jcampconverter 8.2.2 → 8.2.3
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/lib/2d/add2D.d.ts +2 -0
- package/lib/2d/add2D.d.ts.map +1 -0
- package/lib/2d/add2D.js +17 -0
- package/lib/2d/add2D.js.map +1 -0
- package/lib/2d/convertTo3DZ.d.ts +11 -0
- package/lib/2d/convertTo3DZ.d.ts.map +1 -0
- package/lib/2d/convertTo3DZ.js +59 -0
- package/lib/2d/convertTo3DZ.js.map +1 -0
- package/lib/2d/generateContourLines.d.ts +8 -0
- package/lib/2d/generateContourLines.d.ts.map +1 -0
- package/lib/2d/generateContourLines.js +163 -0
- package/lib/2d/generateContourLines.js.map +1 -0
- package/lib/complexChromatogram.d.ts +4 -0
- package/lib/complexChromatogram.d.ts.map +1 -0
- package/lib/complexChromatogram.js +49 -0
- package/lib/complexChromatogram.js.map +1 -0
- package/lib/convert.d.ts +139 -0
- package/lib/convert.d.ts.map +1 -0
- package/lib/convert.js +383 -0
- package/lib/convert.js.map +1 -0
- package/lib/convertToFloatArray.d.ts +2 -0
- package/lib/convertToFloatArray.d.ts.map +1 -0
- package/lib/convertToFloatArray.js +11 -0
- package/lib/convertToFloatArray.js.map +1 -0
- package/lib/createTree.d.ts +29 -0
- package/lib/createTree.d.ts.map +1 -0
- package/lib/createTree.js +98 -0
- package/lib/createTree.js.map +1 -0
- package/lib/index.d.ts +3 -0
- package/lib/index.d.ts.map +1 -0
- package/lib/index.js +8 -1214
- package/lib/index.js.map +1 -0
- package/lib/parse/fastParseXYData.d.ts +2 -0
- package/lib/parse/fastParseXYData.d.ts.map +1 -0
- package/lib/parse/fastParseXYData.js +192 -0
- package/lib/parse/fastParseXYData.js.map +1 -0
- package/lib/parse/parsePeakTable.d.ts +2 -0
- package/lib/parse/parsePeakTable.d.ts.map +1 -0
- package/lib/parse/parsePeakTable.js +67 -0
- package/lib/parse/parsePeakTable.js.map +1 -0
- package/lib/parse/parseXYA.d.ts +2 -0
- package/lib/parse/parseXYA.d.ts.map +1 -0
- package/lib/parse/parseXYA.js +17 -0
- package/lib/parse/parseXYA.js.map +1 -0
- package/lib/postProcessing.d.ts +2 -0
- package/lib/postProcessing.d.ts.map +1 -0
- package/lib/postProcessing.js +50 -0
- package/lib/postProcessing.js.map +1 -0
- package/lib/postProcessingNMR.d.ts +2 -0
- package/lib/postProcessingNMR.d.ts.map +1 -0
- package/lib/postProcessingNMR.js +94 -0
- package/lib/postProcessingNMR.js.map +1 -0
- package/lib/prepareNtuplesDatatable.d.ts +2 -0
- package/lib/prepareNtuplesDatatable.d.ts.map +1 -0
- package/lib/prepareNtuplesDatatable.js +87 -0
- package/lib/prepareNtuplesDatatable.js.map +1 -0
- package/lib/prepareSpectrum.d.ts +2 -0
- package/lib/prepareSpectrum.d.ts.map +1 -0
- package/lib/prepareSpectrum.js +10 -0
- package/lib/prepareSpectrum.js.map +1 -0
- package/lib/profiling.d.ts +2 -0
- package/lib/profiling.d.ts.map +1 -0
- package/lib/profiling.js +12 -0
- package/lib/profiling.js.map +1 -0
- package/lib/simpleChromatogram.d.ts +2 -0
- package/lib/simpleChromatogram.d.ts.map +1 -0
- package/lib/simpleChromatogram.js +16 -0
- package/lib/simpleChromatogram.js.map +1 -0
- package/lib-esm/2d/add2D.d.ts +2 -0
- package/lib-esm/2d/add2D.d.ts.map +1 -0
- package/lib-esm/2d/add2D.js +11 -0
- package/lib-esm/2d/add2D.js.map +1 -0
- package/lib-esm/2d/convertTo3DZ.d.ts +11 -0
- package/lib-esm/2d/convertTo3DZ.d.ts.map +1 -0
- package/lib-esm/2d/convertTo3DZ.js +53 -0
- package/lib-esm/2d/convertTo3DZ.js.map +1 -0
- package/lib-esm/2d/generateContourLines.d.ts +8 -0
- package/lib-esm/2d/generateContourLines.d.ts.map +1 -0
- package/lib-esm/2d/generateContourLines.js +160 -0
- package/lib-esm/2d/generateContourLines.js.map +1 -0
- package/lib-esm/complexChromatogram.d.ts +4 -0
- package/lib-esm/complexChromatogram.d.ts.map +1 -0
- package/lib-esm/complexChromatogram.js +43 -0
- package/lib-esm/complexChromatogram.js.map +1 -0
- package/lib-esm/convert.d.ts +139 -0
- package/lib-esm/convert.d.ts.map +1 -0
- package/lib-esm/convert.js +376 -0
- package/lib-esm/convert.js.map +1 -0
- package/lib-esm/convertToFloatArray.d.ts +2 -0
- package/lib-esm/convertToFloatArray.d.ts.map +1 -0
- package/lib-esm/convertToFloatArray.js +8 -0
- package/lib-esm/convertToFloatArray.js.map +1 -0
- package/lib-esm/createTree.d.ts +29 -0
- package/lib-esm/createTree.d.ts.map +1 -0
- package/lib-esm/createTree.js +94 -0
- package/lib-esm/createTree.js.map +1 -0
- package/lib-esm/index.d.ts +3 -0
- package/lib-esm/index.d.ts.map +1 -0
- package/lib-esm/index.js +3 -0
- package/lib-esm/index.js.map +1 -0
- package/lib-esm/parse/fastParseXYData.d.ts +2 -0
- package/lib-esm/parse/fastParseXYData.d.ts.map +1 -0
- package/lib-esm/parse/fastParseXYData.js +189 -0
- package/lib-esm/parse/fastParseXYData.js.map +1 -0
- package/lib-esm/parse/parsePeakTable.d.ts +2 -0
- package/lib-esm/parse/parsePeakTable.d.ts.map +1 -0
- package/lib-esm/parse/parsePeakTable.js +64 -0
- package/lib-esm/parse/parsePeakTable.js.map +1 -0
- package/lib-esm/parse/parseXYA.d.ts +2 -0
- package/lib-esm/parse/parseXYA.d.ts.map +1 -0
- package/lib-esm/parse/parseXYA.js +14 -0
- package/lib-esm/parse/parseXYA.js.map +1 -0
- package/lib-esm/postProcessing.d.ts +2 -0
- package/lib-esm/postProcessing.d.ts.map +1 -0
- package/lib-esm/postProcessing.js +44 -0
- package/lib-esm/postProcessing.js.map +1 -0
- package/lib-esm/postProcessingNMR.d.ts +2 -0
- package/lib-esm/postProcessingNMR.d.ts.map +1 -0
- package/lib-esm/postProcessingNMR.js +91 -0
- package/lib-esm/postProcessingNMR.js.map +1 -0
- package/lib-esm/prepareNtuplesDatatable.d.ts +2 -0
- package/lib-esm/prepareNtuplesDatatable.d.ts.map +1 -0
- package/lib-esm/prepareNtuplesDatatable.js +84 -0
- package/lib-esm/prepareNtuplesDatatable.js.map +1 -0
- package/lib-esm/prepareSpectrum.d.ts +2 -0
- package/lib-esm/prepareSpectrum.d.ts.map +1 -0
- package/lib-esm/prepareSpectrum.js +7 -0
- package/lib-esm/prepareSpectrum.js.map +1 -0
- package/lib-esm/profiling.d.ts +2 -0
- package/lib-esm/profiling.d.ts.map +1 -0
- package/lib-esm/profiling.js +9 -0
- package/lib-esm/profiling.js.map +1 -0
- package/lib-esm/simpleChromatogram.d.ts +2 -0
- package/lib-esm/simpleChromatogram.d.ts.map +1 -0
- package/lib-esm/simpleChromatogram.js +13 -0
- package/lib-esm/simpleChromatogram.js.map +1 -0
- package/package.json +22 -17
- package/src/convert.js +57 -13
- package/src/createTree.js +16 -3
- package/CHANGELOG.md +0 -427
package/lib/index.js.map
ADDED
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.js"],"names":[],"mappings":";;;AAAA,2CAA0C;AAAjC,wGAAA,UAAU,OAAA;AACnB,qCAAoC;AAA3B,kGAAA,OAAO,OAAA"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"fastParseXYData.d.ts","sourceRoot":"","sources":["../../src/parse/fastParseXYData.js"],"names":[],"mappings":"AAAA,yEA4KC"}
|
|
@@ -0,0 +1,192 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
+
function fastParseXYData(spectrum, value) {
|
|
4
|
+
// TODO need to deal with result
|
|
5
|
+
// console.log(value);
|
|
6
|
+
// we check if deltaX is defined otherwise we calculate it
|
|
7
|
+
let yFactor = spectrum.yFactor;
|
|
8
|
+
let deltaX = spectrum.deltaX;
|
|
9
|
+
spectrum.isXYdata = true;
|
|
10
|
+
let currentData = { x: [], y: [] };
|
|
11
|
+
spectrum.data = currentData;
|
|
12
|
+
let currentX = spectrum.firstX;
|
|
13
|
+
let currentY = spectrum.firstY;
|
|
14
|
+
// we skip the first line
|
|
15
|
+
//
|
|
16
|
+
let endLine = false;
|
|
17
|
+
let ascii;
|
|
18
|
+
let i = 0;
|
|
19
|
+
for (; i < value.length; i++) {
|
|
20
|
+
ascii = value.charCodeAt(i);
|
|
21
|
+
if (ascii === 13 || ascii === 10) {
|
|
22
|
+
endLine = true;
|
|
23
|
+
}
|
|
24
|
+
else {
|
|
25
|
+
if (endLine)
|
|
26
|
+
break;
|
|
27
|
+
}
|
|
28
|
+
}
|
|
29
|
+
// we proceed taking the i after the first line
|
|
30
|
+
let newLine = true;
|
|
31
|
+
let isDifference = false;
|
|
32
|
+
let isLastDifference = false;
|
|
33
|
+
let lastDifference = 0;
|
|
34
|
+
let isDuplicate = false;
|
|
35
|
+
let inComment = false;
|
|
36
|
+
let currentValue = 0; // can be a difference or a duplicate
|
|
37
|
+
let lastValue = 0; // must be the real last value
|
|
38
|
+
let isNegative = false;
|
|
39
|
+
let inValue = false;
|
|
40
|
+
let skipFirstValue = false;
|
|
41
|
+
let decimalPosition = 0;
|
|
42
|
+
for (; i <= value.length; i++) {
|
|
43
|
+
if (i === value.length)
|
|
44
|
+
ascii = 13;
|
|
45
|
+
else
|
|
46
|
+
ascii = value.charCodeAt(i);
|
|
47
|
+
if (inComment) {
|
|
48
|
+
// we should ignore the text if we are after $$
|
|
49
|
+
if (ascii === 13 || ascii === 10) {
|
|
50
|
+
newLine = true;
|
|
51
|
+
inComment = false;
|
|
52
|
+
}
|
|
53
|
+
}
|
|
54
|
+
else {
|
|
55
|
+
// when is it a new value ?
|
|
56
|
+
// when it is not a digit, . or comma
|
|
57
|
+
// it is a number that is either new or we continue
|
|
58
|
+
if (ascii <= 57 && ascii >= 48) {
|
|
59
|
+
// a number
|
|
60
|
+
inValue = true;
|
|
61
|
+
if (decimalPosition > 0) {
|
|
62
|
+
currentValue += (ascii - 48) / Math.pow(10, decimalPosition++);
|
|
63
|
+
}
|
|
64
|
+
else {
|
|
65
|
+
currentValue *= 10;
|
|
66
|
+
currentValue += ascii - 48;
|
|
67
|
+
}
|
|
68
|
+
}
|
|
69
|
+
else if (ascii === 44 || ascii === 46) {
|
|
70
|
+
// a "," or "."
|
|
71
|
+
inValue = true;
|
|
72
|
+
decimalPosition++;
|
|
73
|
+
}
|
|
74
|
+
else {
|
|
75
|
+
if (inValue) {
|
|
76
|
+
// need to process the previous value
|
|
77
|
+
if (newLine) {
|
|
78
|
+
newLine = false; // we don't check the X value
|
|
79
|
+
// console.log("NEW LINE",isDifference, lastDifference);
|
|
80
|
+
// if new line and lastDifference, the first value is just a check !
|
|
81
|
+
// that we don't check ...
|
|
82
|
+
if (isLastDifference)
|
|
83
|
+
skipFirstValue = true;
|
|
84
|
+
}
|
|
85
|
+
else {
|
|
86
|
+
// need to deal with duplicate and differences
|
|
87
|
+
if (skipFirstValue) {
|
|
88
|
+
skipFirstValue = false;
|
|
89
|
+
}
|
|
90
|
+
else {
|
|
91
|
+
if (isDifference) {
|
|
92
|
+
lastDifference = isNegative ? 0 - currentValue : currentValue;
|
|
93
|
+
isLastDifference = true;
|
|
94
|
+
isDifference = false;
|
|
95
|
+
}
|
|
96
|
+
else if (!isDuplicate) {
|
|
97
|
+
lastValue = isNegative ? 0 - currentValue : currentValue;
|
|
98
|
+
}
|
|
99
|
+
let duplicate = isDuplicate ? currentValue - 1 : 1;
|
|
100
|
+
for (let j = 0; j < duplicate; j++) {
|
|
101
|
+
if (isLastDifference) {
|
|
102
|
+
currentY += lastDifference;
|
|
103
|
+
}
|
|
104
|
+
else {
|
|
105
|
+
currentY = lastValue;
|
|
106
|
+
}
|
|
107
|
+
currentData.x.push(currentX);
|
|
108
|
+
currentData.y.push(currentY * yFactor);
|
|
109
|
+
currentX += deltaX;
|
|
110
|
+
}
|
|
111
|
+
}
|
|
112
|
+
}
|
|
113
|
+
isNegative = false;
|
|
114
|
+
currentValue = 0;
|
|
115
|
+
decimalPosition = 0;
|
|
116
|
+
inValue = false;
|
|
117
|
+
isDuplicate = false;
|
|
118
|
+
}
|
|
119
|
+
// positive SQZ digits @ A B C D E F G H I (ascii 64-73)
|
|
120
|
+
if (ascii < 74 && ascii > 63) {
|
|
121
|
+
inValue = true;
|
|
122
|
+
isLastDifference = false;
|
|
123
|
+
currentValue = ascii - 64;
|
|
124
|
+
}
|
|
125
|
+
else if (ascii > 96 && ascii < 106) {
|
|
126
|
+
// negative SQZ digits a b c d e f g h i (ascii 97-105)
|
|
127
|
+
inValue = true;
|
|
128
|
+
isLastDifference = false;
|
|
129
|
+
currentValue = ascii - 96;
|
|
130
|
+
isNegative = true;
|
|
131
|
+
}
|
|
132
|
+
else if (ascii === 115) {
|
|
133
|
+
// DUP digits S T U V W X Y Z s (ascii 83-90, 115)
|
|
134
|
+
inValue = true;
|
|
135
|
+
isDuplicate = true;
|
|
136
|
+
currentValue = 9;
|
|
137
|
+
}
|
|
138
|
+
else if (ascii > 82 && ascii < 91) {
|
|
139
|
+
inValue = true;
|
|
140
|
+
isDuplicate = true;
|
|
141
|
+
currentValue = ascii - 82;
|
|
142
|
+
}
|
|
143
|
+
else if (ascii > 73 && ascii < 83) {
|
|
144
|
+
// positive DIF digits % J K L M N O P Q R (ascii 37, 74-82)
|
|
145
|
+
inValue = true;
|
|
146
|
+
isDifference = true;
|
|
147
|
+
currentValue = ascii - 73;
|
|
148
|
+
}
|
|
149
|
+
else if (ascii > 105 && ascii < 115) {
|
|
150
|
+
// negative DIF digits j k l m n o p q r (ascii 106-114)
|
|
151
|
+
inValue = true;
|
|
152
|
+
isDifference = true;
|
|
153
|
+
currentValue = ascii - 105;
|
|
154
|
+
isNegative = true;
|
|
155
|
+
}
|
|
156
|
+
else if (ascii === 36 && value.charCodeAt(i + 1) === 36) {
|
|
157
|
+
// $ sign, we need to check the next one
|
|
158
|
+
inValue = true;
|
|
159
|
+
inComment = true;
|
|
160
|
+
}
|
|
161
|
+
else if (ascii === 37) {
|
|
162
|
+
// positive DIF digits % J K L M N O P Q R (ascii 37, 74-82)
|
|
163
|
+
inValue = true;
|
|
164
|
+
isDifference = true;
|
|
165
|
+
currentValue = 0;
|
|
166
|
+
isNegative = false;
|
|
167
|
+
}
|
|
168
|
+
else if (ascii === 45) {
|
|
169
|
+
// a "-"
|
|
170
|
+
// check if after there is a number, decimal or comma
|
|
171
|
+
let ascii2 = value.charCodeAt(i + 1);
|
|
172
|
+
if ((ascii2 >= 48 && ascii2 <= 57) ||
|
|
173
|
+
ascii2 === 44 ||
|
|
174
|
+
ascii2 === 46) {
|
|
175
|
+
inValue = true;
|
|
176
|
+
if (!newLine)
|
|
177
|
+
isLastDifference = false;
|
|
178
|
+
isNegative = true;
|
|
179
|
+
}
|
|
180
|
+
}
|
|
181
|
+
else if (ascii === 13 || ascii === 10) {
|
|
182
|
+
newLine = true;
|
|
183
|
+
inComment = false;
|
|
184
|
+
}
|
|
185
|
+
// and now analyse the details ... space or tabulation
|
|
186
|
+
// if "+" we just don't care
|
|
187
|
+
}
|
|
188
|
+
}
|
|
189
|
+
}
|
|
190
|
+
}
|
|
191
|
+
exports.default = fastParseXYData;
|
|
192
|
+
//# sourceMappingURL=fastParseXYData.js.map
|
|
@@ -0,0 +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;YACL,IAAI,OAAO;gBAAE,MAAM;SACpB;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,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,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;AA5KD,kCA4KC"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"parsePeakTable.d.ts","sourceRoot":"","sources":["../../src/parse/parsePeakTable.js"],"names":[],"mappings":"AAGA,qFAeC"}
|
|
@@ -0,0 +1,67 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
+
const removeCommentRegExp = /\$\$.*/;
|
|
4
|
+
const peakTableSplitRegExp = /[,\t ]+/;
|
|
5
|
+
function parsePeakTable(spectrum, value, result) {
|
|
6
|
+
spectrum.isPeaktable = true;
|
|
7
|
+
if (!spectrum.variables || Object.keys(spectrum.variables) === 2) {
|
|
8
|
+
parseXY(spectrum, value, result);
|
|
9
|
+
}
|
|
10
|
+
else {
|
|
11
|
+
parseXYZ(spectrum, value, result);
|
|
12
|
+
}
|
|
13
|
+
// we will add the data in the variables
|
|
14
|
+
if (spectrum.variables) {
|
|
15
|
+
for (let key in spectrum.variables) {
|
|
16
|
+
spectrum.variables[key].data = spectrum.data[key];
|
|
17
|
+
}
|
|
18
|
+
}
|
|
19
|
+
}
|
|
20
|
+
exports.default = parsePeakTable;
|
|
21
|
+
function parseXY(spectrum, value, result) {
|
|
22
|
+
let currentData = { x: [], y: [] };
|
|
23
|
+
spectrum.data = currentData;
|
|
24
|
+
// counts for around 20% of the time
|
|
25
|
+
let lines = value.split(/,? *,?[;\r\n]+ */);
|
|
26
|
+
for (let i = 1; i < lines.length; i++) {
|
|
27
|
+
let values = lines[i]
|
|
28
|
+
.trim()
|
|
29
|
+
.replace(removeCommentRegExp, '')
|
|
30
|
+
.split(peakTableSplitRegExp);
|
|
31
|
+
if (values.length % 2 === 0) {
|
|
32
|
+
for (let j = 0; j < values.length; j = j + 2) {
|
|
33
|
+
// takes around 40% of the time to add and parse the 2 values nearly exclusively because of Number
|
|
34
|
+
currentData.x.push(Number(values[j]) * spectrum.xFactor);
|
|
35
|
+
currentData.y.push(Number(values[j + 1]) * spectrum.yFactor);
|
|
36
|
+
}
|
|
37
|
+
}
|
|
38
|
+
else {
|
|
39
|
+
result.logs.push(`Format error: ${values}`);
|
|
40
|
+
}
|
|
41
|
+
}
|
|
42
|
+
}
|
|
43
|
+
function parseXYZ(spectrum, value, result) {
|
|
44
|
+
let currentData = {};
|
|
45
|
+
let variables = Object.keys(spectrum.variables);
|
|
46
|
+
let numberOfVariables = variables.length;
|
|
47
|
+
variables.forEach((variable) => (currentData[variable] = []));
|
|
48
|
+
spectrum.data = currentData;
|
|
49
|
+
// counts for around 20% of the time
|
|
50
|
+
let lines = value.split(/,? *,?[;\r\n]+ */);
|
|
51
|
+
for (let i = 1; i < lines.length; i++) {
|
|
52
|
+
let values = lines[i]
|
|
53
|
+
.trim()
|
|
54
|
+
.replace(removeCommentRegExp, '')
|
|
55
|
+
.split(peakTableSplitRegExp);
|
|
56
|
+
if (values.length % numberOfVariables === 0) {
|
|
57
|
+
for (let j = 0; j < values.length; j++) {
|
|
58
|
+
// todo should try to find a xFactor (y, ...)
|
|
59
|
+
currentData[variables[j % numberOfVariables]].push(Number(values[j]));
|
|
60
|
+
}
|
|
61
|
+
}
|
|
62
|
+
else {
|
|
63
|
+
result.logs.push(`Format error: ${values}`);
|
|
64
|
+
}
|
|
65
|
+
}
|
|
66
|
+
}
|
|
67
|
+
//# sourceMappingURL=parsePeakTable.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"parsePeakTable.js","sourceRoot":"","sources":["../../src/parse/parsePeakTable.js"],"names":[],"mappings":";;AAAA,MAAM,mBAAmB,GAAG,QAAQ,CAAC;AACrC,MAAM,oBAAoB,GAAG,SAAS,CAAC;AAEvC,SAAwB,cAAc,CAAC,QAAQ,EAAE,KAAK,EAAE,MAAM;IAC5D,QAAQ,CAAC,WAAW,GAAG,IAAI,CAAC;IAE5B,IAAI,CAAC,QAAQ,CAAC,SAAS,IAAI,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,SAAS,CAAC,KAAK,CAAC,EAAE;QAChE,OAAO,CAAC,QAAQ,EAAE,KAAK,EAAE,MAAM,CAAC,CAAC;KAClC;SAAM;QACL,QAAQ,CAAC,QAAQ,EAAE,KAAK,EAAE,MAAM,CAAC,CAAC;KACnC;IAED,wCAAwC;IACxC,IAAI,QAAQ,CAAC,SAAS,EAAE;QACtB,KAAK,IAAI,GAAG,IAAI,QAAQ,CAAC,SAAS,EAAE;YAClC,QAAQ,CAAC,SAAS,CAAC,GAAG,CAAC,CAAC,IAAI,GAAG,QAAQ,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;SACnD;KACF;AACH,CAAC;AAfD,iCAeC;AAED,SAAS,OAAO,CAAC,QAAQ,EAAE,KAAK,EAAE,MAAM;IACtC,IAAI,WAAW,GAAG,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC;IACnC,QAAQ,CAAC,IAAI,GAAG,WAAW,CAAC;IAE5B,oCAAoC;IACpC,IAAI,KAAK,GAAG,KAAK,CAAC,KAAK,CAAC,kBAAkB,CAAC,CAAC;IAE5C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACrC,IAAI,MAAM,GAAG,KAAK,CAAC,CAAC,CAAC;aAClB,IAAI,EAAE;aACN,OAAO,CAAC,mBAAmB,EAAE,EAAE,CAAC;aAChC,KAAK,CAAC,oBAAoB,CAAC,CAAC;QAC/B,IAAI,MAAM,CAAC,MAAM,GAAG,CAAC,KAAK,CAAC,EAAE;YAC3B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE;gBAC5C,kGAAkG;gBAClG,WAAW,CAAC,CAAC,CAAC,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,GAAG,QAAQ,CAAC,OAAO,CAAC,CAAC;gBACzD,WAAW,CAAC,CAAC,CAAC,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,GAAG,QAAQ,CAAC,OAAO,CAAC,CAAC;aAC9D;SACF;aAAM;YACL,MAAM,CAAC,IAAI,CAAC,IAAI,CAAC,iBAAiB,MAAM,EAAE,CAAC,CAAC;SAC7C;KACF;AACH,CAAC;AAED,SAAS,QAAQ,CAAC,QAAQ,EAAE,KAAK,EAAE,MAAM;IACvC,IAAI,WAAW,GAAG,EAAE,CAAC;IACrB,IAAI,SAAS,GAAG,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,SAAS,CAAC,CAAC;IAChD,IAAI,iBAAiB,GAAG,SAAS,CAAC,MAAM,CAAC;IACzC,SAAS,CAAC,OAAO,CAAC,CAAC,QAAQ,EAAE,EAAE,CAAC,CAAC,WAAW,CAAC,QAAQ,CAAC,GAAG,EAAE,CAAC,CAAC,CAAC;IAC9D,QAAQ,CAAC,IAAI,GAAG,WAAW,CAAC;IAE5B,oCAAoC;IACpC,IAAI,KAAK,GAAG,KAAK,CAAC,KAAK,CAAC,kBAAkB,CAAC,CAAC;IAE5C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACrC,IAAI,MAAM,GAAG,KAAK,CAAC,CAAC,CAAC;aAClB,IAAI,EAAE;aACN,OAAO,CAAC,mBAAmB,EAAE,EAAE,CAAC;aAChC,KAAK,CAAC,oBAAoB,CAAC,CAAC;QAC/B,IAAI,MAAM,CAAC,MAAM,GAAG,iBAAiB,KAAK,CAAC,EAAE;YAC3C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;gBACtC,6CAA6C;gBAC7C,WAAW,CAAC,SAAS,CAAC,CAAC,GAAG,iBAAiB,CAAC,CAAC,CAAC,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;aACvE;SACF;aAAM;YACL,MAAM,CAAC,IAAI,CAAC,IAAI,CAAC,iBAAiB,MAAM,EAAE,CAAC,CAAC;SAC7C;KACF;AACH,CAAC"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"parseXYA.d.ts","sourceRoot":"","sources":["../../src/parse/parseXYA.js"],"names":[],"mappings":"AAAA,kEAeC"}
|
|
@@ -0,0 +1,17 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
+
function parseXYA(spectrum, value) {
|
|
4
|
+
let removeSymbolRegExp = /(\(+|\)+|<+|>+|\s+)/g;
|
|
5
|
+
spectrum.isXYAdata = true;
|
|
6
|
+
let values;
|
|
7
|
+
let currentData = { x: [], y: [] };
|
|
8
|
+
spectrum.data = currentData;
|
|
9
|
+
let lines = value.split(/,? *,?[;\r\n]+ */);
|
|
10
|
+
for (let i = 1; i < lines.length; i++) {
|
|
11
|
+
values = lines[i].trim().replace(removeSymbolRegExp, '').split(',');
|
|
12
|
+
currentData.x.push(Number(values[0]));
|
|
13
|
+
currentData.y.push(Number(values[1]));
|
|
14
|
+
}
|
|
15
|
+
}
|
|
16
|
+
exports.default = parseXYA;
|
|
17
|
+
//# sourceMappingURL=parseXYA.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"parseXYA.js","sourceRoot":"","sources":["../../src/parse/parseXYA.js"],"names":[],"mappings":";;AAAA,SAAwB,QAAQ,CAAC,QAAQ,EAAE,KAAK;IAC9C,IAAI,kBAAkB,GAAG,sBAAsB,CAAC;IAEhD,QAAQ,CAAC,SAAS,GAAG,IAAI,CAAC;IAC1B,IAAI,MAAM,CAAC;IACX,IAAI,WAAW,GAAG,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC;IACnC,QAAQ,CAAC,IAAI,GAAG,WAAW,CAAC;IAE5B,IAAI,KAAK,GAAG,KAAK,CAAC,KAAK,CAAC,kBAAkB,CAAC,CAAC;IAE5C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACrC,MAAM,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC,OAAO,CAAC,kBAAkB,EAAE,EAAE,CAAC,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC;QACpE,WAAW,CAAC,CAAC,CAAC,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;QACtC,WAAW,CAAC,CAAC,CAAC,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;KACvC;AACH,CAAC;AAfD,2BAeC"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"postProcessing.d.ts","sourceRoot":"","sources":["../src/postProcessing.js"],"names":[],"mappings":"AAMA,0FAyCC"}
|
|
@@ -0,0 +1,50 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
var __importDefault = (this && this.__importDefault) || function (mod) {
|
|
3
|
+
return (mod && mod.__esModule) ? mod : { "default": mod };
|
|
4
|
+
};
|
|
5
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
6
|
+
const add2D_1 = __importDefault(require("./2d/add2D"));
|
|
7
|
+
const complexChromatogram_1 = require("./complexChromatogram");
|
|
8
|
+
const postProcessingNMR_1 = __importDefault(require("./postProcessingNMR"));
|
|
9
|
+
const profiling_1 = __importDefault(require("./profiling"));
|
|
10
|
+
const simpleChromatogram_1 = __importDefault(require("./simpleChromatogram"));
|
|
11
|
+
function postProcessing(entriesFlat, result, options) {
|
|
12
|
+
// converting Hz to ppm
|
|
13
|
+
(0, postProcessingNMR_1.default)(entriesFlat);
|
|
14
|
+
for (let entry of entriesFlat) {
|
|
15
|
+
if (Object.keys(entry.ntuples).length > 0) {
|
|
16
|
+
let newNtuples = [];
|
|
17
|
+
let keys = Object.keys(entry.ntuples);
|
|
18
|
+
for (let i = 0; i < keys.length; i++) {
|
|
19
|
+
let key = keys[i];
|
|
20
|
+
let values = entry.ntuples[key];
|
|
21
|
+
for (let j = 0; j < values.length; j++) {
|
|
22
|
+
if (!newNtuples[j])
|
|
23
|
+
newNtuples[j] = {};
|
|
24
|
+
newNtuples[j][key] = values[j];
|
|
25
|
+
}
|
|
26
|
+
}
|
|
27
|
+
entry.ntuples = newNtuples;
|
|
28
|
+
}
|
|
29
|
+
if (entry.twoD && options.wantXY) {
|
|
30
|
+
(0, add2D_1.default)(entry, options);
|
|
31
|
+
(0, profiling_1.default)(result, 'Finished countour plot calculation', options);
|
|
32
|
+
if (!options.keepSpectra) {
|
|
33
|
+
delete entry.spectra;
|
|
34
|
+
}
|
|
35
|
+
}
|
|
36
|
+
// maybe it is a GC (HPLC) / MS. In this case we add a new format
|
|
37
|
+
if (options.chromatogram) {
|
|
38
|
+
if (entry.spectra.length > 1) {
|
|
39
|
+
(0, complexChromatogram_1.complexChromatogram)(entry);
|
|
40
|
+
}
|
|
41
|
+
else {
|
|
42
|
+
(0, simpleChromatogram_1.default)(entry);
|
|
43
|
+
}
|
|
44
|
+
(0, profiling_1.default)(result, 'Finished chromatogram calculation', options);
|
|
45
|
+
}
|
|
46
|
+
delete entry.tmp;
|
|
47
|
+
}
|
|
48
|
+
}
|
|
49
|
+
exports.default = postProcessing;
|
|
50
|
+
//# sourceMappingURL=postProcessing.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"postProcessing.js","sourceRoot":"","sources":["../src/postProcessing.js"],"names":[],"mappings":";;;;;AAAA,uDAA+B;AAC/B,+DAA4D;AAC5D,4EAAoD;AACpD,4DAAoC;AACpC,8EAAsD;AAEtD,SAAwB,cAAc,CAAC,WAAW,EAAE,MAAM,EAAE,OAAO;IACjE,uBAAuB;IACvB,IAAA,2BAAiB,EAAC,WAAW,CAAC,CAAC;IAE/B,KAAK,IAAI,KAAK,IAAI,WAAW,EAAE;QAC7B,IAAI,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,MAAM,GAAG,CAAC,EAAE;YACzC,IAAI,UAAU,GAAG,EAAE,CAAC;YACpB,IAAI,IAAI,GAAG,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC;YACtC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;gBACpC,IAAI,GAAG,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;gBAClB,IAAI,MAAM,GAAG,KAAK,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC;gBAChC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;oBACtC,IAAI,CAAC,UAAU,CAAC,CAAC,CAAC;wBAAE,UAAU,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC;oBACvC,UAAU,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;iBAChC;aACF;YACD,KAAK,CAAC,OAAO,GAAG,UAAU,CAAC;SAC5B;QAED,IAAI,KAAK,CAAC,IAAI,IAAI,OAAO,CAAC,MAAM,EAAE;YAChC,IAAA,eAAK,EAAC,KAAK,EAAE,OAAO,CAAC,CAAC;YAEtB,IAAA,mBAAS,EAAC,MAAM,EAAE,oCAAoC,EAAE,OAAO,CAAC,CAAC;YAEjE,IAAI,CAAC,OAAO,CAAC,WAAW,EAAE;gBACxB,OAAO,KAAK,CAAC,OAAO,CAAC;aACtB;SACF;QAED,iEAAiE;QACjE,IAAI,OAAO,CAAC,YAAY,EAAE;YACxB,IAAI,KAAK,CAAC,OAAO,CAAC,MAAM,GAAG,CAAC,EAAE;gBAC5B,IAAA,yCAAmB,EAAC,KAAK,CAAC,CAAC;aAC5B;iBAAM;gBACL,IAAA,4BAAkB,EAAC,KAAK,CAAC,CAAC;aAC3B;YACD,IAAA,mBAAS,EAAC,MAAM,EAAE,mCAAmC,EAAE,OAAO,CAAC,CAAC;SACjE;QAED,OAAO,KAAK,CAAC,GAAG,CAAC;KAClB;AACH,CAAC;AAzCD,iCAyCC"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"postProcessingNMR.d.ts","sourceRoot":"","sources":["../src/postProcessingNMR.js"],"names":[],"mappings":"AAEA,kEA4FC"}
|
|
@@ -0,0 +1,94 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
+
const nmr_processing_1 = require("nmr-processing");
|
|
4
|
+
function postProcessingNMR(entriesFlat) {
|
|
5
|
+
// specific NMR functions
|
|
6
|
+
for (let entry of entriesFlat) {
|
|
7
|
+
let observeFrequency = 0;
|
|
8
|
+
let shiftOffsetVal = 0;
|
|
9
|
+
for (let spectrum of entry.spectra) {
|
|
10
|
+
if (entry.ntuples && entry.ntuples.symbol) {
|
|
11
|
+
if (!observeFrequency && spectrum.observeFrequency) {
|
|
12
|
+
observeFrequency = spectrum.observeFrequency;
|
|
13
|
+
}
|
|
14
|
+
if (!shiftOffsetVal && spectrum.shiftOffsetVal) {
|
|
15
|
+
shiftOffsetVal = spectrum.shiftOffsetVal;
|
|
16
|
+
}
|
|
17
|
+
}
|
|
18
|
+
else {
|
|
19
|
+
observeFrequency = spectrum.observeFrequency;
|
|
20
|
+
shiftOffsetVal = spectrum.shiftOffsetVal;
|
|
21
|
+
}
|
|
22
|
+
if (observeFrequency) {
|
|
23
|
+
if (spectrum.xUnits && spectrum.xUnits.toUpperCase().includes('HZ')) {
|
|
24
|
+
spectrum.xUnits = 'PPM';
|
|
25
|
+
spectrum.xFactor = spectrum.xFactor / observeFrequency;
|
|
26
|
+
spectrum.firstX = spectrum.firstX / observeFrequency;
|
|
27
|
+
spectrum.lastX = spectrum.lastX / observeFrequency;
|
|
28
|
+
spectrum.deltaX = spectrum.deltaX / observeFrequency;
|
|
29
|
+
for (let i = 0; i < spectrum.data.x.length; i++) {
|
|
30
|
+
spectrum.data.x[i] /= observeFrequency;
|
|
31
|
+
}
|
|
32
|
+
}
|
|
33
|
+
}
|
|
34
|
+
if (shiftOffsetVal) {
|
|
35
|
+
let shift = spectrum.firstX - shiftOffsetVal;
|
|
36
|
+
spectrum.firstX = spectrum.firstX - shift;
|
|
37
|
+
spectrum.lastX = spectrum.lastX - shift;
|
|
38
|
+
for (let i = 0; i < spectrum.data.x.length; i++) {
|
|
39
|
+
spectrum.data.x[i] -= shift;
|
|
40
|
+
}
|
|
41
|
+
}
|
|
42
|
+
// we will check if some nucleus are missing ...
|
|
43
|
+
if (entry.ntuples && entry.ntuples.nucleus && entry.ntuples.symbol) {
|
|
44
|
+
for (let i = 0; i < entry.ntuples.nucleus.length; i++) {
|
|
45
|
+
let symbol = entry.ntuples.symbol[i];
|
|
46
|
+
let nucleus = entry.ntuples.nucleus[i];
|
|
47
|
+
if (symbol.startsWith('F') && !nucleus) {
|
|
48
|
+
if (symbol === 'F1') {
|
|
49
|
+
// if F1 is defined we will use F2
|
|
50
|
+
if (entry.tmp.$NUC2) {
|
|
51
|
+
entry.ntuples.nucleus[i] = entry.tmp.$NUC2;
|
|
52
|
+
}
|
|
53
|
+
else {
|
|
54
|
+
let f2index = entry.ntuples.symbol.indexOf('F2');
|
|
55
|
+
if (f2index && entry.ntuples.nucleus[f2index]) {
|
|
56
|
+
entry.ntuples.nucleus[i] = entry.ntuples.nucleus[f2index];
|
|
57
|
+
}
|
|
58
|
+
}
|
|
59
|
+
}
|
|
60
|
+
if (symbol === 'F2')
|
|
61
|
+
entry.ntuples.nucleus[i] = entry.tmp.$NUC1;
|
|
62
|
+
}
|
|
63
|
+
if (symbol === 'F2') {
|
|
64
|
+
entry.yType = entry.ntuples.nucleus[0];
|
|
65
|
+
}
|
|
66
|
+
}
|
|
67
|
+
}
|
|
68
|
+
if (observeFrequency &&
|
|
69
|
+
entry.ntuples &&
|
|
70
|
+
entry.ntuples.symbol &&
|
|
71
|
+
entry.ntuples.nucleus) {
|
|
72
|
+
let unit = '';
|
|
73
|
+
let pageSymbolIndex = entry.ntuples.symbol.indexOf(spectrum.pageSymbol);
|
|
74
|
+
if (entry.ntuples.units && entry.ntuples.units[pageSymbolIndex]) {
|
|
75
|
+
unit = entry.ntuples.units[pageSymbolIndex];
|
|
76
|
+
}
|
|
77
|
+
if (unit !== 'PPM') {
|
|
78
|
+
if (pageSymbolIndex !== 0) {
|
|
79
|
+
throw Error('Not sure about this ntuples format');
|
|
80
|
+
}
|
|
81
|
+
let ratio0 = nmr_processing_1.gyromagneticRatio[entry.ntuples.nucleus[0]];
|
|
82
|
+
let ratio1 = nmr_processing_1.gyromagneticRatio[entry.ntuples.nucleus[1]];
|
|
83
|
+
if (!ratio0 || !ratio1) {
|
|
84
|
+
throw Error('Problem with determination of gyromagnetic ratio');
|
|
85
|
+
}
|
|
86
|
+
let ratio = (ratio0 / ratio1) * observeFrequency;
|
|
87
|
+
spectrum.pageValue /= ratio;
|
|
88
|
+
}
|
|
89
|
+
}
|
|
90
|
+
}
|
|
91
|
+
}
|
|
92
|
+
}
|
|
93
|
+
exports.default = postProcessingNMR;
|
|
94
|
+
//# sourceMappingURL=postProcessingNMR.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"postProcessingNMR.js","sourceRoot":"","sources":["../src/postProcessingNMR.js"],"names":[],"mappings":";;AAAA,mDAAmD;AAEnD,SAAwB,iBAAiB,CAAC,WAAW;IACnD,yBAAyB;IAEzB,KAAK,IAAI,KAAK,IAAI,WAAW,EAAE;QAC7B,IAAI,gBAAgB,GAAG,CAAC,CAAC;QACzB,IAAI,cAAc,GAAG,CAAC,CAAC;QACvB,KAAK,IAAI,QAAQ,IAAI,KAAK,CAAC,OAAO,EAAE;YAClC,IAAI,KAAK,CAAC,OAAO,IAAI,KAAK,CAAC,OAAO,CAAC,MAAM,EAAE;gBACzC,IAAI,CAAC,gBAAgB,IAAI,QAAQ,CAAC,gBAAgB,EAAE;oBAClD,gBAAgB,GAAG,QAAQ,CAAC,gBAAgB,CAAC;iBAC9C;gBACD,IAAI,CAAC,cAAc,IAAI,QAAQ,CAAC,cAAc,EAAE;oBAC9C,cAAc,GAAG,QAAQ,CAAC,cAAc,CAAC;iBAC1C;aACF;iBAAM;gBACL,gBAAgB,GAAG,QAAQ,CAAC,gBAAgB,CAAC;gBAC7C,cAAc,GAAG,QAAQ,CAAC,cAAc,CAAC;aAC1C;YAED,IAAI,gBAAgB,EAAE;gBACpB,IAAI,QAAQ,CAAC,MAAM,IAAI,QAAQ,CAAC,MAAM,CAAC,WAAW,EAAE,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE;oBACnE,QAAQ,CAAC,MAAM,GAAG,KAAK,CAAC;oBACxB,QAAQ,CAAC,OAAO,GAAG,QAAQ,CAAC,OAAO,GAAG,gBAAgB,CAAC;oBACvD,QAAQ,CAAC,MAAM,GAAG,QAAQ,CAAC,MAAM,GAAG,gBAAgB,CAAC;oBACrD,QAAQ,CAAC,KAAK,GAAG,QAAQ,CAAC,KAAK,GAAG,gBAAgB,CAAC;oBACnD,QAAQ,CAAC,MAAM,GAAG,QAAQ,CAAC,MAAM,GAAG,gBAAgB,CAAC;oBACrD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;wBAC/C,QAAQ,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,IAAI,gBAAgB,CAAC;qBACxC;iBACF;aACF;YACD,IAAI,cAAc,EAAE;gBAClB,IAAI,KAAK,GAAG,QAAQ,CAAC,MAAM,GAAG,cAAc,CAAC;gBAC7C,QAAQ,CAAC,MAAM,GAAG,QAAQ,CAAC,MAAM,GAAG,KAAK,CAAC;gBAC1C,QAAQ,CAAC,KAAK,GAAG,QAAQ,CAAC,KAAK,GAAG,KAAK,CAAC;gBACxC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;oBAC/C,QAAQ,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,IAAI,KAAK,CAAC;iBAC7B;aACF;YAED,gDAAgD;YAChD,IAAI,KAAK,CAAC,OAAO,IAAI,KAAK,CAAC,OAAO,CAAC,OAAO,IAAI,KAAK,CAAC,OAAO,CAAC,MAAM,EAAE;gBAClE,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;oBACrD,IAAI,MAAM,GAAG,KAAK,CAAC,OAAO,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC;oBACrC,IAAI,OAAO,GAAG,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;oBACvC,IAAI,MAAM,CAAC,UAAU,CAAC,GAAG,CAAC,IAAI,CAAC,OAAO,EAAE;wBACtC,IAAI,MAAM,KAAK,IAAI,EAAE;4BACnB,kCAAkC;4BAClC,IAAI,KAAK,CAAC,GAAG,CAAC,KAAK,EAAE;gCACnB,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC,GAAG,KAAK,CAAC,GAAG,CAAC,KAAK,CAAC;6BAC5C;iCAAM;gCACL,IAAI,OAAO,GAAG,KAAK,CAAC,OAAO,CAAC,MAAM,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC;gCACjD,IAAI,OAAO,IAAI,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,OAAO,CAAC,EAAE;oCAC7C,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC,GAAG,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;iCAC3D;6BACF;yBACF;wBACD,IAAI,MAAM,KAAK,IAAI;4BAAE,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC,GAAG,KAAK,CAAC,GAAG,CAAC,KAAK,CAAC;qBACjE;oBACD,IAAI,MAAM,KAAK,IAAI,EAAE;wBACnB,KAAK,CAAC,KAAK,GAAG,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;qBACxC;iBACF;aACF;YAED,IACE,gBAAgB;gBAChB,KAAK,CAAC,OAAO;gBACb,KAAK,CAAC,OAAO,CAAC,MAAM;gBACpB,KAAK,CAAC,OAAO,CAAC,OAAO,EACrB;gBACA,IAAI,IAAI,GAAG,EAAE,CAAC;gBACd,IAAI,eAAe,GAAG,KAAK,CAAC,OAAO,CAAC,MAAM,CAAC,OAAO,CAAC,QAAQ,CAAC,UAAU,CAAC,CAAC;gBACxE,IAAI,KAAK,CAAC,OAAO,CAAC,KAAK,IAAI,KAAK,CAAC,OAAO,CAAC,KAAK,CAAC,eAAe,CAAC,EAAE;oBAC/D,IAAI,GAAG,KAAK,CAAC,OAAO,CAAC,KAAK,CAAC,eAAe,CAAC,CAAC;iBAC7C;gBACD,IAAI,IAAI,KAAK,KAAK,EAAE;oBAClB,IAAI,eAAe,KAAK,CAAC,EAAE;wBACzB,MAAM,KAAK,CAAC,oCAAoC,CAAC,CAAC;qBACnD;oBAED,IAAI,MAAM,GAAG,kCAAiB,CAAC,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC;oBACzD,IAAI,MAAM,GAAG,kCAAiB,CAAC,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC;oBACzD,IAAI,CAAC,MAAM,IAAI,CAAC,MAAM,EAAE;wBACtB,MAAM,KAAK,CAAC,kDAAkD,CAAC,CAAC;qBACjE;oBACD,IAAI,KAAK,GAAG,CAAC,MAAM,GAAG,MAAM,CAAC,GAAG,gBAAgB,CAAC;oBACjD,QAAQ,CAAC,SAAS,IAAI,KAAK,CAAC;iBAC7B;aACF;SACF;KACF;AACH,CAAC;AA5FD,oCA4FC"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"prepareNtuplesDatatable.d.ts","sourceRoot":"","sources":["../src/prepareNtuplesDatatable.js"],"names":[],"mappings":"AAAA,mGAoFC"}
|
|
@@ -0,0 +1,87 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
+
function prepareNtuplesDatatable(currentEntry, spectrum, kind) {
|
|
4
|
+
let xIndex = -1;
|
|
5
|
+
let yIndex = -1;
|
|
6
|
+
let firstVariable = '';
|
|
7
|
+
let secondVariable = '';
|
|
8
|
+
if (kind.indexOf('++') > 0) {
|
|
9
|
+
firstVariable = kind.replace(/.*\(([a-zA-Z0-9]+)\+\+.*/, '$1');
|
|
10
|
+
secondVariable = kind.replace(/.*\.\.([a-zA-Z0-9]+).*/, '$1');
|
|
11
|
+
}
|
|
12
|
+
else {
|
|
13
|
+
kind = kind.replace(/[^a-zA-Z]/g, '');
|
|
14
|
+
firstVariable = kind.charAt(0);
|
|
15
|
+
secondVariable = kind.charAt(1);
|
|
16
|
+
spectrum.variables = {};
|
|
17
|
+
for (let symbol of kind) {
|
|
18
|
+
let lowerCaseSymbol = symbol.toLowerCase();
|
|
19
|
+
let index = currentEntry.ntuples.symbol.indexOf(symbol);
|
|
20
|
+
if (index === -1)
|
|
21
|
+
throw Error(`Symbol undefined: ${symbol}`);
|
|
22
|
+
spectrum.variables[lowerCaseSymbol] = {};
|
|
23
|
+
for (let key in currentEntry.ntuples) {
|
|
24
|
+
if (currentEntry.ntuples[key][index]) {
|
|
25
|
+
spectrum.variables[lowerCaseSymbol][key.replace(/^var/, '')] =
|
|
26
|
+
currentEntry.ntuples[key][index];
|
|
27
|
+
}
|
|
28
|
+
}
|
|
29
|
+
}
|
|
30
|
+
}
|
|
31
|
+
xIndex = currentEntry.ntuples.symbol.indexOf(firstVariable);
|
|
32
|
+
yIndex = currentEntry.ntuples.symbol.indexOf(secondVariable);
|
|
33
|
+
if (xIndex === -1)
|
|
34
|
+
xIndex = 0;
|
|
35
|
+
if (yIndex === -1)
|
|
36
|
+
yIndex = 0;
|
|
37
|
+
if (currentEntry.ntuples.first) {
|
|
38
|
+
if (currentEntry.ntuples.first.length > xIndex) {
|
|
39
|
+
spectrum.firstX = currentEntry.ntuples.first[xIndex];
|
|
40
|
+
}
|
|
41
|
+
if (currentEntry.ntuples.first.length > yIndex) {
|
|
42
|
+
spectrum.firstY = currentEntry.ntuples.first[yIndex];
|
|
43
|
+
}
|
|
44
|
+
}
|
|
45
|
+
if (currentEntry.ntuples.last) {
|
|
46
|
+
if (currentEntry.ntuples.last.length > xIndex) {
|
|
47
|
+
spectrum.lastX = currentEntry.ntuples.last[xIndex];
|
|
48
|
+
}
|
|
49
|
+
if (currentEntry.ntuples.last.length > yIndex) {
|
|
50
|
+
spectrum.lastY = currentEntry.ntuples.last[yIndex];
|
|
51
|
+
}
|
|
52
|
+
}
|
|
53
|
+
if (currentEntry.ntuples.vardim &&
|
|
54
|
+
currentEntry.ntuples.vardim.length > xIndex) {
|
|
55
|
+
spectrum.nbPoints = currentEntry.ntuples.vardim[xIndex];
|
|
56
|
+
}
|
|
57
|
+
if (currentEntry.ntuples.factor) {
|
|
58
|
+
if (currentEntry.ntuples.factor.length > xIndex) {
|
|
59
|
+
spectrum.xFactor = currentEntry.ntuples.factor[xIndex];
|
|
60
|
+
}
|
|
61
|
+
if (currentEntry.ntuples.factor.length > yIndex) {
|
|
62
|
+
spectrum.yFactor = currentEntry.ntuples.factor[yIndex];
|
|
63
|
+
}
|
|
64
|
+
}
|
|
65
|
+
if (currentEntry.ntuples.units) {
|
|
66
|
+
if (currentEntry.ntuples.units.length > xIndex) {
|
|
67
|
+
if (currentEntry.ntuples.varname &&
|
|
68
|
+
currentEntry.ntuples.varname[xIndex]) {
|
|
69
|
+
spectrum.xUnits = `${currentEntry.ntuples.varname[xIndex]} [${currentEntry.ntuples.units[xIndex]}]`;
|
|
70
|
+
}
|
|
71
|
+
else {
|
|
72
|
+
spectrum.xUnits = currentEntry.ntuples.units[xIndex];
|
|
73
|
+
}
|
|
74
|
+
}
|
|
75
|
+
if (currentEntry.ntuples.units.length > yIndex) {
|
|
76
|
+
if (currentEntry.ntuples.varname &&
|
|
77
|
+
currentEntry.ntuples.varname[yIndex]) {
|
|
78
|
+
spectrum.yUnits = `${currentEntry.ntuples.varname[yIndex]} [${currentEntry.ntuples.units[yIndex]}]`;
|
|
79
|
+
}
|
|
80
|
+
else {
|
|
81
|
+
spectrum.yUnits = currentEntry.ntuples.units[yIndex];
|
|
82
|
+
}
|
|
83
|
+
}
|
|
84
|
+
}
|
|
85
|
+
}
|
|
86
|
+
exports.default = prepareNtuplesDatatable;
|
|
87
|
+
//# sourceMappingURL=prepareNtuplesDatatable.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"prepareNtuplesDatatable.js","sourceRoot":"","sources":["../src/prepareNtuplesDatatable.js"],"names":[],"mappings":";;AAAA,SAAwB,uBAAuB,CAAC,YAAY,EAAE,QAAQ,EAAE,IAAI;IAC1E,IAAI,MAAM,GAAG,CAAC,CAAC,CAAC;IAChB,IAAI,MAAM,GAAG,CAAC,CAAC,CAAC;IAChB,IAAI,aAAa,GAAG,EAAE,CAAC;IACvB,IAAI,cAAc,GAAG,EAAE,CAAC;IACxB,IAAI,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE;QAC1B,aAAa,GAAG,IAAI,CAAC,OAAO,CAAC,0BAA0B,EAAE,IAAI,CAAC,CAAC;QAC/D,cAAc,GAAG,IAAI,CAAC,OAAO,CAAC,wBAAwB,EAAE,IAAI,CAAC,CAAC;KAC/D;SAAM;QACL,IAAI,GAAG,IAAI,CAAC,OAAO,CAAC,YAAY,EAAE,EAAE,CAAC,CAAC;QACtC,aAAa,GAAG,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC;QAC/B,cAAc,GAAG,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC;QAChC,QAAQ,CAAC,SAAS,GAAG,EAAE,CAAC;QACxB,KAAK,IAAI,MAAM,IAAI,IAAI,EAAE;YACvB,IAAI,eAAe,GAAG,MAAM,CAAC,WAAW,EAAE,CAAC;YAC3C,IAAI,KAAK,GAAG,YAAY,CAAC,OAAO,CAAC,MAAM,CAAC,OAAO,CAAC,MAAM,CAAC,CAAC;YACxD,IAAI,KAAK,KAAK,CAAC,CAAC;gBAAE,MAAM,KAAK,CAAC,qBAAqB,MAAM,EAAE,CAAC,CAAC;YAC7D,QAAQ,CAAC,SAAS,CAAC,eAAe,CAAC,GAAG,EAAE,CAAC;YACzC,KAAK,IAAI,GAAG,IAAI,YAAY,CAAC,OAAO,EAAE;gBACpC,IAAI,YAAY,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,KAAK,CAAC,EAAE;oBACpC,QAAQ,CAAC,SAAS,CAAC,eAAe,CAAC,CAAC,GAAG,CAAC,OAAO,CAAC,MAAM,EAAE,EAAE,CAAC,CAAC;wBAC1D,YAAY,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,KAAK,CAAC,CAAC;iBACpC;aACF;SACF;KACF;IACD,MAAM,GAAG,YAAY,CAAC,OAAO,CAAC,MAAM,CAAC,OAAO,CAAC,aAAa,CAAC,CAAC;IAC5D,MAAM,GAAG,YAAY,CAAC,OAAO,CAAC,MAAM,CAAC,OAAO,CAAC,cAAc,CAAC,CAAC;IAE7D,IAAI,MAAM,KAAK,CAAC,CAAC;QAAE,MAAM,GAAG,CAAC,CAAC;IAC9B,IAAI,MAAM,KAAK,CAAC,CAAC;QAAE,MAAM,GAAG,CAAC,CAAC;IAE9B,IAAI,YAAY,CAAC,OAAO,CAAC,KAAK,EAAE;QAC9B,IAAI,YAAY,CAAC,OAAO,CAAC,KAAK,CAAC,MAAM,GAAG,MAAM,EAAE;YAC9C,QAAQ,CAAC,MAAM,GAAG,YAAY,CAAC,OAAO,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;SACtD;QACD,IAAI,YAAY,CAAC,OAAO,CAAC,KAAK,CAAC,MAAM,GAAG,MAAM,EAAE;YAC9C,QAAQ,CAAC,MAAM,GAAG,YAAY,CAAC,OAAO,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;SACtD;KACF;IACD,IAAI,YAAY,CAAC,OAAO,CAAC,IAAI,EAAE;QAC7B,IAAI,YAAY,CAAC,OAAO,CAAC,IAAI,CAAC,MAAM,GAAG,MAAM,EAAE;YAC7C,QAAQ,CAAC,KAAK,GAAG,YAAY,CAAC,OAAO,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;SACpD;QACD,IAAI,YAAY,CAAC,OAAO,CAAC,IAAI,CAAC,MAAM,GAAG,MAAM,EAAE;YAC7C,QAAQ,CAAC,KAAK,GAAG,YAAY,CAAC,OAAO,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;SACpD;KACF;IACD,IACE,YAAY,CAAC,OAAO,CAAC,MAAM;QAC3B,YAAY,CAAC,OAAO,CAAC,MAAM,CAAC,MAAM,GAAG,MAAM,EAC3C;QACA,QAAQ,CAAC,QAAQ,GAAG,YAAY,CAAC,OAAO,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;KACzD;IACD,IAAI,YAAY,CAAC,OAAO,CAAC,MAAM,EAAE;QAC/B,IAAI,YAAY,CAAC,OAAO,CAAC,MAAM,CAAC,MAAM,GAAG,MAAM,EAAE;YAC/C,QAAQ,CAAC,OAAO,GAAG,YAAY,CAAC,OAAO,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;SACxD;QACD,IAAI,YAAY,CAAC,OAAO,CAAC,MAAM,CAAC,MAAM,GAAG,MAAM,EAAE;YAC/C,QAAQ,CAAC,OAAO,GAAG,YAAY,CAAC,OAAO,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;SACxD;KACF;IACD,IAAI,YAAY,CAAC,OAAO,CAAC,KAAK,EAAE;QAC9B,IAAI,YAAY,CAAC,OAAO,CAAC,KAAK,CAAC,MAAM,GAAG,MAAM,EAAE;YAC9C,IACE,YAAY,CAAC,OAAO,CAAC,OAAO;gBAC5B,YAAY,CAAC,OAAO,CAAC,OAAO,CAAC,MAAM,CAAC,EACpC;gBACA,QAAQ,CAAC,MAAM,GAAG,GAAG,YAAY,CAAC,OAAO,CAAC,OAAO,CAAC,MAAM,CAAC,KAAK,YAAY,CAAC,OAAO,CAAC,KAAK,CAAC,MAAM,CAAC,GAAG,CAAC;aACrG;iBAAM;gBACL,QAAQ,CAAC,MAAM,GAAG,YAAY,CAAC,OAAO,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;aACtD;SACF;QACD,IAAI,YAAY,CAAC,OAAO,CAAC,KAAK,CAAC,MAAM,GAAG,MAAM,EAAE;YAC9C,IACE,YAAY,CAAC,OAAO,CAAC,OAAO;gBAC5B,YAAY,CAAC,OAAO,CAAC,OAAO,CAAC,MAAM,CAAC,EACpC;gBACA,QAAQ,CAAC,MAAM,GAAG,GAAG,YAAY,CAAC,OAAO,CAAC,OAAO,CAAC,MAAM,CAAC,KAAK,YAAY,CAAC,OAAO,CAAC,KAAK,CAAC,MAAM,CAAC,GAAG,CAAC;aACrG;iBAAM;gBACL,QAAQ,CAAC,MAAM,GAAG,YAAY,CAAC,OAAO,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;aACtD;SACF;KACF;AACH,CAAC;AApFD,0CAoFC"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"prepareSpectrum.d.ts","sourceRoot":"","sources":["../src/prepareSpectrum.js"],"names":[],"mappings":"AAAA,6DAGC"}
|
|
@@ -0,0 +1,10 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
+
function prepareSpectrum(spectrum) {
|
|
4
|
+
if (!spectrum.xFactor)
|
|
5
|
+
spectrum.xFactor = 1;
|
|
6
|
+
if (!spectrum.yFactor)
|
|
7
|
+
spectrum.yFactor = 1;
|
|
8
|
+
}
|
|
9
|
+
exports.default = prepareSpectrum;
|
|
10
|
+
//# sourceMappingURL=prepareSpectrum.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"prepareSpectrum.js","sourceRoot":"","sources":["../src/prepareSpectrum.js"],"names":[],"mappings":";;AAAA,SAAwB,eAAe,CAAC,QAAQ;IAC9C,IAAI,CAAC,QAAQ,CAAC,OAAO;QAAE,QAAQ,CAAC,OAAO,GAAG,CAAC,CAAC;IAC5C,IAAI,CAAC,QAAQ,CAAC,OAAO;QAAE,QAAQ,CAAC,OAAO,GAAG,CAAC,CAAC;AAC9C,CAAC;AAHD,kCAGC"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"profiling.d.ts","sourceRoot":"","sources":["../src/profiling.js"],"names":[],"mappings":"AAAA,gFAOC"}
|