jcampconverter 8.2.5 → 8.3.0
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/convert.d.ts.map +1 -1
- package/lib/convert.js +8 -4
- package/lib/convert.js.map +1 -1
- package/lib-esm/convert.d.ts.map +1 -1
- package/lib-esm/convert.js +8 -4
- package/lib-esm/convert.js.map +1 -1
- package/package.json +6 -6
- package/src/convert.js +8 -4
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;;;;;;;;;;;GAWG;AAEH;;;;;;;GAOG;AAEH;;;;;;GAMG;AAEH,+BALW,MAAM,GAAC,WAAW,GAAC,UAAU,yCAE3B,aAAa,
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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;;;;;;;;;;;GAWG;AAEH;;;;;;;GAOG;AAEH;;;;;;GAMG;AAEH,+BALW,MAAM,GAAC,WAAW,GAAC,UAAU,yCAE3B,aAAa,CAmSzB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;uBAxUa,OAAO,MAAM,EAAE,GAAG,CAAC;;aAanB,QAAQ,EAAE;aACV,OAAO;UACP,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
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@@ -143,8 +143,10 @@ function convert(jcamp, options = {}) {
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143
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else if (infos[1] &&
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(infos[1].indexOf('XYDATA') || infos[0].indexOf('++') > 0)) {
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canonicDataLabel = 'XYDATA';
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146
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-
spectrum.
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147
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-
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146
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+
if (spectrum.nbPoints) {
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147
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+
spectrum.deltaX =
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148
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(spectrum.lastX - spectrum.firstX) / (spectrum.nbPoints - 1);
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149
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+
}
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}
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}
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}
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@@ -154,8 +156,10 @@ function convert(jcamp, options = {}) {
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// well apparently we should still consider it is a PEAK TABLE if there are no '++' after
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if (dataValue.match(/.*\+\+.*/)) {
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156
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// ex: (X++(Y..Y))
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157
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-
spectrum.
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158
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-
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159
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+
if (spectrum.nbPoints) {
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160
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+
spectrum.deltaX =
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161
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(spectrum.lastX - spectrum.firstX) / (spectrum.nbPoints - 1);
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162
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+
}
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159
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(0, fastParseXYData_1.default)(spectrum, dataValue, result);
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160
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}
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else {
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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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AC,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"}
|
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;;;;;;;;;;;GAWG;AAEH;;;;;;;GAOG;AAEH;;;;;;GAMG;AAEH,+BALW,MAAM,GAAC,WAAW,GAAC,UAAU,yCAE3B,aAAa,
|
|
1
|
+
{"version":3,"file":"convert.d.ts","sourceRoot":"","sources":["../src/convert.js"],"names":[],"mappings":"AA8BA;;;;;;;;;;;;;;GAcG;AAEH;;;;;;;;;;;;;;;GAeG;AAEH;;;;;;;;;GASG;AAEH;;;;;;;;;;;GAWG;AAEH;;;;;;;GAOG;AAEH;;;;;;GAMG;AAEH,+BALW,MAAM,GAAC,WAAW,GAAC,UAAU,yCAE3B,aAAa,CAmSzB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;uBAxUa,OAAO,MAAM,EAAE,GAAG,CAAC;;aAanB,QAAQ,EAAE;aACV,OAAO;UACP,MAAM;SACN,MAAM;;;;;;;eAUL,MAAM,EAAE,GAAG,OAAO;UAClB,MAAM,EAAE;aACR,MAAM,EAAE;aACR,KAAK,EAAE"}
|
package/lib-esm/convert.js
CHANGED
|
@@ -137,8 +137,10 @@ export function convert(jcamp, options = {}) {
|
|
|
137
137
|
else if (infos[1] &&
|
|
138
138
|
(infos[1].indexOf('XYDATA') || infos[0].indexOf('++') > 0)) {
|
|
139
139
|
canonicDataLabel = 'XYDATA';
|
|
140
|
-
spectrum.
|
|
141
|
-
|
|
140
|
+
if (spectrum.nbPoints) {
|
|
141
|
+
spectrum.deltaX =
|
|
142
|
+
(spectrum.lastX - spectrum.firstX) / (spectrum.nbPoints - 1);
|
|
143
|
+
}
|
|
142
144
|
}
|
|
143
145
|
}
|
|
144
146
|
}
|
|
@@ -148,8 +150,10 @@ export function convert(jcamp, options = {}) {
|
|
|
148
150
|
// well apparently we should still consider it is a PEAK TABLE if there are no '++' after
|
|
149
151
|
if (dataValue.match(/.*\+\+.*/)) {
|
|
150
152
|
// ex: (X++(Y..Y))
|
|
151
|
-
spectrum.
|
|
152
|
-
|
|
153
|
+
if (spectrum.nbPoints) {
|
|
154
|
+
spectrum.deltaX =
|
|
155
|
+
(spectrum.lastX - spectrum.firstX) / (spectrum.nbPoints - 1);
|
|
156
|
+
}
|
|
153
157
|
fastParseXYData(spectrum, dataValue, result);
|
|
154
158
|
}
|
|
155
159
|
else {
|
package/lib-esm/convert.js.map
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
|
1
|
+
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|
package/package.json
CHANGED
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
{
|
|
2
2
|
"name": "jcampconverter",
|
|
3
|
-
"version": "8.
|
|
3
|
+
"version": "8.3.0",
|
|
4
4
|
"description": "Parse and convert JCAMP data",
|
|
5
5
|
"main": "lib/index.js",
|
|
6
6
|
"module": "lib-esm/index.js",
|
|
@@ -55,21 +55,21 @@
|
|
|
55
55
|
"@types/jest": "^27.4.1",
|
|
56
56
|
"benchmark": "^2.1.4",
|
|
57
57
|
"cheminfo-build": "^1.1.11",
|
|
58
|
-
"eslint": "^8.
|
|
59
|
-
"eslint-config-cheminfo-typescript": "^10.
|
|
58
|
+
"eslint": "^8.11.0",
|
|
59
|
+
"eslint-config-cheminfo-typescript": "^10.4.0",
|
|
60
60
|
"esm": "^3.2.25",
|
|
61
61
|
"jest": "^27.5.1",
|
|
62
62
|
"jest-matcher-deep-close-to": "^3.0.2",
|
|
63
63
|
"jscpd": "^3.4.5",
|
|
64
|
-
"prettier": "^2.
|
|
64
|
+
"prettier": "^2.6.0",
|
|
65
65
|
"rimraf": "^3.0.2",
|
|
66
66
|
"ts-jest": "^27.1.3",
|
|
67
|
-
"typescript": "^4.
|
|
67
|
+
"typescript": "^4.6.2"
|
|
68
68
|
},
|
|
69
69
|
"dependencies": {
|
|
70
70
|
"dynamic-typing": "^0.1.3",
|
|
71
71
|
"ensure-string": "^1.1.0",
|
|
72
72
|
"ml-array-median": "^1.1.6",
|
|
73
|
-
"nmr-processing": "^7.0
|
|
73
|
+
"nmr-processing": "^7.1.0"
|
|
74
74
|
}
|
|
75
75
|
}
|
package/src/convert.js
CHANGED
|
@@ -160,8 +160,10 @@ export function convert(jcamp, options = {}) {
|
|
|
160
160
|
(infos[1].indexOf('XYDATA') || infos[0].indexOf('++') > 0)
|
|
161
161
|
) {
|
|
162
162
|
canonicDataLabel = 'XYDATA';
|
|
163
|
-
spectrum.
|
|
164
|
-
|
|
163
|
+
if (spectrum.nbPoints) {
|
|
164
|
+
spectrum.deltaX =
|
|
165
|
+
(spectrum.lastX - spectrum.firstX) / (spectrum.nbPoints - 1);
|
|
166
|
+
}
|
|
165
167
|
}
|
|
166
168
|
}
|
|
167
169
|
}
|
|
@@ -172,8 +174,10 @@ export function convert(jcamp, options = {}) {
|
|
|
172
174
|
// well apparently we should still consider it is a PEAK TABLE if there are no '++' after
|
|
173
175
|
if (dataValue.match(/.*\+\+.*/)) {
|
|
174
176
|
// ex: (X++(Y..Y))
|
|
175
|
-
spectrum.
|
|
176
|
-
|
|
177
|
+
if (spectrum.nbPoints) {
|
|
178
|
+
spectrum.deltaX =
|
|
179
|
+
(spectrum.lastX - spectrum.firstX) / (spectrum.nbPoints - 1);
|
|
180
|
+
}
|
|
177
181
|
|
|
178
182
|
fastParseXYData(spectrum, dataValue, result);
|
|
179
183
|
} else {
|