brukerconverter - npm Package Compare versions

Comparing version 6.1.5-pre.1691494258 to 6.2.0

lib/index.js

@@ -214,43 +214,2 @@ 'use strict';
 
-async function addIntegrals(result, files) {
-  const integralFile = files.integrals;
-  let text = await integralFile.text();
-  text = text.split(/\n/);
-  const info = text[1]
-    .replace(/^\s*/, '')
-    .replace(/(?<=\w)[\t]+/g, ';')
-    .replace(/(?<==)[\t\s]*/g, '')
-    .match(
-      /(?<name>(?<=[NAME] =)[\w\d]*);EXPNO =(?<expno>[\d]*);PROCNO =(?<procno>[\d]*)/,
-    );
-
-  const { expno, procno, name } = info?.groups || {};
-  const directory = text[2].replace(/\s*DU\s*=\t*([\w/.\d]+)/, '$1');
-
-  const integrals = [];
-  const integralData = text.slice(3).filter((t) => t);
-  for (let i = 1; i < integralData.length; i++) {
-    const data = integralData[i]
-      .replace(/^\s*/, '')
-      .replace(/[\s\t]+/g, ';')
-      .match(/\d+;(?<from>[0-9.]+);(?<to>[0-9.]+);(?<integration>[0-9.]+)/);
-    if (data) {
-      const { from, to, integration } = data.groups;
-      integrals.push({
-        from: parseFloat(from),
-        to: parseFloat(to),
-        integration: parseFloat(integration),
-      });
-    }
-  }
-
-  result.integrals = {
-    directory,
-    name,
-    expno: Number(expno),
-    procno: Number(procno),
-    integrals,
-  };
-}
-
 function joinInfoMeta(target, toAppend) {
@@ -294,2 +253,27 @@ for (let key in toAppend.meta) {
 
+async function parseIntegrals(files) {
+  const integralData = (await files.integrals.text())
+    .split(/\r?\n/)
+    .slice(3)
+    .filter((t) => t);
+
+  const integrals = [];
+  for (let i = 1; i < integralData.length; i++) {
+    const data = integralData[i]
+      .replace(/^\s*/, '')
+      .replace(/[\s\t]+/g, ';')
+      .match(/\d+;(?<from>[0-9.]+);(?<to>[0-9.]+);(?<integration>[0-9.]+)/);
+    if (data) {
+      const { from, to, integration } = data.groups;
+      integrals.push({
+        from: parseFloat(from),
+        to: parseFloat(to),
+        integration: parseFloat(integration),
+      });
+    }
+  }
+
+  return integrals;
+}
+
 const QSEQ = 2;
@@ -445,3 +429,3 @@
   if (files.quantFactorSample) addEreticFactor(result, files);
-  if (files.integrals) await addIntegrals(result, files);
+  if (files.integrals) result.integrals = await parseIntegrals(files);
 
@@ -448,0 +432,0 @@ if (files['1r'] || files['1i']) {

package.json

 {
   "name": "brukerconverter",
-  "version": "6.1.5-pre.1691494258",
+  "version": "6.2.0",
   "description": "Parse and convert Bruker raw data",
@@ -5,0 +5,0 @@ "main": "lib/index.js",

src/__tests__/convertFileList.test.js

@@ -136,16 +136,10 @@ import { join } from 'path';
   expect(pdata.integrals).toEqual(
-    expect.objectContaining({
-      directory: '/opt/topspin4.3.0/examdata',
-      name: 'exam_CMCse_1',
-      procno: 1,
-      expno: 10,
-      integrals: expect.arrayContaining([
-        {
-          from: 6.633,
-          to: 6.56,
-          integration: 1,
-        },
-      ]),
-    }),
+    expect.arrayContaining([
+      {
+        from: 6.633,
+        to: 6.56,
+        integration: 1,
+      },
+    ]),
   );
 });

src/util/convert1D.js

@@ -1,4 +0,4 @@
-import { addIntegrals } from './addIntegrals.js';
 import { joinInfoMeta } from './joinMetaInfo.js';
 import { parseData } from './parseData';
+import { parseIntegrals } from './parseIntegrals.js';
 import { setFIDSpectrumData } from './setFIDSpectrumData';
@@ -13,3 +13,3 @@ import { setProcessedSpectrumData } from './setProcessedSpectrumData';
   if (files.quantFactorSample) addEreticFactor(result, files);
-  if (files.integrals) await addIntegrals(result, files);
+  if (files.integrals) result.integrals = await parseIntegrals(files);
 
@@ -16,0 +16,0 @@ if (files['1r'] || files['1i']) {

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Total package byte prevSize

1728074

decreased by-0.07%

Lines of code

1871

decreased by-1.89%

No dependency changes