brukerconverter - npm Package Compare versions

Comparing version 6.0.2 to 6.0.3-pre.1673653817

brukerconverter.d.ts

@@ -24,3 +24,3 @@ import { DoubleArray } from 'cheminfo-types';
    */
-  processingNumbern?: number[];
+  processingNumber?: number[];
   /**
@@ -86,2 +86,3 @@ * experiment number to select, default all
   xy?: boolean;
+  keepFiles?: boolean;
   keepSpectra?: boolean;
@@ -120,2 +121,9 @@ keepRecordsRegExp?: RegExp;
 
+export interface Files {
+  relativePath: string;
+  name: string;
+  lastModified: number;
+  size: number;
+}
+
 export interface SpectraData1D {
@@ -129,7 +137,4 @@ spectra: Spectrum1D[];
   shiftOffsetNum: 0;
-  source: {
-    name: string;
-    expno: number;
+  source: BrukerSource & {
     is1D: boolean;
-    isFID: boolean;
   };
@@ -149,2 +154,10 @@ }
 
+export interface GeneralBrukerSource {
+  name: string;
+  expno: number;
+  procno?: number;
+  isFID: boolean;
+  files?: Files;
+}
+
 export interface SpectraData2D {
@@ -159,8 +172,3 @@ spectra: Spectrum2D[];
   shiftOffsetNum: 0;
-  source: {
-    name: string;
-    expno: number;
-    is2D: boolean;
-    isFID: boolean;
-  };
+  source: BrukerSource & { is2D: boolean };
 }
@@ -174,1 +182,6 @@
 ): Promise<SpectraData[]>;
+
+export function convertOneExperiment(
+  brukerFiles: Experiment,
+  options?: ConverterOptions,
+): Promise<SpectraData>;

lib/index.js

@@ -72,2 +72,3 @@ 'use strict';
           expno: currentExperimentNo,
+          procno: currentProcessingNo,
         };
@@ -564,2 +565,3 @@ }
  * @param {boolean} [options.xy] - if true, spectra data is a object with x and y
+ * @param {boolean} [options.keepFiles] - if true, the fileCollectionItems will be saved in source.
  * @param {boolean} [options.keepSpectra=false] - for 2D should we keep the spectra or just the matrix ?
@@ -585,2 +587,5 @@ * @param {RegExp} [options.keepRecordsRegExp='\/.*\/'] - regular expresion to parse the metadata of the spectrum.
     }
+    if (options.keepFiles) {
+      result.source.files = brukerFiles.fileCollectionItems;
+    }
     // todo we could as well keep the FileList at this level if
@@ -593,5 +598,5 @@ // we want to keep the original data
   if (result.meta.GRPDLY) {
-    result.meta.GRPDLY = Number(result.meta.GRPDLY);
-    result.meta.DSPFVS = Number(result.meta.DSPFVS);
-    result.meta.DECIM = Number(result.meta.DECIM);
+    maybeAdd(result.meta, 'DSPFVS', result.meta.DSPFVS);
+    maybeAdd(result.meta, 'GRPDLY', result.meta.GRPDLY);
+    maybeAdd(result.meta, 'DECIM', result.meta.DECIM);
   }
@@ -624,2 +629,11 @@
 
+function maybeAdd(obj, name, value) {
+  if (value === undefined) return;
+  if (Array.isArray(value)) {
+    obj[name] = value.slice();
+  } else {
+    obj[name] = [value];
+  }
+}
+
 /**
@@ -652,3 +666,4 @@ *
 exports.convertFileCollection = convertFileCollection;
+exports.convertOneExperiment = convertOneExperiment;
 exports.convertZip = convertZip;
 exports.groupByExperiments = groupByExperiments;

package.json

 {
   "name": "brukerconverter",
-  "version": "6.0.2",
+  "version": "6.0.3-pre.1673653817",
   "description": "Parse and convert Bruker raw data",
@@ -53,2 +53,2 @@ "main": "lib/index.js",
   }
-}
+}

src/__tests__/convertFileList.test.js

@@ -12,3 +12,5 @@ import { getCoffee } from 'bruker-data-test';
     const fileCollection = await getCoffee();
-    const results = await convertFileCollection(fileCollection);
+    const results = await convertFileCollection(fileCollection, {
+      converter: { keepFiles: true },
+    });
     expect(results).toHaveLength(18);
@@ -15,0 +17,0 @@

src/groupByExperiments.js

@@ -64,2 +64,3 @@ /**
           expno: currentExperimentNo,
+          procno: currentProcessingNo,
         };
@@ -66,0 +67,0 @@ }

src/index.js

 export { convertZip } from './helpers/convertZip';
+export { convertOneExperiment } from './util/convertOneExperiment';
 export { convertFileCollection } from './convertFileCollection';
 export { groupByExperiments } from './groupByExperiments';

src/util/convertOneExperiment.js

@@ -10,2 +10,3 @@ import { convert1D } from './convert1D';
  * @param {boolean} [options.xy] - if true, spectra data is a object with x and y
+ * @param {boolean} [options.keepFiles] - if true, the fileCollectionItems will be saved in source.
  * @param {boolean} [options.keepSpectra=false] - for 2D should we keep the spectra or just the matrix ?
@@ -31,2 +32,5 @@ * @param {RegExp} [options.keepRecordsRegExp='\/.*\/'] - regular expresion to parse the metadata of the spectrum.
     }
+    if (options.keepFiles) {
+      result.source.files = brukerFiles.fileCollectionItems;
+    }
     // todo we could as well keep the FileList at this level if
@@ -39,5 +43,5 @@ // we want to keep the original data
   if (result.meta.GRPDLY) {
-    result.meta.GRPDLY = Number(result.meta.GRPDLY);
-    result.meta.DSPFVS = Number(result.meta.DSPFVS);
-    result.meta.DECIM = Number(result.meta.DECIM);
+    maybeAdd(result.meta, 'DSPFVS', result.meta.DSPFVS);
+    maybeAdd(result.meta, 'GRPDLY', result.meta.GRPDLY);
+    maybeAdd(result.meta, 'DECIM', result.meta.DECIM);
   }
@@ -69,1 +73,10 @@
 }
+
+function maybeAdd(obj, name, value) {
+  if (value === undefined) return;
+  if (Array.isArray(value)) {
+    obj[name] = value.slice();
+  } else {
+    obj[name] = [value];
+  }
+}

New alerts

No v1

Quality

Package is not semver >=1. This means it is not stable and does not support ^ ranges.

Found 1 instance in 1 package

Improved metrics

Total package byte prevSize

54113

increased by2.5%

Lines of code

1543

increased by2.66%

Worsened metrics

Number of low quality alerts

2

increased by100%

No dependency changes