLayout(layoutSt) || _format.default.is31PLayout(layoutSt) || _format.default.is15NLayout(layoutSt) || _format.default.is29SiLayout(layoutSt) || _format.default.isCyclicVoltaLayout(layoutSt) || _format.default.isCDSLayout(layoutSt) || _format.default.isSECLayout(layoutSt);
|
|
9
|
+
const btnCmdAnaViewer = layoutSt => _format.default.isMsLayout(layoutSt) || _format.default.isRamanLayout(layoutSt) || _format.default.is19FLayout(layoutSt) || _format.default.isUvVisLayout(layoutSt) || _format.default.isHplcUvVisLayout(layoutSt) || _format.default.isTGALayout(layoutSt) || _format.default.isDSCLayout(layoutSt) || _format.default.isXRDLayout(layoutSt) || _format.default.is31PLayout(layoutSt) || _format.default.is15NLayout(layoutSt) || _format.default.is29SiLayout(layoutSt) || _format.default.isCyclicVoltaLayout(layoutSt) || _format.default.isCDSLayout(layoutSt) || _format.default.isSECLayout(layoutSt);
|
|
10
10
|
const hideCmdAnaViewer = () => false;
|
|
11
11
|
const btnCmdAddPeak = layoutSt => _format.default.isMsLayout(layoutSt);
|
|
12
12
|
const btnCmdRmPeak = layoutSt => _format.default.isMsLayout(layoutSt);
|
package/dist/helpers/chem.js
CHANGED
|
@@ -350,6 +350,9 @@ const readLayout = jcamp => {
|
|
|
350
350
|
if (dataType.includes('THERMOGRAVIMETRIC ANALYSIS')) {
|
|
351
351
|
return _list_layout.LIST_LAYOUT.TGA;
|
|
352
352
|
}
|
|
353
|
+
if (dataType.includes('DIFFERENTIAL SCANNING CALORIMETRY')) {
|
|
354
|
+
return _list_layout.LIST_LAYOUT.DSC;
|
|
355
|
+
}
|
|
353
356
|
if (dataType.includes('X-RAY DIFFRACTION')) {
|
|
354
357
|
return _list_layout.LIST_LAYOUT.XRD;
|
|
355
358
|
}
|
|
@@ -514,7 +517,8 @@ const buildPeakFeature = function (jcamp, layout, peakUp, s, thresRef) {
|
|
|
514
517
|
solventName: info['.SOLVENTNAME'],
|
|
515
518
|
upperThres,
|
|
516
519
|
lowerThres,
|
|
517
|
-
volammetryData: extractVoltammetryData(jcamp)
|
|
520
|
+
volammetryData: extractVoltammetryData(jcamp),
|
|
521
|
+
scanRate: +info.$CSSCANRATE || 0.1
|
|
518
522
|
}, s);
|
|
519
523
|
};
|
|
520
524
|
const maxArray = arr => {
|
|
@@ -683,6 +687,7 @@ const extrFeaturesNi = (jcamp, layout, peakUp, spectra) => {
|
|
|
683
687
|
nfs.simulation = buildSimFeature(jcamp);
|
|
684
688
|
return nfs;
|
|
685
689
|
}
|
|
690
|
+
|
|
686
691
|
// workaround for legacy design
|
|
687
692
|
const features = jcamp.spectra.map(s => {
|
|
688
693
|
const thresRef = calcThresRef(s, peakUp);
|
|
@@ -768,7 +773,6 @@ const extrFeaturesCylicVolta = (jcamp, layout, peakUp) => {
|
|
|
768
773
|
mw: MW
|
|
769
774
|
};
|
|
770
775
|
}
|
|
771
|
-
// const detector = Format.isSECLayout(layout) && jcamp.info.$DETECTOR ? jcamp.info.$DETECTOR : '';
|
|
772
776
|
return Object.assign({}, base, cpo, bnd, {
|
|
773
777
|
detector,
|
|
774
778
|
secData
|
|
@@ -818,7 +822,7 @@ const extractTemperature = jcamp => {
|
|
|
818
822
|
const ExtractJcamp = source => {
|
|
819
823
|
const jcamp = _jcampconverter.default.convert(source, {
|
|
820
824
|
xy: true,
|
|
821
|
-
keepRecordsRegExp: /(\$CSTHRESHOLD|\$CSSCANAUTOTARGET|\$CSSCANEDITTARGET|\$CSSCANCOUNT|\$CSSOLVENTNAME|\$CSSOLVENTVALUE|\$CSSOLVENTX|\$CSCATEGORY|\$CSITAREA|\$CSITFACTOR|\$OBSERVEDINTEGRALS|\$OBSERVEDMULTIPLETS|\$OBSERVEDMULTIPLETSPEAKS|\.SOLVENTNAME|\.OBSERVEFREQUENCY|\$CSSIMULATIONPEAKS|\$CSUPPERTHRESHOLD|\$CSLOWERTHRESHOLD|\$CSCYCLICVOLTAMMETRYDATA|UNITS|SYMBOL|CSAUTOMETADATA|\$DETECTOR|MN|MW|D|MP)/ // eslint-disable-line
|
|
825
|
+
keepRecordsRegExp: /(\$CSTHRESHOLD|\$CSSCANAUTOTARGET|\$CSSCANEDITTARGET|\$CSSCANCOUNT|\$CSSOLVENTNAME|\$CSSOLVENTVALUE|\$CSSOLVENTX|\$CSCATEGORY|\$CSITAREA|\$CSITFACTOR|\$OBSERVEDINTEGRALS|\$OBSERVEDMULTIPLETS|\$OBSERVEDMULTIPLETSPEAKS|\.SOLVENTNAME|\.OBSERVEFREQUENCY|\$CSSIMULATIONPEAKS|\$CSUPPERTHRESHOLD|\$CSLOWERTHRESHOLD|\$CSCYCLICVOLTAMMETRYDATA|UNITS|SYMBOL|CSAUTOMETADATA|\$DETECTOR|MN|MW|D|MP|MELTINGPOINT|TG|\$CSSCANRATE|\$CSSPECTRUMDIRECTION)/ // eslint-disable-line
|
|
822
826
|
});
|
|
823
827
|
const layout = readLayout(jcamp);
|
|
824
828
|
const peakUp = !_format.default.isIrLayout(layout);
|
|
@@ -839,6 +843,22 @@ const ExtractJcamp = source => {
|
|
|
839
843
|
features = extrFeaturesCylicVolta(jcamp, layout, peakUp);
|
|
840
844
|
} else {
|
|
841
845
|
features = extrFeaturesNi(jcamp, layout, peakUp, spectra);
|
|
846
|
+
if (_format.default.isDSCLayout(layout)) {
|
|
847
|
+
const {
|
|
848
|
+
info
|
|
849
|
+
} = jcamp;
|
|
850
|
+
const {
|
|
851
|
+
MELTINGPOINT,
|
|
852
|
+
TG
|
|
853
|
+
} = info;
|
|
854
|
+
const dscMetaData = {
|
|
855
|
+
meltingPoint: MELTINGPOINT,
|
|
856
|
+
tg: TG
|
|
857
|
+
};
|
|
858
|
+
features = Object.assign({}, features, {
|
|
859
|
+
dscMetaData
|
|
860
|
+
});
|
|
861
|
+
}
|
|
842
862
|
}
|
|
843
863
|
// const features = Format.isMsLayout(layout)
|
|
844
864
|
// ? extrFeaturesMs(jcamp, layout, peakUp)
|
package/dist/helpers/compass.js
CHANGED
|
@@ -97,7 +97,7 @@ const MouseMove = (event, focus) => {
|
|
|
97
97
|
dValue = (0, _chem.Convert2DValue)(pt.x).toExponential(2);
|
|
98
98
|
}
|
|
99
99
|
focus.root.select('.cursor-txt-hz').attr('transform', `translate(${tx},${ty - 30})`).text(`2Theta: ${pt.x.toExponential(2)}, d-value: ${dValue}`);
|
|
100
|
-
} else if (_format.default.isTGALayout(layout)) {
|
|
100
|
+
} else if (_format.default.isTGALayout(layout) || _format.default.isDSCLayout(layout)) {
|
|
101
101
|
focus.root.select('.cursor-txt').attr('transform', `translate(${tx},${10})`).text(`X: ${pt.x.toFixed(3)}, Y: ${pt.y.toFixed(3)}`);
|
|
102
102
|
} else {
|
|
103
103
|
focus.root.select('.cursor-txt').attr('transform', `translate(${tx},${10})`).text(pt.x.toFixed(3));
|
package/dist/helpers/format.js
CHANGED
|
@@ -20,6 +20,7 @@ const spectraDigit = layout => {
|
|
|
20
20
|
case _list_layout.LIST_LAYOUT.UVVIS:
|
|
21
21
|
case _list_layout.LIST_LAYOUT.HPLC_UVVIS:
|
|
22
22
|
case _list_layout.LIST_LAYOUT.TGA:
|
|
23
|
+
case _list_layout.LIST_LAYOUT.DSC:
|
|
23
24
|
case _list_layout.LIST_LAYOUT.XRD:
|
|
24
25
|
case _list_layout.LIST_LAYOUT.CDS:
|
|
25
26
|
case _list_layout.LIST_LAYOUT.SEC:
|
|
@@ -110,6 +111,10 @@ const spectraOps = {
|
|
|
110
111
|
head: 'THERMOGRAVIMETRIC ANALYSIS',
|
|
111
112
|
tail: ' SECONDS'
|
|
112
113
|
},
|
|
114
|
+
[_list_layout.LIST_LAYOUT.DSC]: {
|
|
115
|
+
head: 'DIFFERENTIAL SCANNING CALORIMETRY',
|
|
116
|
+
tail: ' SECONDS'
|
|
117
|
+
},
|
|
113
118
|
[_list_layout.LIST_LAYOUT.MS]: {
|
|
114
119
|
head: 'MASS',
|
|
115
120
|
tail: ' m/z'
|
|
@@ -119,7 +124,7 @@ const spectraOps = {
|
|
|
119
124
|
tail: '.'
|
|
120
125
|
},
|
|
121
126
|
[_list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY]: {
|
|
122
|
-
head: '
|
|
127
|
+
head: 'CV',
|
|
123
128
|
tail: '.'
|
|
124
129
|
},
|
|
125
130
|
[_list_layout.LIST_LAYOUT.CDS]: {
|
|
@@ -411,7 +416,7 @@ const peaksBody = _ref => {
|
|
|
411
416
|
if (layout === _list_layout.LIST_LAYOUT.DLS_INTENSITY) {
|
|
412
417
|
return formatedDLSIntensity(ordered, maxY, decimal, isAscend, isIntensity, boundary, false);
|
|
413
418
|
}
|
|
414
|
-
if (layout === _list_layout.LIST_LAYOUT.RAMAN || layout === _list_layout.LIST_LAYOUT.TGA || layout === _list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY || layout === _list_layout.LIST_LAYOUT.CDS || layout === _list_layout.LIST_LAYOUT.SEC) {
|
|
419
|
+
if (layout === _list_layout.LIST_LAYOUT.RAMAN || layout === _list_layout.LIST_LAYOUT.TGA || layout === _list_layout.LIST_LAYOUT.DSC || layout === _list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY || layout === _list_layout.LIST_LAYOUT.CDS || layout === _list_layout.LIST_LAYOUT.SEC) {
|
|
415
420
|
return formatedEm(ordered, maxY, decimal, isAscend, isIntensity, boundary, false);
|
|
416
421
|
}
|
|
417
422
|
if (layout === _list_layout.LIST_LAYOUT.XRD) {
|
|
@@ -454,6 +459,7 @@ const isRamanLayout = layoutSt => _list_layout.LIST_LAYOUT.RAMAN === layoutSt;
|
|
|
454
459
|
const isUvVisLayout = layoutSt => _list_layout.LIST_LAYOUT.UVVIS === layoutSt;
|
|
455
460
|
const isHplcUvVisLayout = layoutSt => _list_layout.LIST_LAYOUT.HPLC_UVVIS === layoutSt;
|
|
456
461
|
const isTGALayout = layoutSt => _list_layout.LIST_LAYOUT.TGA === layoutSt;
|
|
462
|
+
const isDSCLayout = layoutSt => _list_layout.LIST_LAYOUT.DSC === layoutSt;
|
|
457
463
|
const isXRDLayout = layoutSt => _list_layout.LIST_LAYOUT.XRD === layoutSt;
|
|
458
464
|
const isCyclicVoltaLayout = layoutSt => _list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY === layoutSt;
|
|
459
465
|
const isCDSLayout = layoutSt => _list_layout.LIST_LAYOUT.CDS === layoutSt;
|
|
@@ -538,6 +544,92 @@ const strNumberFixedLength = function (number) {
|
|
|
538
544
|
|
|
539
545
|
return number.toFixed(lengthToFix);
|
|
540
546
|
};
|
|
547
|
+
const inlineNotation = function (layout, data) {
|
|
548
|
+
let sampleName = arguments.length > 2 && arguments[2] !== undefined ? arguments[2] : '';
|
|
549
|
+
let formattedString = '';
|
|
550
|
+
let quillData = [];
|
|
551
|
+
const {
|
|
552
|
+
scanRate,
|
|
553
|
+
voltaData
|
|
554
|
+
} = data;
|
|
555
|
+
switch (layout) {
|
|
556
|
+
case _list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY:
|
|
557
|
+
{
|
|
558
|
+
if (!voltaData) {
|
|
559
|
+
break;
|
|
560
|
+
}
|
|
561
|
+
let refString = '';
|
|
562
|
+
let nonRefString = '';
|
|
563
|
+
let refOps = [];
|
|
564
|
+
const nonRefOps = [];
|
|
565
|
+
const {
|
|
566
|
+
listPeaks,
|
|
567
|
+
xyData
|
|
568
|
+
} = voltaData;
|
|
569
|
+
const {
|
|
570
|
+
x
|
|
571
|
+
} = xyData;
|
|
572
|
+
listPeaks.forEach(item => {
|
|
573
|
+
const {
|
|
574
|
+
isRef,
|
|
575
|
+
e12,
|
|
576
|
+
max,
|
|
577
|
+
min
|
|
578
|
+
} = item;
|
|
579
|
+
const e12Str = e12 ? strNumberFixedLength(e12, 3) : '0';
|
|
580
|
+
const scanRateStr = scanRate ? strNumberFixedLength(scanRate, 3) : '0';
|
|
581
|
+
if (isRef) {
|
|
582
|
+
const posNegString = x[0] > x[1] ? 'neg.' : 'pos.';
|
|
583
|
+
refString = `CV (<conc. of sample> mM in <solvent> vs. Ref (Fc+/Fc) = ${e12Str} V, v = ${scanRateStr} V/s, to ${posNegString}):`;
|
|
584
|
+
refOps = [{
|
|
585
|
+
insert: 'CV (<conc. of sample> mM in <solvent> vs. Ref '
|
|
586
|
+
}, {
|
|
587
|
+
insert: '(Fc'
|
|
588
|
+
}, {
|
|
589
|
+
insert: '+',
|
|
590
|
+
attributes: {
|
|
591
|
+
script: 'super'
|
|
592
|
+
}
|
|
593
|
+
}, {
|
|
594
|
+
insert: '/Fc) '
|
|
595
|
+
}, {
|
|
596
|
+
insert: `= ${e12Str} V, v = ${scanRateStr} V/s, to ${posNegString}):`
|
|
597
|
+
}];
|
|
598
|
+
} else {
|
|
599
|
+
const delta = max && min ? strNumberFixedLength(Math.abs(max.x - min.x) * 1000, 3) : '0';
|
|
600
|
+
nonRefString += `\nE1/2 = ([${sampleName}] , ΔEp) = ${e12Str} V (${delta} mV)`;
|
|
601
|
+
const currentNoneOps = [{
|
|
602
|
+
insert: '\nE'
|
|
603
|
+
}, {
|
|
604
|
+
insert: '1/2',
|
|
605
|
+
attributes: {
|
|
606
|
+
script: 'sub'
|
|
607
|
+
}
|
|
608
|
+
}, {
|
|
609
|
+
insert: ` = ([${sampleName}] , ΔE`
|
|
610
|
+
}, {
|
|
611
|
+
insert: 'p',
|
|
612
|
+
attributes: {
|
|
613
|
+
script: 'sub'
|
|
614
|
+
}
|
|
615
|
+
}, {
|
|
616
|
+
insert: `) = ${e12Str} V (${delta} mV)`
|
|
617
|
+
}];
|
|
618
|
+
nonRefOps.push(...currentNoneOps);
|
|
619
|
+
}
|
|
620
|
+
});
|
|
621
|
+
formattedString = refString + nonRefString;
|
|
622
|
+
quillData = [...refOps, ...nonRefOps];
|
|
623
|
+
break;
|
|
624
|
+
}
|
|
625
|
+
default:
|
|
626
|
+
break;
|
|
627
|
+
}
|
|
628
|
+
return {
|
|
629
|
+
quillData,
|
|
630
|
+
formattedString
|
|
631
|
+
};
|
|
632
|
+
};
|
|
541
633
|
const Format = {
|
|
542
634
|
toPeakStr,
|
|
543
635
|
buildData,
|
|
@@ -560,6 +652,7 @@ const Format = {
|
|
|
560
652
|
isUvVisLayout,
|
|
561
653
|
isHplcUvVisLayout,
|
|
562
654
|
isTGALayout,
|
|
655
|
+
isDSCLayout,
|
|
563
656
|
isXRDLayout,
|
|
564
657
|
isCyclicVoltaLayout,
|
|
565
658
|
isCDSLayout,
|
|
@@ -579,6 +672,7 @@ const Format = {
|
|
|
579
672
|
isDLSACFLayout,
|
|
580
673
|
strNumberFixedDecimal,
|
|
581
674
|
formatedXRD,
|
|
582
|
-
strNumberFixedLength
|
|
675
|
+
strNumberFixedLength,
|
|
676
|
+
inlineNotation
|
|
583
677
|
};
|
|
584
678
|
var _default = exports.default = Format;
|
package/dist/index.js
CHANGED
|
@@ -27,6 +27,7 @@ var _uv_vis_jcamp = _interopRequireDefault(require("./__tests__/fixtures/uv_vis_
|
|
|
27
27
|
var _hplc_uvvis_jcamp = _interopRequireDefault(require("./__tests__/fixtures/hplc_uvvis_jcamp"));
|
|
28
28
|
var _hplc_uvvis_jcamp_ = _interopRequireDefault(require("./__tests__/fixtures/hplc_uvvis_jcamp_2"));
|
|
29
29
|
var _tga_jcamp = _interopRequireDefault(require("./__tests__/fixtures/tga_jcamp"));
|
|
30
|
+
var _dsc_jcamp = _interopRequireDefault(require("./__tests__/fixtures/dsc_jcamp"));
|
|
30
31
|
var _xrd_jcamp_ = _interopRequireDefault(require("./__tests__/fixtures/xrd_jcamp_1"));
|
|
31
32
|
var _xrd_jcamp_2 = _interopRequireDefault(require("./__tests__/fixtures/xrd_jcamp_2"));
|
|
32
33
|
var _cyclic_voltammetry_ = _interopRequireDefault(require("./__tests__/fixtures/cyclic_voltammetry_1"));
|
|
@@ -64,6 +65,7 @@ const compUvVisEntity = _app.FN.ExtractJcamp(_compare_uv_vis_jcamp.default);
|
|
|
64
65
|
const hplcUVVisEntity = _app.FN.ExtractJcamp(_hplc_uvvis_jcamp.default);
|
|
65
66
|
const hplcUVVisEntity2 = _app.FN.ExtractJcamp(_hplc_uvvis_jcamp_.default);
|
|
66
67
|
const tgaEntity = _app.FN.ExtractJcamp(_tga_jcamp.default);
|
|
68
|
+
const dscEntity = _app.FN.ExtractJcamp(_dsc_jcamp.default);
|
|
67
69
|
const xrdEntity1 = _app.FN.ExtractJcamp(_xrd_jcamp_.default);
|
|
68
70
|
const xrdEntity2 = _app.FN.ExtractJcamp(_xrd_jcamp_2.default);
|
|
69
71
|
const cyclicVoltaEntity1 = _app.FN.ExtractJcamp(_cyclic_voltammetry_.default);
|
|
@@ -156,6 +158,8 @@ class DemoWriteIr extends _react.default.Component {
|
|
|
156
158
|
return hplcUVVisEntity;
|
|
157
159
|
case 'tga':
|
|
158
160
|
return tgaEntity;
|
|
161
|
+
case 'dsc':
|
|
162
|
+
return dscEntity;
|
|
159
163
|
case 'xrd':
|
|
160
164
|
return xrdEntity1;
|
|
161
165
|
case 'cyclic volta':
|
|
@@ -221,6 +225,7 @@ class DemoWriteIr extends _react.default.Component {
|
|
|
221
225
|
case 'uv/vis':
|
|
222
226
|
case 'hplc uv/vis':
|
|
223
227
|
case 'tga':
|
|
228
|
+
case 'dsc':
|
|
224
229
|
case 'xrd':
|
|
225
230
|
case 'ms':
|
|
226
231
|
case 'cyclic volta':
|
|
@@ -259,7 +264,9 @@ class DemoWriteIr extends _react.default.Component {
|
|
|
259
264
|
decimal,
|
|
260
265
|
isIntensity,
|
|
261
266
|
integration,
|
|
262
|
-
waveLength
|
|
267
|
+
waveLength,
|
|
268
|
+
cyclicvoltaSt,
|
|
269
|
+
curveSt
|
|
263
270
|
} = _ref;
|
|
264
271
|
const entity = this.loadEntity();
|
|
265
272
|
const {
|
|
@@ -289,7 +296,36 @@ class DemoWriteIr extends _react.default.Component {
|
|
|
289
296
|
temperature
|
|
290
297
|
});
|
|
291
298
|
const wrapper = _app.FN.peaksWrapper(layout, shift);
|
|
292
|
-
|
|
299
|
+
let desc = this.rmDollarSign(wrapper.head) + body + wrapper.tail;
|
|
300
|
+
if (_app.FN.isCyclicVoltaLayout(layout)) {
|
|
301
|
+
const {
|
|
302
|
+
spectraList
|
|
303
|
+
} = cyclicvoltaSt;
|
|
304
|
+
const {
|
|
305
|
+
curveIdx,
|
|
306
|
+
listCurves
|
|
307
|
+
} = curveSt;
|
|
308
|
+
const selectedVolta = spectraList[curveIdx];
|
|
309
|
+
const selectedCurve = listCurves[curveIdx];
|
|
310
|
+
const {
|
|
311
|
+
feature
|
|
312
|
+
} = selectedCurve;
|
|
313
|
+
const {
|
|
314
|
+
scanRate
|
|
315
|
+
} = feature;
|
|
316
|
+
const data = {
|
|
317
|
+
scanRate,
|
|
318
|
+
voltaData: {
|
|
319
|
+
listPeaks: selectedVolta.list,
|
|
320
|
+
xyData: feature.data[0]
|
|
321
|
+
}
|
|
322
|
+
};
|
|
323
|
+
const inlineData = _app.FN.inlineNotation(layout, data);
|
|
324
|
+
const {
|
|
325
|
+
formattedString
|
|
326
|
+
} = inlineData;
|
|
327
|
+
desc = formattedString;
|
|
328
|
+
}
|
|
293
329
|
return desc;
|
|
294
330
|
}
|
|
295
331
|
formatMpy(_ref2) {
|
|
@@ -393,7 +429,9 @@ class DemoWriteIr extends _react.default.Component {
|
|
|
393
429
|
decimal,
|
|
394
430
|
isIntensity,
|
|
395
431
|
integration,
|
|
396
|
-
waveLength
|
|
432
|
+
waveLength,
|
|
433
|
+
cyclicvoltaSt,
|
|
434
|
+
curveSt
|
|
397
435
|
} = _ref4;
|
|
398
436
|
const desc = this.formatPks({
|
|
399
437
|
peaks,
|
|
@@ -403,7 +441,10 @@ class DemoWriteIr extends _react.default.Component {
|
|
|
403
441
|
decimal,
|
|
404
442
|
isIntensity,
|
|
405
443
|
integration,
|
|
406
|
-
waveLength
|
|
444
|
+
waveLength,
|
|
445
|
+
// eslint-disable-line
|
|
446
|
+
cyclicvoltaSt,
|
|
447
|
+
curveSt // eslint-disable-line
|
|
407
448
|
});
|
|
408
449
|
this.setState({
|
|
409
450
|
desc
|
|
@@ -625,6 +666,13 @@ class DemoWriteIr extends _react.default.Component {
|
|
|
625
666
|
},
|
|
626
667
|
onClick: this.onClick('tga')
|
|
627
668
|
}, "TGA"), /*#__PURE__*/_react.default.createElement(_material.Button, {
|
|
669
|
+
id: "btn-dsc",
|
|
670
|
+
variant: "contained",
|
|
671
|
+
style: {
|
|
672
|
+
margin: '0 10px 0 10px'
|
|
673
|
+
},
|
|
674
|
+
onClick: this.onClick('dsc')
|
|
675
|
+
}, "DSC"), /*#__PURE__*/_react.default.createElement(_material.Button, {
|
|
628
676
|
id: "btn-xrd",
|
|
629
677
|
variant: "contained",
|
|
630
678
|
style: {
|
package/dist/layer_init.js
CHANGED
|
@@ -61,7 +61,8 @@ class LayerInit extends _react.default.Component {
|
|
|
61
61
|
resetInitMsAct,
|
|
62
62
|
resetInitNmrAct,
|
|
63
63
|
resetInitCommonWithIntergationAct,
|
|
64
|
-
resetDetectorAct
|
|
64
|
+
resetDetectorAct,
|
|
65
|
+
updateDSCMetaDataAct
|
|
65
66
|
} = this.props;
|
|
66
67
|
resetInitCommonAct();
|
|
67
68
|
resetDetectorAct();
|
|
@@ -96,6 +97,11 @@ class LayerInit extends _react.default.Component {
|
|
|
96
97
|
resetInitCommonWithIntergationAct({
|
|
97
98
|
integration
|
|
98
99
|
});
|
|
100
|
+
} else if (_format.default.isDSCLayout(layout)) {
|
|
101
|
+
const {
|
|
102
|
+
dscMetaData
|
|
103
|
+
} = features;
|
|
104
|
+
updateDSCMetaDataAct(dscMetaData);
|
|
99
105
|
}
|
|
100
106
|
}
|
|
101
107
|
initReducer() {
|
|
@@ -191,7 +197,8 @@ const mapDispatchToProps = dispatch => (0, _redux.bindActionCreators)({
|
|
|
191
197
|
updateOperationAct: _submit.updateOperation,
|
|
192
198
|
updateMetaPeaksAct: _meta.updateMetaPeaks,
|
|
193
199
|
addOthersAct: _jcamp.addOthers,
|
|
194
|
-
setAllCurvesAct: _curve.setAllCurves
|
|
200
|
+
setAllCurvesAct: _curve.setAllCurves,
|
|
201
|
+
updateDSCMetaDataAct: _meta.updateDSCMetaData
|
|
195
202
|
}, dispatch);
|
|
196
203
|
LayerInit.propTypes = {
|
|
197
204
|
entity: _propTypes.default.object.isRequired,
|
|
@@ -222,7 +229,8 @@ LayerInit.propTypes = {
|
|
|
222
229
|
setAllCurvesAct: _propTypes.default.func.isRequired,
|
|
223
230
|
userManualLink: _propTypes.default.object,
|
|
224
231
|
// eslint-disable-line
|
|
225
|
-
resetDetectorAct: _propTypes.default.func.isRequired
|
|
232
|
+
resetDetectorAct: _propTypes.default.func.isRequired,
|
|
233
|
+
updateDSCMetaDataAct: _propTypes.default.func.isRequired
|
|
226
234
|
};
|
|
227
235
|
var _default = exports.default = (0, _reactRedux.connect)(
|
|
228
236
|
// eslint-disable-line
|
|
@@ -13,14 +13,28 @@ const initialState = {
|
|
|
13
13
|
intervalR: null,
|
|
14
14
|
observeFrequency: null,
|
|
15
15
|
deltaX: null
|
|
16
|
+
},
|
|
17
|
+
dscMetaData: {
|
|
18
|
+
meltingPoint: null,
|
|
19
|
+
tg: null
|
|
16
20
|
}
|
|
17
21
|
};
|
|
22
|
+
const updateMetaData = (state, action) => {
|
|
23
|
+
const {
|
|
24
|
+
dscMetaData
|
|
25
|
+
} = action.payload;
|
|
26
|
+
return Object.assign({}, state, {
|
|
27
|
+
dscMetaData
|
|
28
|
+
});
|
|
29
|
+
};
|
|
18
30
|
const metaReducer = function () {
|
|
19
31
|
let state = arguments.length > 0 && arguments[0] !== undefined ? arguments[0] : initialState;
|
|
20
32
|
let action = arguments.length > 1 ? arguments[1] : undefined;
|
|
21
33
|
switch (action.type) {
|
|
22
34
|
case _action_type.META.UPDATE_PEAKS_RDC:
|
|
23
35
|
return Object.assign({}, state, action.payload);
|
|
36
|
+
case _action_type.META.UPDATE_META_DATA_RDC:
|
|
37
|
+
return updateMetaData(state, action);
|
|
24
38
|
default:
|
|
25
39
|
return state;
|
|
26
40
|
}
|
package/dist/sagas/saga_meta.js
CHANGED
|
@@ -32,5 +32,13 @@ function* updateMetaPeaks(action) {
|
|
|
32
32
|
}
|
|
33
33
|
});
|
|
34
34
|
}
|
|
35
|
-
|
|
35
|
+
function* updateMetaData(action) {
|
|
36
|
+
yield (0, _effects.put)({
|
|
37
|
+
type: _action_type.META.UPDATE_META_DATA_RDC,
|
|
38
|
+
payload: {
|
|
39
|
+
dscMetaData: action.payload
|
|
40
|
+
}
|
|
41
|
+
});
|
|
42
|
+
}
|
|
43
|
+
const metaSagas = [(0, _effects.takeEvery)(_action_type.META.UPDATE_PEAKS, updateMetaPeaks), (0, _effects.takeEvery)(_action_type.META.UPDATE_META_DATA, updateMetaData)];
|
|
36
44
|
var _default = exports.default = metaSagas;
|
package/dist/sagas/saga_ui.js
CHANGED
|
@@ -139,6 +139,7 @@ function* scrollUiWheel(action) {
|
|
|
139
139
|
case _list_layout.LIST_LAYOUT.UVVIS:
|
|
140
140
|
case _list_layout.LIST_LAYOUT.HPLC_UVVIS:
|
|
141
141
|
case _list_layout.LIST_LAYOUT.TGA:
|
|
142
|
+
case _list_layout.LIST_LAYOUT.DSC:
|
|
142
143
|
case _list_layout.LIST_LAYOUT.XRD:
|
|
143
144
|
default:
|
|
144
145
|
[nyeL, nyeU] = [yeL, yeL + (yeU - yeL) * scale];
|
package/package.json
CHANGED
|
@@ -1,7 +1,7 @@
|
|
|
1
1
|
{
|
|
2
2
|
"name": "@complat/react-spectra-editor",
|
|
3
|
-
"version": "1.3.
|
|
4
|
-
"description": "An editor to View and Edit Chemical Spectra data (NMR, IR
|
|
3
|
+
"version": "1.3.2",
|
|
4
|
+
"description": "An editor to View and Edit Chemical Spectra data (NMR, IR, MS, CV, UIVIS, XRD, and DSC).",
|
|
5
5
|
"repository": {
|
|
6
6
|
"type": "git",
|
|
7
7
|
"url": "https://github.com/ComPlat/react-spectra-editor"
|