jcampconverter - npm Package Compare versions

Comparing version 6.0.1 to 7.0.0

History.md

@@ -0,1 +1,5 @@
+# [7.0.0](https://github.com/cheminfo-js/jcampconverter/compare/v6.0.1...v7.0.0) (2020-06-11)
+
+
+
 ## [6.0.1](https://github.com/cheminfo-js/jcampconverter/compare/v6.0.0...v6.0.1) (2020-06-10)
@@ -2,0 +6,0 @@

lib/index.js

@@ -150,3 +150,2 @@ 'use strict';
   spectrum.isXYdata = true;
-  // TODO to be improved using 2 array {x:[], y:[]}
   let currentData = { x: [], y: [] };
@@ -780,3 +779,4 @@ spectrum.data = currentData;
   canonicDataLabels: true,
-  dynamicTyping: false,
+  canonicMetadataLabels: false,
+  dynamicTyping: true,
   withoutXY: false,
@@ -796,3 +796,4 @@ chromatogram: false,
  * @param {number} [options.keepRecordsRegExp=/^$/] By default we don't keep meta information
- * @param {number} [options.canonicDataLabels=true] Canonize the Labels (uppercase with symbol)
+ * @param {number} [options.canonicDataLabels=true] Canonize the Labels (uppercase without symbol)
+ * @param {number} [options.canonicMetadataLabels=false] Canonize the metadata Labels (uppercase without symbol)
  * @param {number} [options.dynamicTyping=false] Convert numbers to Number
@@ -919,2 +920,3 @@ * @param {number} [options.withoutXY=false] Remove the XY data
         info: {},
+        meta: {},
       };
@@ -1053,16 +1055,28 @@ parentEntry.children.push(currentEntry);
       currentEntry.info &&
+      currentEntry.meta &&
       canonicDataLabel.match(options.keepRecordsRegExp)
     ) {
-      let label = options.canonicDataLabels ? canonicDataLabel : dataLabel;
       let value = dataValue.trim();
-      if (options.dynamicTyping && !isNaN(value)) {
-        value = Number(value);
+      let target, label;
+      if (dataLabel.startsWith('$')) {
+        label = options.canonicMetadataLabels
+          ? canonicDataLabel.substring(1)
+          : dataLabel.substring(1);
+        target = currentEntry.meta;
+      } else {
+        label = options.canonicDataLabels ? canonicDataLabel : dataLabel;
+        target = currentEntry.info;
       }
-      if (currentEntry.info[label]) {
-        if (!Array.isArray(currentEntry.info[label])) {
-          currentEntry.info[label] = [currentEntry.info[label]];
+
+      if (options.dynamicTyping) {
+        let parsedValue = Number.parseFloat(value);
+        if (!Number.isNaN(parsedValue)) value = parsedValue;
+      }
+      if (target[label]) {
+        if (!Array.isArray(target[label])) {
+          target[label] = [target[label]];
         }
-        currentEntry.info[label].push(value);
+        target[label].push(value);
       } else {
-        currentEntry.info[label] = value;
+        target[label] = value;
       }
@@ -1069,0 +1083,0 @@ }

package.json

 {
   "name": "jcampconverter",
-  "version": "6.0.1",
+  "version": "7.0.0",
   "description": "Parse and convert JCAMP data",
@@ -5,0 +5,0 @@ "main": "lib/index.js",

README.md

@@ -37,7 +37,7 @@ # JCAMP converter
 - keepRecordsRegExp - regexp to select which records should be placed in the info field. By default: :/^\$/} (nothing is kept)
-- xy - instead of creating a 1D array containing [x1,y1,x2,y2, ...] create an object: {x:[], y:[]}
 - withoutXY - do not parse XYDATA or PEAKTABLE fields. Useful to only extract metadata fields (combine this option with `keepRecordsRegExp`)
 - chromatogram - use the new GC/MS data format output (default: false)
 - canonicDataLabels - canonize data labels (uppercase) (default: true).
-- dynamicTyping - When parsing field convert to number if a number
+- canonicMetadataLabels - canonize data labels (uppercase) (default: false).
+- dynamicTyping - When parsing field convert to number if a number (default: true)
 
@@ -44,0 +44,0 @@ 2D NMR options:

src/convert.js

@@ -19,3 +19,4 @@ import { isMSField, convertMSFieldToLabel } from './complexChromatogram';
   canonicDataLabels: true,
-  dynamicTyping: false,
+  canonicMetadataLabels: false,
+  dynamicTyping: true,
   withoutXY: false,
@@ -35,3 +36,4 @@ chromatogram: false,
  * @param {number} [options.keepRecordsRegExp=/^$/] By default we don't keep meta information
- * @param {number} [options.canonicDataLabels=true] Canonize the Labels (uppercase with symbol)
+ * @param {number} [options.canonicDataLabels=true] Canonize the Labels (uppercase without symbol)
+ * @param {number} [options.canonicMetadataLabels=false] Canonize the metadata Labels (uppercase without symbol)
  * @param {number} [options.dynamicTyping=false] Convert numbers to Number
@@ -158,2 +160,3 @@ * @param {number} [options.withoutXY=false] Remove the XY data
         info: {},
+        meta: {},
       };
@@ -299,16 +302,28 @@ parentEntry.children.push(currentEntry);
       currentEntry.info &&
+      currentEntry.meta &&
       canonicDataLabel.match(options.keepRecordsRegExp)
     ) {
-      let label = options.canonicDataLabels ? canonicDataLabel : dataLabel;
       let value = dataValue.trim();
-      if (options.dynamicTyping && !isNaN(value)) {
-        value = Number(value);
+      let target, label;
+      if (dataLabel.startsWith('$')) {
+        label = options.canonicMetadataLabels
+          ? canonicDataLabel.substring(1)
+          : dataLabel.substring(1);
+        target = currentEntry.meta;
+      } else {
+        label = options.canonicDataLabels ? canonicDataLabel : dataLabel;
+        target = currentEntry.info;
       }
-      if (currentEntry.info[label]) {
-        if (!Array.isArray(currentEntry.info[label])) {
-          currentEntry.info[label] = [currentEntry.info[label]];
+
+      if (options.dynamicTyping) {
+        let parsedValue = Number.parseFloat(value);
+        if (!Number.isNaN(parsedValue)) value = parsedValue;
+      }
+      if (target[label]) {
+        if (!Array.isArray(target[label])) {
+          target[label] = [target[label]];
         }
-        currentEntry.info[label].push(value);
+        target[label].push(value);
       } else {
-        currentEntry.info[label] = value;
+        target[label] = value;
       }
@@ -315,0 +330,0 @@ }

src/parse/fastParseXYData.js

@@ -10,3 +10,2 @@ export default function fastParseXYData(spectrum, value) {
   spectrum.isXYdata = true;
-  // TODO to be improved using 2 array {x:[], y:[]}
   let currentData = { x: [], y: [] };
@@ -13,0 +12,0 @@ spectrum.data = currentData;

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Improved metrics

Total package byte prevSize

83340

increased by1.13%

Lines of code

2033

increased by1.3%

No dependency changes