jcampconverter 9.0.1 → 9.0.2
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/README.md +1 -1
- package/lib/2d/convertTo3DZ.js +3 -3
- package/lib/2d/convertTo3DZ.js.map +1 -1
- package/lib/convert.d.ts +2 -0
- package/lib/convert.d.ts.map +1 -1
- package/lib/convert.js +1 -0
- package/lib/convert.js.map +1 -1
- package/lib/parse/fastParseXYData.d.ts.map +1 -1
- package/lib/parse/fastParseXYData.js +4 -3
- package/lib/parse/fastParseXYData.js.map +1 -1
- package/lib-esm/2d/convertTo3DZ.js +3 -3
- package/lib-esm/2d/convertTo3DZ.js.map +1 -1
- package/lib-esm/convert.d.ts +2 -0
- package/lib-esm/convert.d.ts.map +1 -1
- package/lib-esm/convert.js +1 -0
- package/lib-esm/convert.js.map +1 -1
- package/lib-esm/parse/fastParseXYData.d.ts.map +1 -1
- package/lib-esm/parse/fastParseXYData.js +4 -3
- package/lib-esm/parse/fastParseXYData.js.map +1 -1
- package/package.json +9 -17
- package/src/2d/convertTo3DZ.js +3 -3
- package/src/convert.js +1 -0
- package/src/parse/fastParseXYData.js +4 -2
package/README.md
CHANGED
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@@ -16,7 +16,7 @@ Parse and convert JCAMP data
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[![build status][ci-image]][ci-url]
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[![Test coverage][codecov-image]][codecov-url]
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[![npm download][download-image]][download-url]
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-
[](https://doi.org/10.5281/zenodo.5091526)
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</h3>
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package/lib/2d/convertTo3DZ.js
CHANGED
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@@ -45,13 +45,13 @@ function convertTo3DZ(spectra) {
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}
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const median = (0, ml_array_median_1.default)(medians);
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return {
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z
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z,
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minX: Math.min(firstX, lastX),
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maxX: Math.max(firstX, lastX),
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minY: Math.min(firstY, lastY),
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maxY: Math.max(firstY, lastY),
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-
minZ
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-
maxZ
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minZ,
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maxZ,
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noise: median,
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};
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}
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"convertTo3DZ.js","sourceRoot":"","sources":["../../src/2d/convertTo3DZ.js"],"names":[],"mappings":";;;;;AAAA,sEAAwC;AAExC,SAAwB,YAAY,CAAC,OAAO;IAC1C,IAAI,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IAChC,IAAI,IAAI,GAAG,IAAI,CAAC;IAChB,IAAI,KAAK,GAAG,OAAO,CAAC,MAAM,CAAC;IAC3B,IAAI,KAAK,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,CAAC;IAErC,IAAI,CAAC,GAAG,IAAI,KAAK,CAAC,KAAK,CAAC,CAAC;IACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;QAC9B,CAAC,CAAC,CAAC,CAAC,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC;QACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;YAC9B,IAAI,KAAK,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YACpB,IAAI,KAAK,GAAG,IAAI;gBAAE,IAAI,GAAG,KAAK,CAAC;YAC/B,IAAI,KAAK,GAAG,IAAI;gBAAE,IAAI,GAAG,KAAK,CAAC;SAChC;KACF;IAED,MAAM,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IACpC,MAAM,KAAK,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,sDAAsD;IACrH,MAAM,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC;IACpC,MAAM,KAAK,GAAG,OAAO,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC,SAAS,CAAC;IAE3C,qFAAqF;IACrF,0CAA0C;IAC1C,IAAI,MAAM,GAAG,KAAK,EAAE;QAClB,KAAK,IAAI,QAAQ,IAAI,CAAC,EAAE;YACtB,QAAQ,CAAC,OAAO,EAAE,CAAC;SACpB;KACF;IACD,IAAI,MAAM,GAAG,KAAK,EAAE;QAClB,CAAC,CAAC,OAAO,EAAE,CAAC;KACb;IAED,MAAM,OAAO,GAAG,EAAE,CAAC;IACnB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACjC,MAAM,GAAG,GAAG,YAAY,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;QACpC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACnC,IAAI,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC;gBAAE,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;SAClC;QACD,OAAO,CAAC,IAAI,CAAC,IAAA,yBAAS,EAAC,GAAG,CAAC,CAAC,CAAC;KAC9B;IACD,MAAM,MAAM,GAAG,IAAA,yBAAS,EAAC,OAAO,CAAC,CAAC;IAElC,OAAO;QACL,CAAC
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{"version":3,"file":"convertTo3DZ.js","sourceRoot":"","sources":["../../src/2d/convertTo3DZ.js"],"names":[],"mappings":";;;;;AAAA,sEAAwC;AAExC,SAAwB,YAAY,CAAC,OAAO;IAC1C,IAAI,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IAChC,IAAI,IAAI,GAAG,IAAI,CAAC;IAChB,IAAI,KAAK,GAAG,OAAO,CAAC,MAAM,CAAC;IAC3B,IAAI,KAAK,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,CAAC;IAErC,IAAI,CAAC,GAAG,IAAI,KAAK,CAAC,KAAK,CAAC,CAAC;IACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;QAC9B,CAAC,CAAC,CAAC,CAAC,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC;QACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;YAC9B,IAAI,KAAK,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YACpB,IAAI,KAAK,GAAG,IAAI;gBAAE,IAAI,GAAG,KAAK,CAAC;YAC/B,IAAI,KAAK,GAAG,IAAI;gBAAE,IAAI,GAAG,KAAK,CAAC;SAChC;KACF;IAED,MAAM,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IACpC,MAAM,KAAK,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,sDAAsD;IACrH,MAAM,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC;IACpC,MAAM,KAAK,GAAG,OAAO,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC,SAAS,CAAC;IAE3C,qFAAqF;IACrF,0CAA0C;IAC1C,IAAI,MAAM,GAAG,KAAK,EAAE;QAClB,KAAK,IAAI,QAAQ,IAAI,CAAC,EAAE;YACtB,QAAQ,CAAC,OAAO,EAAE,CAAC;SACpB;KACF;IACD,IAAI,MAAM,GAAG,KAAK,EAAE;QAClB,CAAC,CAAC,OAAO,EAAE,CAAC;KACb;IAED,MAAM,OAAO,GAAG,EAAE,CAAC;IACnB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACjC,MAAM,GAAG,GAAG,YAAY,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;QACpC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACnC,IAAI,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC;gBAAE,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;SAClC;QACD,OAAO,CAAC,IAAI,CAAC,IAAA,yBAAS,EAAC,GAAG,CAAC,CAAC,CAAC;KAC9B;IACD,MAAM,MAAM,GAAG,IAAA,yBAAS,EAAC,OAAO,CAAC,CAAC;IAElC,OAAO;QACL,CAAC;QACD,IAAI,EAAE,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,KAAK,CAAC;QAC7B,IAAI,EAAE,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,KAAK,CAAC;QAC7B,IAAI,EAAE,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,KAAK,CAAC;QAC7B,IAAI,EAAE,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,KAAK,CAAC;QAC7B,IAAI;QACJ,IAAI;QACJ,KAAK,EAAE,MAAM;KACd,CAAC;AACJ,CAAC;AApDD,+BAoDC"}
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package/lib/convert.d.ts
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@@ -45,6 +45,7 @@
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* @property {Spectrum[]} spectra
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* @property {Ntuples} ntuples
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* @property {object} meta
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* @property {object} info
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* @property {object} tmp
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* @property {string} [title]
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* @property {string} [dataType]
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@@ -132,6 +133,7 @@ export type Entry = {
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spectra: Spectrum[];
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ntuples: Ntuples;
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meta: object;
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info: object;
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tmp: object;
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title?: string | undefined;
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dataType?: string | undefined;
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package/lib/convert.d.ts.map
CHANGED
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@@ -1 +1 @@
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1
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{"version":3,"file":"convert.d.ts","sourceRoot":"","sources":["../src/convert.js"],"names":[],"mappings":"AA8BA;;;;;;;;;;;;;;GAcG;AAEH;;;;;;;;;;;;;;;GAeG;AAEH;;;;;;;;;GASG;AAEH
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{"version":3,"file":"convert.d.ts","sourceRoot":"","sources":["../src/convert.js"],"names":[],"mappings":"AA8BA;;;;;;;;;;;;;;GAcG;AAEH;;;;;;;;;;;;;;;GAeG;AAEH;;;;;;;;;GASG;AAEH;;;;;;;;;;;;GAYG;AAEH;;;;;;;GAOG;AAEH;;;;;;GAMG;AAEH,+BALW,MAAM,GAAC,WAAW,GAAC,UAAU,yCAE3B,aAAa,CAmSzB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;uBAzUa,OAAO,MAAM,EAAE,GAAG,CAAC;;aAanB,QAAQ,EAAE;aACV,OAAO;UACP,MAAM;UACN,MAAM;SACN,MAAM;;;;;;;eAUL,MAAM,EAAE,GAAG,OAAO;UAClB,MAAM,EAAE;aACR,MAAM,EAAE;aACR,KAAK,EAAE"}
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package/lib/convert.js
CHANGED
package/lib/convert.js.map
CHANGED
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@@ -1 +1 @@
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1
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-
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+
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AAC,CAAC;aAC3B;iBAAM;gBACL,MAAM,CAAC,KAAK,CAAC,GAAG,KAAK,CAAC;aACvB;SACF;KACF;IAED,IAAA,mBAAS,EAAC,MAAM,EAAE,kBAAkB,EAAE,OAAO,CAAC,CAAC;IAE/C,IAAA,wBAAc,EAAC,WAAW,EAAE,MAAM,EAAE,OAAO,CAAC,CAAC;IAE7C,IAAA,mBAAS,EAAC,MAAM,EAAE,YAAY,EAAE,OAAO,CAAC,CAAC;IAEzC;;;;MAIE;IACF,MAAM,CAAC,OAAO,GAAG,SAAS,CAAC,QAAQ,CAAC;IACpC,MAAM,CAAC,OAAO,GAAG,WAAW,CAAC;IAE7B,OAAO,MAAM,CAAC;AAChB,CAAC;AAhSD,0BAgSC"}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"fastParseXYData.d.ts","sourceRoot":"","sources":["../../src/parse/fastParseXYData.js"],"names":[],"mappings":"AAAA,
|
|
1
|
+
{"version":3,"file":"fastParseXYData.d.ts","sourceRoot":"","sources":["../../src/parse/fastParseXYData.js"],"names":[],"mappings":"AAAA,yEA8KC"}
|
|
@@ -21,9 +21,8 @@ function fastParseXYData(spectrum, value) {
|
|
|
21
21
|
if (ascii === 13 || ascii === 10) {
|
|
22
22
|
endLine = true;
|
|
23
23
|
}
|
|
24
|
-
else {
|
|
25
|
-
|
|
26
|
-
break;
|
|
24
|
+
else if (endLine) {
|
|
25
|
+
break;
|
|
27
26
|
}
|
|
28
27
|
}
|
|
29
28
|
// we proceed taking the i after the first line
|
|
@@ -55,6 +54,7 @@ function fastParseXYData(spectrum, value) {
|
|
|
55
54
|
// when is it a new value ?
|
|
56
55
|
// when it is not a digit, . or comma
|
|
57
56
|
// it is a number that is either new or we continue
|
|
57
|
+
// eslint-disable-next-line no-lonely-if
|
|
58
58
|
if (ascii <= 57 && ascii >= 48) {
|
|
59
59
|
// a number
|
|
60
60
|
inValue = true;
|
|
@@ -84,6 +84,7 @@ function fastParseXYData(spectrum, value) {
|
|
|
84
84
|
}
|
|
85
85
|
else {
|
|
86
86
|
// need to deal with duplicate and differences
|
|
87
|
+
// eslint-disable-next-line no-lonely-if
|
|
87
88
|
if (skipFirstValue) {
|
|
88
89
|
skipFirstValue = false;
|
|
89
90
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"fastParseXYData.js","sourceRoot":"","sources":["../../src/parse/fastParseXYData.js"],"names":[],"mappings":";;AAAA,SAAwB,eAAe,CAAC,QAAQ,EAAE,KAAK;IACrD,gCAAgC;IAChC,uBAAuB;IACvB,0DAA0D;IAE1D,IAAI,OAAO,GAAG,QAAQ,CAAC,OAAO,CAAC;IAC/B,IAAI,MAAM,GAAG,QAAQ,CAAC,MAAM,CAAC;IAE7B,QAAQ,CAAC,QAAQ,GAAG,IAAI,CAAC;IACzB,IAAI,WAAW,GAAG,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC;IACnC,QAAQ,CAAC,IAAI,GAAG,WAAW,CAAC;IAE5B,IAAI,QAAQ,GAAG,QAAQ,CAAC,MAAM,CAAC;IAC/B,IAAI,QAAQ,GAAG,QAAQ,CAAC,MAAM,CAAC;IAE/B,yBAAyB;IACzB,EAAE;IACF,IAAI,OAAO,GAAG,KAAK,CAAC;IACpB,IAAI,KAAK,CAAC;IACV,IAAI,CAAC,GAAG,CAAC,CAAC;IACV,OAAO,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QAC5B,KAAK,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC;QAC5B,IAAI,KAAK,KAAK,EAAE,IAAI,KAAK,KAAK,EAAE,EAAE;YAChC,OAAO,GAAG,IAAI,CAAC;SAChB;aAAM
|
|
1
|
+
{"version":3,"file":"fastParseXYData.js","sourceRoot":"","sources":["../../src/parse/fastParseXYData.js"],"names":[],"mappings":";;AAAA,SAAwB,eAAe,CAAC,QAAQ,EAAE,KAAK;IACrD,gCAAgC;IAChC,uBAAuB;IACvB,0DAA0D;IAE1D,IAAI,OAAO,GAAG,QAAQ,CAAC,OAAO,CAAC;IAC/B,IAAI,MAAM,GAAG,QAAQ,CAAC,MAAM,CAAC;IAE7B,QAAQ,CAAC,QAAQ,GAAG,IAAI,CAAC;IACzB,IAAI,WAAW,GAAG,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC;IACnC,QAAQ,CAAC,IAAI,GAAG,WAAW,CAAC;IAE5B,IAAI,QAAQ,GAAG,QAAQ,CAAC,MAAM,CAAC;IAC/B,IAAI,QAAQ,GAAG,QAAQ,CAAC,MAAM,CAAC;IAE/B,yBAAyB;IACzB,EAAE;IACF,IAAI,OAAO,GAAG,KAAK,CAAC;IACpB,IAAI,KAAK,CAAC;IACV,IAAI,CAAC,GAAG,CAAC,CAAC;IACV,OAAO,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QAC5B,KAAK,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC;QAC5B,IAAI,KAAK,KAAK,EAAE,IAAI,KAAK,KAAK,EAAE,EAAE;YAChC,OAAO,GAAG,IAAI,CAAC;SAChB;aAAM,IAAI,OAAO,EAAE;YAClB,MAAM;SACP;KACF;IAED,+CAA+C;IAC/C,IAAI,OAAO,GAAG,IAAI,CAAC;IACnB,IAAI,YAAY,GAAG,KAAK,CAAC;IACzB,IAAI,gBAAgB,GAAG,KAAK,CAAC;IAC7B,IAAI,cAAc,GAAG,CAAC,CAAC;IACvB,IAAI,WAAW,GAAG,KAAK,CAAC;IACxB,IAAI,SAAS,GAAG,KAAK,CAAC;IACtB,IAAI,YAAY,GAAG,CAAC,CAAC,CAAC,qCAAqC;IAC3D,IAAI,SAAS,GAAG,CAAC,CAAC,CAAC,8BAA8B;IACjD,IAAI,UAAU,GAAG,KAAK,CAAC;IACvB,IAAI,OAAO,GAAG,KAAK,CAAC;IACpB,IAAI,cAAc,GAAG,KAAK,CAAC;IAC3B,IAAI,eAAe,GAAG,CAAC,CAAC;IACxB,OAAO,CAAC,IAAI,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QAC7B,IAAI,CAAC,KAAK,KAAK,CAAC,MAAM;YAAE,KAAK,GAAG,EAAE,CAAC;;YAC9B,KAAK,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC;QACjC,IAAI,SAAS,EAAE;YACb,+CAA+C;YAC/C,IAAI,KAAK,KAAK,EAAE,IAAI,KAAK,KAAK,EAAE,EAAE;gBAChC,OAAO,GAAG,IAAI,CAAC;gBACf,SAAS,GAAG,KAAK,CAAC;aACnB;SACF;aAAM;YACL,2BAA2B;YAC3B,qCAAqC;YACrC,mDAAmD;YACnD,wCAAwC;YACxC,IAAI,KAAK,IAAI,EAAE,IAAI,KAAK,IAAI,EAAE,EAAE;gBAC9B,WAAW;gBACX,OAAO,GAAG,IAAI,CAAC;gBACf,IAAI,eAAe,GAAG,CAAC,EAAE;oBACvB,YAAY,IAAI,CAAC,KAAK,GAAG,EAAE,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,eAAe,EAAE,CAAC,CAAC;iBAChE;qBAAM;oBACL,YAAY,IAAI,EAAE,CAAC;oBACnB,YAAY,IAAI,KAAK,GAAG,EAAE,CAAC;iBAC5B;aACF;iBAAM,IAAI,KAAK,KAAK,EAAE,IAAI,KAAK,KAAK,EAAE,EAAE;gBACvC,eAAe;gBACf,OAAO,GAAG,IAAI,CAAC;gBACf,eAAe,EAAE,CAAC;aACnB;iBAAM;gBACL,IAAI,OAAO,EAAE;oBACX,qCAAqC;oBACrC,IAAI,OAAO,EAAE;wBACX,OAAO,GAAG,KAAK,CAAC,CAAC,6BAA6B;wBAC9C,wDAAwD;wBACxD,oEAAoE;wBACpE,0BAA0B;wBAC1B,IAAI,gBAAgB;4BAAE,cAAc,GAAG,IAAI,CAAC;qBAC7C;yBAAM;wBACL,8CAA8C;wBAC9C,wCAAwC;wBACxC,IAAI,cAAc,EAAE;4BAClB,cAAc,GAAG,KAAK,CAAC;yBACxB;6BAAM;4BACL,IAAI,YAAY,EAAE;gCAChB,cAAc,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC,GAAG,YAAY,CAAC,CAAC,CAAC,YAAY,CAAC;gCAC9D,gBAAgB,GAAG,IAAI,CAAC;gCACxB,YAAY,GAAG,KAAK,CAAC;6BACtB;iCAAM,IAAI,CAAC,WAAW,EAAE;gCACvB,SAAS,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC,GAAG,YAAY,CAAC,CAAC,CAAC,YAAY,CAAC;6BAC1D;4BACD,IAAI,SAAS,GAAG,WAAW,CAAC,CAAC,CAAC,YAAY,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;4BACnD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,SAAS,EAAE,CAAC,EAAE,EAAE;gCAClC,IAAI,gBAAgB,EAAE;oCACpB,QAAQ,IAAI,cAAc,CAAC;iCAC5B;qCAAM;oCACL,QAAQ,GAAG,SAAS,CAAC;iCACtB;gCACD,WAAW,CAAC,CAAC,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;gCAC7B,WAAW,CAAC,CAAC,CAAC,IAAI,CAAC,QAAQ,GAAG,OAAO,CAAC,CAAC;gCACvC,QAAQ,IAAI,MAAM,CAAC;6BACpB;yBACF;qBACF;oBACD,UAAU,GAAG,KAAK,CAAC;oBACnB,YAAY,GAAG,CAAC,CAAC;oBACjB,eAAe,GAAG,CAAC,CAAC;oBACpB,OAAO,GAAG,KAAK,CAAC;oBAChB,WAAW,GAAG,KAAK,CAAC;iBACrB;gBAED,wDAAwD;gBACxD,IAAI,KAAK,GAAG,EAAE,IAAI,KAAK,GAAG,EAAE,EAAE;oBAC5B,OAAO,GAAG,IAAI,CAAC;oBACf,gBAAgB,GAAG,KAAK,CAAC;oBACzB,YAAY,GAAG,KAAK,GAAG,EAAE,CAAC;iBAC3B;qBAAM,IAAI,KAAK,GAAG,EAAE,IAAI,KAAK,GAAG,GAAG,EAAE;oBACpC,uDAAuD;oBACvD,OAAO,GAAG,IAAI,CAAC;oBACf,gBAAgB,GAAG,KAAK,CAAC;oBACzB,YAAY,GAAG,KAAK,GAAG,EAAE,CAAC;oBAC1B,UAAU,GAAG,IAAI,CAAC;iBACnB;qBAAM,IAAI,KAAK,KAAK,GAAG,EAAE;oBACxB,kDAAkD;oBAClD,OAAO,GAAG,IAAI,CAAC;oBACf,WAAW,GAAG,IAAI,CAAC;oBACnB,YAAY,GAAG,CAAC,CAAC;iBAClB;qBAAM,IAAI,KAAK,GAAG,EAAE,IAAI,KAAK,GAAG,EAAE,EAAE;oBACnC,OAAO,GAAG,IAAI,CAAC;oBACf,WAAW,GAAG,IAAI,CAAC;oBACnB,YAAY,GAAG,KAAK,GAAG,EAAE,CAAC;iBAC3B;qBAAM,IAAI,KAAK,GAAG,EAAE,IAAI,KAAK,GAAG,EAAE,EAAE;oBACnC,4DAA4D;oBAC5D,OAAO,GAAG,IAAI,CAAC;oBACf,YAAY,GAAG,IAAI,CAAC;oBACpB,YAAY,GAAG,KAAK,GAAG,EAAE,CAAC;iBAC3B;qBAAM,IAAI,KAAK,GAAG,GAAG,IAAI,KAAK,GAAG,GAAG,EAAE;oBACrC,wDAAwD;oBACxD,OAAO,GAAG,IAAI,CAAC;oBACf,YAAY,GAAG,IAAI,CAAC;oBACpB,YAAY,GAAG,KAAK,GAAG,GAAG,CAAC;oBAC3B,UAAU,GAAG,IAAI,CAAC;iBACnB;qBAAM,IAAI,KAAK,KAAK,EAAE,IAAI,KAAK,CAAC,UAAU,CAAC,CAAC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE;oBACzD,wCAAwC;oBACxC,OAAO,GAAG,IAAI,CAAC;oBACf,SAAS,GAAG,IAAI,CAAC;iBAClB;qBAAM,IAAI,KAAK,KAAK,EAAE,EAAE;oBACvB,4DAA4D;oBAC5D,OAAO,GAAG,IAAI,CAAC;oBACf,YAAY,GAAG,IAAI,CAAC;oBACpB,YAAY,GAAG,CAAC,CAAC;oBACjB,UAAU,GAAG,KAAK,CAAC;iBACpB;qBAAM,IAAI,KAAK,KAAK,EAAE,EAAE;oBACvB,QAAQ;oBACR,qDAAqD;oBACrD,IAAI,MAAM,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;oBACrC,IACE,CAAC,MAAM,IAAI,EAAE,IAAI,MAAM,IAAI,EAAE,CAAC;wBAC9B,MAAM,KAAK,EAAE;wBACb,MAAM,KAAK,EAAE,EACb;wBACA,OAAO,GAAG,IAAI,CAAC;wBACf,IAAI,CAAC,OAAO;4BAAE,gBAAgB,GAAG,KAAK,CAAC;wBACvC,UAAU,GAAG,IAAI,CAAC;qBACnB;iBACF;qBAAM,IAAI,KAAK,KAAK,EAAE,IAAI,KAAK,KAAK,EAAE,EAAE;oBACvC,OAAO,GAAG,IAAI,CAAC;oBACf,SAAS,GAAG,KAAK,CAAC;iBACnB;gBACD,sDAAsD;gBACtD,4BAA4B;aAC7B;SACF;KACF;AACH,CAAC;AA9KD,kCA8KC"}
|
|
@@ -40,13 +40,13 @@ export default function convertTo3DZ(spectra) {
|
|
|
40
40
|
}
|
|
41
41
|
const median = getMedian(medians);
|
|
42
42
|
return {
|
|
43
|
-
z
|
|
43
|
+
z,
|
|
44
44
|
minX: Math.min(firstX, lastX),
|
|
45
45
|
maxX: Math.max(firstX, lastX),
|
|
46
46
|
minY: Math.min(firstY, lastY),
|
|
47
47
|
maxY: Math.max(firstY, lastY),
|
|
48
|
-
minZ
|
|
49
|
-
maxZ
|
|
48
|
+
minZ,
|
|
49
|
+
maxZ,
|
|
50
50
|
noise: median,
|
|
51
51
|
};
|
|
52
52
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"convertTo3DZ.js","sourceRoot":"","sources":["../../src/2d/convertTo3DZ.js"],"names":[],"mappings":"AAAA,OAAO,SAAS,MAAM,iBAAiB,CAAC;AAExC,MAAM,CAAC,OAAO,UAAU,YAAY,CAAC,OAAO;IAC1C,IAAI,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IAChC,IAAI,IAAI,GAAG,IAAI,CAAC;IAChB,IAAI,KAAK,GAAG,OAAO,CAAC,MAAM,CAAC;IAC3B,IAAI,KAAK,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,CAAC;IAErC,IAAI,CAAC,GAAG,IAAI,KAAK,CAAC,KAAK,CAAC,CAAC;IACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;QAC9B,CAAC,CAAC,CAAC,CAAC,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC;QACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;YAC9B,IAAI,KAAK,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YACpB,IAAI,KAAK,GAAG,IAAI;gBAAE,IAAI,GAAG,KAAK,CAAC;YAC/B,IAAI,KAAK,GAAG,IAAI;gBAAE,IAAI,GAAG,KAAK,CAAC;SAChC;KACF;IAED,MAAM,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IACpC,MAAM,KAAK,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,sDAAsD;IACrH,MAAM,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC;IACpC,MAAM,KAAK,GAAG,OAAO,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC,SAAS,CAAC;IAE3C,qFAAqF;IACrF,0CAA0C;IAC1C,IAAI,MAAM,GAAG,KAAK,EAAE;QAClB,KAAK,IAAI,QAAQ,IAAI,CAAC,EAAE;YACtB,QAAQ,CAAC,OAAO,EAAE,CAAC;SACpB;KACF;IACD,IAAI,MAAM,GAAG,KAAK,EAAE;QAClB,CAAC,CAAC,OAAO,EAAE,CAAC;KACb;IAED,MAAM,OAAO,GAAG,EAAE,CAAC;IACnB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACjC,MAAM,GAAG,GAAG,YAAY,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;QACpC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACnC,IAAI,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC;gBAAE,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;SAClC;QACD,OAAO,CAAC,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,CAAC,CAAC;KAC9B;IACD,MAAM,MAAM,GAAG,SAAS,CAAC,OAAO,CAAC,CAAC;IAElC,OAAO;QACL,CAAC
|
|
1
|
+
{"version":3,"file":"convertTo3DZ.js","sourceRoot":"","sources":["../../src/2d/convertTo3DZ.js"],"names":[],"mappings":"AAAA,OAAO,SAAS,MAAM,iBAAiB,CAAC;AAExC,MAAM,CAAC,OAAO,UAAU,YAAY,CAAC,OAAO;IAC1C,IAAI,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IAChC,IAAI,IAAI,GAAG,IAAI,CAAC;IAChB,IAAI,KAAK,GAAG,OAAO,CAAC,MAAM,CAAC;IAC3B,IAAI,KAAK,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,CAAC;IAErC,IAAI,CAAC,GAAG,IAAI,KAAK,CAAC,KAAK,CAAC,CAAC;IACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;QAC9B,CAAC,CAAC,CAAC,CAAC,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC;QACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;YAC9B,IAAI,KAAK,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YACpB,IAAI,KAAK,GAAG,IAAI;gBAAE,IAAI,GAAG,KAAK,CAAC;YAC/B,IAAI,KAAK,GAAG,IAAI;gBAAE,IAAI,GAAG,KAAK,CAAC;SAChC;KACF;IAED,MAAM,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IACpC,MAAM,KAAK,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,sDAAsD;IACrH,MAAM,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC;IACpC,MAAM,KAAK,GAAG,OAAO,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC,SAAS,CAAC;IAE3C,qFAAqF;IACrF,0CAA0C;IAC1C,IAAI,MAAM,GAAG,KAAK,EAAE;QAClB,KAAK,IAAI,QAAQ,IAAI,CAAC,EAAE;YACtB,QAAQ,CAAC,OAAO,EAAE,CAAC;SACpB;KACF;IACD,IAAI,MAAM,GAAG,KAAK,EAAE;QAClB,CAAC,CAAC,OAAO,EAAE,CAAC;KACb;IAED,MAAM,OAAO,GAAG,EAAE,CAAC;IACnB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACjC,MAAM,GAAG,GAAG,YAAY,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;QACpC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACnC,IAAI,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC;gBAAE,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;SAClC;QACD,OAAO,CAAC,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,CAAC,CAAC;KAC9B;IACD,MAAM,MAAM,GAAG,SAAS,CAAC,OAAO,CAAC,CAAC;IAElC,OAAO;QACL,CAAC;QACD,IAAI,EAAE,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,KAAK,CAAC;QAC7B,IAAI,EAAE,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,KAAK,CAAC;QAC7B,IAAI,EAAE,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,KAAK,CAAC;QAC7B,IAAI,EAAE,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,KAAK,CAAC;QAC7B,IAAI;QACJ,IAAI;QACJ,KAAK,EAAE,MAAM;KACd,CAAC;AACJ,CAAC"}
|
package/lib-esm/convert.d.ts
CHANGED
|
@@ -45,6 +45,7 @@
|
|
|
45
45
|
* @property {Spectrum[]} spectra
|
|
46
46
|
* @property {Ntuples} ntuples
|
|
47
47
|
* @property {object} meta
|
|
48
|
+
* @property {object} info
|
|
48
49
|
* @property {object} tmp
|
|
49
50
|
* @property {string} [title]
|
|
50
51
|
* @property {string} [dataType]
|
|
@@ -132,6 +133,7 @@ export type Entry = {
|
|
|
132
133
|
spectra: Spectrum[];
|
|
133
134
|
ntuples: Ntuples;
|
|
134
135
|
meta: object;
|
|
136
|
+
info: object;
|
|
135
137
|
tmp: object;
|
|
136
138
|
title?: string | undefined;
|
|
137
139
|
dataType?: string | undefined;
|
package/lib-esm/convert.d.ts.map
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"convert.d.ts","sourceRoot":"","sources":["../src/convert.js"],"names":[],"mappings":"AA8BA;;;;;;;;;;;;;;GAcG;AAEH;;;;;;;;;;;;;;;GAeG;AAEH;;;;;;;;;GASG;AAEH
|
|
1
|
+
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package/lib-esm/convert.js
CHANGED
package/lib-esm/convert.js.map
CHANGED
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@@ -1 +1 @@
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1
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-
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+
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AC,MAAM,CAAC,KAAK,CAAC,CAAC,EAAE;oBACjC,MAAM,CAAC,KAAK,CAAC,GAAG,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;iBACjC;gBACD,MAAM,CAAC,KAAK,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;aAC3B;iBAAM;gBACL,MAAM,CAAC,KAAK,CAAC,GAAG,KAAK,CAAC;aACvB;SACF;KACF;IAED,SAAS,CAAC,MAAM,EAAE,kBAAkB,EAAE,OAAO,CAAC,CAAC;IAE/C,cAAc,CAAC,WAAW,EAAE,MAAM,EAAE,OAAO,CAAC,CAAC;IAE7C,SAAS,CAAC,MAAM,EAAE,YAAY,EAAE,OAAO,CAAC,CAAC;IAEzC;;;;MAIE;IACF,MAAM,CAAC,OAAO,GAAG,SAAS,CAAC,QAAQ,CAAC;IACpC,MAAM,CAAC,OAAO,GAAG,WAAW,CAAC;IAE7B,OAAO,MAAM,CAAC;AAChB,CAAC"}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"fastParseXYData.d.ts","sourceRoot":"","sources":["../../src/parse/fastParseXYData.js"],"names":[],"mappings":"AAAA,
|
|
1
|
+
{"version":3,"file":"fastParseXYData.d.ts","sourceRoot":"","sources":["../../src/parse/fastParseXYData.js"],"names":[],"mappings":"AAAA,yEA8KC"}
|
|
@@ -19,9 +19,8 @@ export default function fastParseXYData(spectrum, value) {
|
|
|
19
19
|
if (ascii === 13 || ascii === 10) {
|
|
20
20
|
endLine = true;
|
|
21
21
|
}
|
|
22
|
-
else {
|
|
23
|
-
|
|
24
|
-
break;
|
|
22
|
+
else if (endLine) {
|
|
23
|
+
break;
|
|
25
24
|
}
|
|
26
25
|
}
|
|
27
26
|
// we proceed taking the i after the first line
|
|
@@ -53,6 +52,7 @@ export default function fastParseXYData(spectrum, value) {
|
|
|
53
52
|
// when is it a new value ?
|
|
54
53
|
// when it is not a digit, . or comma
|
|
55
54
|
// it is a number that is either new or we continue
|
|
55
|
+
// eslint-disable-next-line no-lonely-if
|
|
56
56
|
if (ascii <= 57 && ascii >= 48) {
|
|
57
57
|
// a number
|
|
58
58
|
inValue = true;
|
|
@@ -82,6 +82,7 @@ export default function fastParseXYData(spectrum, value) {
|
|
|
82
82
|
}
|
|
83
83
|
else {
|
|
84
84
|
// need to deal with duplicate and differences
|
|
85
|
+
// eslint-disable-next-line no-lonely-if
|
|
85
86
|
if (skipFirstValue) {
|
|
86
87
|
skipFirstValue = false;
|
|
87
88
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"fastParseXYData.js","sourceRoot":"","sources":["../../src/parse/fastParseXYData.js"],"names":[],"mappings":"AAAA,MAAM,CAAC,OAAO,UAAU,eAAe,CAAC,QAAQ,EAAE,KAAK;IACrD,gCAAgC;IAChC,uBAAuB;IACvB,0DAA0D;IAE1D,IAAI,OAAO,GAAG,QAAQ,CAAC,OAAO,CAAC;IAC/B,IAAI,MAAM,GAAG,QAAQ,CAAC,MAAM,CAAC;IAE7B,QAAQ,CAAC,QAAQ,GAAG,IAAI,CAAC;IACzB,IAAI,WAAW,GAAG,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC;IACnC,QAAQ,CAAC,IAAI,GAAG,WAAW,CAAC;IAE5B,IAAI,QAAQ,GAAG,QAAQ,CAAC,MAAM,CAAC;IAC/B,IAAI,QAAQ,GAAG,QAAQ,CAAC,MAAM,CAAC;IAE/B,yBAAyB;IACzB,EAAE;IACF,IAAI,OAAO,GAAG,KAAK,CAAC;IACpB,IAAI,KAAK,CAAC;IACV,IAAI,CAAC,GAAG,CAAC,CAAC;IACV,OAAO,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QAC5B,KAAK,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC;QAC5B,IAAI,KAAK,KAAK,EAAE,IAAI,KAAK,KAAK,EAAE,EAAE;YAChC,OAAO,GAAG,IAAI,CAAC;SAChB;aAAM
|
|
1
|
+
{"version":3,"file":"fastParseXYData.js","sourceRoot":"","sources":["../../src/parse/fastParseXYData.js"],"names":[],"mappings":"AAAA,MAAM,CAAC,OAAO,UAAU,eAAe,CAAC,QAAQ,EAAE,KAAK;IACrD,gCAAgC;IAChC,uBAAuB;IACvB,0DAA0D;IAE1D,IAAI,OAAO,GAAG,QAAQ,CAAC,OAAO,CAAC;IAC/B,IAAI,MAAM,GAAG,QAAQ,CAAC,MAAM,CAAC;IAE7B,QAAQ,CAAC,QAAQ,GAAG,IAAI,CAAC;IACzB,IAAI,WAAW,GAAG,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC;IACnC,QAAQ,CAAC,IAAI,GAAG,WAAW,CAAC;IAE5B,IAAI,QAAQ,GAAG,QAAQ,CAAC,MAAM,CAAC;IAC/B,IAAI,QAAQ,GAAG,QAAQ,CAAC,MAAM,CAAC;IAE/B,yBAAyB;IACzB,EAAE;IACF,IAAI,OAAO,GAAG,KAAK,CAAC;IACpB,IAAI,KAAK,CAAC;IACV,IAAI,CAAC,GAAG,CAAC,CAAC;IACV,OAAO,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QAC5B,KAAK,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC;QAC5B,IAAI,KAAK,KAAK,EAAE,IAAI,KAAK,KAAK,EAAE,EAAE;YAChC,OAAO,GAAG,IAAI,CAAC;SAChB;aAAM,IAAI,OAAO,EAAE;YAClB,MAAM;SACP;KACF;IAED,+CAA+C;IAC/C,IAAI,OAAO,GAAG,IAAI,CAAC;IACnB,IAAI,YAAY,GAAG,KAAK,CAAC;IACzB,IAAI,gBAAgB,GAAG,KAAK,CAAC;IAC7B,IAAI,cAAc,GAAG,CAAC,CAAC;IACvB,IAAI,WAAW,GAAG,KAAK,CAAC;IACxB,IAAI,SAAS,GAAG,KAAK,CAAC;IACtB,IAAI,YAAY,GAAG,CAAC,CAAC,CAAC,qCAAqC;IAC3D,IAAI,SAAS,GAAG,CAAC,CAAC,CAAC,8BAA8B;IACjD,IAAI,UAAU,GAAG,KAAK,CAAC;IACvB,IAAI,OAAO,GAAG,KAAK,CAAC;IACpB,IAAI,cAAc,GAAG,KAAK,CAAC;IAC3B,IAAI,eAAe,GAAG,CAAC,CAAC;IACxB,OAAO,CAAC,IAAI,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QAC7B,IAAI,CAAC,KAAK,KAAK,CAAC,MAAM;YAAE,KAAK,GAAG,EAAE,CAAC;;YAC9B,KAAK,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC;QACjC,IAAI,SAAS,EAAE;YACb,+CAA+C;YAC/C,IAAI,KAAK,KAAK,EAAE,IAAI,KAAK,KAAK,EAAE,EAAE;gBAChC,OAAO,GAAG,IAAI,CAAC;gBACf,SAAS,GAAG,KAAK,CAAC;aACnB;SACF;aAAM;YACL,2BAA2B;YAC3B,qCAAqC;YACrC,mDAAmD;YACnD,wCAAwC;YACxC,IAAI,KAAK,IAAI,EAAE,IAAI,KAAK,IAAI,EAAE,EAAE;gBAC9B,WAAW;gBACX,OAAO,GAAG,IAAI,CAAC;gBACf,IAAI,eAAe,GAAG,CAAC,EAAE;oBACvB,YAAY,IAAI,CAAC,KAAK,GAAG,EAAE,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,eAAe,EAAE,CAAC,CAAC;iBAChE;qBAAM;oBACL,YAAY,IAAI,EAAE,CAAC;oBACnB,YAAY,IAAI,KAAK,GAAG,EAAE,CAAC;iBAC5B;aACF;iBAAM,IAAI,KAAK,KAAK,EAAE,IAAI,KAAK,KAAK,EAAE,EAAE;gBACvC,eAAe;gBACf,OAAO,GAAG,IAAI,CAAC;gBACf,eAAe,EAAE,CAAC;aACnB;iBAAM;gBACL,IAAI,OAAO,EAAE;oBACX,qCAAqC;oBACrC,IAAI,OAAO,EAAE;wBACX,OAAO,GAAG,KAAK,CAAC,CAAC,6BAA6B;wBAC9C,wDAAwD;wBACxD,oEAAoE;wBACpE,0BAA0B;wBAC1B,IAAI,gBAAgB;4BAAE,cAAc,GAAG,IAAI,CAAC;qBAC7C;yBAAM;wBACL,8CAA8C;wBAC9C,wCAAwC;wBACxC,IAAI,cAAc,EAAE;4BAClB,cAAc,GAAG,KAAK,CAAC;yBACxB;6BAAM;4BACL,IAAI,YAAY,EAAE;gCAChB,cAAc,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC,GAAG,YAAY,CAAC,CAAC,CAAC,YAAY,CAAC;gCAC9D,gBAAgB,GAAG,IAAI,CAAC;gCACxB,YAAY,GAAG,KAAK,CAAC;6BACtB;iCAAM,IAAI,CAAC,WAAW,EAAE;gCACvB,SAAS,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC,GAAG,YAAY,CAAC,CAAC,CAAC,YAAY,CAAC;6BAC1D;4BACD,IAAI,SAAS,GAAG,WAAW,CAAC,CAAC,CAAC,YAAY,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;4BACnD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,SAAS,EAAE,CAAC,EAAE,EAAE;gCAClC,IAAI,gBAAgB,EAAE;oCACpB,QAAQ,IAAI,cAAc,CAAC;iCAC5B;qCAAM;oCACL,QAAQ,GAAG,SAAS,CAAC;iCACtB;gCACD,WAAW,CAAC,CAAC,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;gCAC7B,WAAW,CAAC,CAAC,CAAC,IAAI,CAAC,QAAQ,GAAG,OAAO,CAAC,CAAC;gCACvC,QAAQ,IAAI,MAAM,CAAC;6BACpB;yBACF;qBACF;oBACD,UAAU,GAAG,KAAK,CAAC;oBACnB,YAAY,GAAG,CAAC,CAAC;oBACjB,eAAe,GAAG,CAAC,CAAC;oBACpB,OAAO,GAAG,KAAK,CAAC;oBAChB,WAAW,GAAG,KAAK,CAAC;iBACrB;gBAED,wDAAwD;gBACxD,IAAI,KAAK,GAAG,EAAE,IAAI,KAAK,GAAG,EAAE,EAAE;oBAC5B,OAAO,GAAG,IAAI,CAAC;oBACf,gBAAgB,GAAG,KAAK,CAAC;oBACzB,YAAY,GAAG,KAAK,GAAG,EAAE,CAAC;iBAC3B;qBAAM,IAAI,KAAK,GAAG,EAAE,IAAI,KAAK,GAAG,GAAG,EAAE;oBACpC,uDAAuD;oBACvD,OAAO,GAAG,IAAI,CAAC;oBACf,gBAAgB,GAAG,KAAK,CAAC;oBACzB,YAAY,GAAG,KAAK,GAAG,EAAE,CAAC;oBAC1B,UAAU,GAAG,IAAI,CAAC;iBACnB;qBAAM,IAAI,KAAK,KAAK,GAAG,EAAE;oBACxB,kDAAkD;oBAClD,OAAO,GAAG,IAAI,CAAC;oBACf,WAAW,GAAG,IAAI,CAAC;oBACnB,YAAY,GAAG,CAAC,CAAC;iBAClB;qBAAM,IAAI,KAAK,GAAG,EAAE,IAAI,KAAK,GAAG,EAAE,EAAE;oBACnC,OAAO,GAAG,IAAI,CAAC;oBACf,WAAW,GAAG,IAAI,CAAC;oBACnB,YAAY,GAAG,KAAK,GAAG,EAAE,CAAC;iBAC3B;qBAAM,IAAI,KAAK,GAAG,EAAE,IAAI,KAAK,GAAG,EAAE,EAAE;oBACnC,4DAA4D;oBAC5D,OAAO,GAAG,IAAI,CAAC;oBACf,YAAY,GAAG,IAAI,CAAC;oBACpB,YAAY,GAAG,KAAK,GAAG,EAAE,CAAC;iBAC3B;qBAAM,IAAI,KAAK,GAAG,GAAG,IAAI,KAAK,GAAG,GAAG,EAAE;oBACrC,wDAAwD;oBACxD,OAAO,GAAG,IAAI,CAAC;oBACf,YAAY,GAAG,IAAI,CAAC;oBACpB,YAAY,GAAG,KAAK,GAAG,GAAG,CAAC;oBAC3B,UAAU,GAAG,IAAI,CAAC;iBACnB;qBAAM,IAAI,KAAK,KAAK,EAAE,IAAI,KAAK,CAAC,UAAU,CAAC,CAAC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE;oBACzD,wCAAwC;oBACxC,OAAO,GAAG,IAAI,CAAC;oBACf,SAAS,GAAG,IAAI,CAAC;iBAClB;qBAAM,IAAI,KAAK,KAAK,EAAE,EAAE;oBACvB,4DAA4D;oBAC5D,OAAO,GAAG,IAAI,CAAC;oBACf,YAAY,GAAG,IAAI,CAAC;oBACpB,YAAY,GAAG,CAAC,CAAC;oBACjB,UAAU,GAAG,KAAK,CAAC;iBACpB;qBAAM,IAAI,KAAK,KAAK,EAAE,EAAE;oBACvB,QAAQ;oBACR,qDAAqD;oBACrD,IAAI,MAAM,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;oBACrC,IACE,CAAC,MAAM,IAAI,EAAE,IAAI,MAAM,IAAI,EAAE,CAAC;wBAC9B,MAAM,KAAK,EAAE;wBACb,MAAM,KAAK,EAAE,EACb;wBACA,OAAO,GAAG,IAAI,CAAC;wBACf,IAAI,CAAC,OAAO;4BAAE,gBAAgB,GAAG,KAAK,CAAC;wBACvC,UAAU,GAAG,IAAI,CAAC;qBACnB;iBACF;qBAAM,IAAI,KAAK,KAAK,EAAE,IAAI,KAAK,KAAK,EAAE,EAAE;oBACvC,OAAO,GAAG,IAAI,CAAC;oBACf,SAAS,GAAG,KAAK,CAAC;iBACnB;gBACD,sDAAsD;gBACtD,4BAA4B;aAC7B;SACF;KACF;AACH,CAAC"}
|
package/package.json
CHANGED
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
{
|
|
2
2
|
"name": "jcampconverter",
|
|
3
|
-
"version": "9.0.
|
|
3
|
+
"version": "9.0.2",
|
|
4
4
|
"description": "Parse and convert JCAMP data",
|
|
5
5
|
"main": "lib/index.js",
|
|
6
6
|
"module": "lib-esm/index.js",
|
|
@@ -10,13 +10,6 @@
|
|
|
10
10
|
"src",
|
|
11
11
|
"lib-esm"
|
|
12
12
|
],
|
|
13
|
-
"prettier": {
|
|
14
|
-
"arrowParens": "always",
|
|
15
|
-
"semi": true,
|
|
16
|
-
"singleQuote": true,
|
|
17
|
-
"tabWidth": 2,
|
|
18
|
-
"trailingComma": "all"
|
|
19
|
-
},
|
|
20
13
|
"scripts": {
|
|
21
14
|
"build": "cheminfo-build --entry src/index.js --root JcampConverter",
|
|
22
15
|
"check-types": "tsc --noEmit",
|
|
@@ -27,9 +20,8 @@
|
|
|
27
20
|
"prepack": "npm run tsc",
|
|
28
21
|
"prettier": "prettier --check src",
|
|
29
22
|
"prettier-write": "prettier --write src",
|
|
30
|
-
"test": "npm run test-
|
|
31
|
-
"test-
|
|
32
|
-
"test-only": "jest",
|
|
23
|
+
"test": "npm run test-only && npm run eslint && npm run prettier && npm run check-types",
|
|
24
|
+
"test-only": "vitest run --globals --coverage",
|
|
33
25
|
"tsc": "npm run clean && npm run tsc-cjs && npm run tsc-esm",
|
|
34
26
|
"tsc-cjs": "tsc --project tsconfig.cjs.json",
|
|
35
27
|
"tsc-esm": "tsc --project tsconfig.esm.json",
|
|
@@ -52,19 +44,19 @@
|
|
|
52
44
|
},
|
|
53
45
|
"homepage": "https://github.com/cheminfo/jcampconverter#readme",
|
|
54
46
|
"devDependencies": {
|
|
55
|
-
"@types/jest": "^
|
|
47
|
+
"@types/jest": "^28.1.1",
|
|
56
48
|
"benchmark": "^2.1.4",
|
|
49
|
+
"c8": "^7.11.3",
|
|
57
50
|
"cheminfo-build": "^1.1.11",
|
|
58
|
-
"eslint": "^8.
|
|
59
|
-
"eslint-config-cheminfo-typescript": "^
|
|
51
|
+
"eslint": "^8.17.0",
|
|
52
|
+
"eslint-config-cheminfo-typescript": "^11.0.1",
|
|
60
53
|
"esm": "^3.2.25",
|
|
61
|
-
"jest": "^28.0.3",
|
|
62
54
|
"jest-matcher-deep-close-to": "^3.0.2",
|
|
63
55
|
"jscpd": "^3.4.5",
|
|
64
56
|
"prettier": "^2.6.2",
|
|
65
57
|
"rimraf": "^3.0.2",
|
|
66
|
-
"
|
|
67
|
-
"
|
|
58
|
+
"typescript": "^4.7.3",
|
|
59
|
+
"vitest": "^0.14.1"
|
|
68
60
|
},
|
|
69
61
|
"dependencies": {
|
|
70
62
|
"dynamic-typing": "^0.1.3",
|
package/src/2d/convertTo3DZ.js
CHANGED
|
@@ -43,13 +43,13 @@ export default function convertTo3DZ(spectra) {
|
|
|
43
43
|
const median = getMedian(medians);
|
|
44
44
|
|
|
45
45
|
return {
|
|
46
|
-
z
|
|
46
|
+
z,
|
|
47
47
|
minX: Math.min(firstX, lastX),
|
|
48
48
|
maxX: Math.max(firstX, lastX),
|
|
49
49
|
minY: Math.min(firstY, lastY),
|
|
50
50
|
maxY: Math.max(firstY, lastY),
|
|
51
|
-
minZ
|
|
52
|
-
maxZ
|
|
51
|
+
minZ,
|
|
52
|
+
maxZ,
|
|
53
53
|
noise: median,
|
|
54
54
|
};
|
|
55
55
|
}
|
package/src/convert.js
CHANGED
|
@@ -22,8 +22,8 @@ export default function fastParseXYData(spectrum, value) {
|
|
|
22
22
|
ascii = value.charCodeAt(i);
|
|
23
23
|
if (ascii === 13 || ascii === 10) {
|
|
24
24
|
endLine = true;
|
|
25
|
-
} else {
|
|
26
|
-
|
|
25
|
+
} else if (endLine) {
|
|
26
|
+
break;
|
|
27
27
|
}
|
|
28
28
|
}
|
|
29
29
|
|
|
@@ -53,6 +53,7 @@ export default function fastParseXYData(spectrum, value) {
|
|
|
53
53
|
// when is it a new value ?
|
|
54
54
|
// when it is not a digit, . or comma
|
|
55
55
|
// it is a number that is either new or we continue
|
|
56
|
+
// eslint-disable-next-line no-lonely-if
|
|
56
57
|
if (ascii <= 57 && ascii >= 48) {
|
|
57
58
|
// a number
|
|
58
59
|
inValue = true;
|
|
@@ -77,6 +78,7 @@ export default function fastParseXYData(spectrum, value) {
|
|
|
77
78
|
if (isLastDifference) skipFirstValue = true;
|
|
78
79
|
} else {
|
|
79
80
|
// need to deal with duplicate and differences
|
|
81
|
+
// eslint-disable-next-line no-lonely-if
|
|
80
82
|
if (skipFirstValue) {
|
|
81
83
|
skipFirstValue = false;
|
|
82
84
|
} else {
|