emdb - npm Package Compare versions

Comparing version 1.11.0 to 1.12.0

package.json

 {
   "name": "emdb",
-  "version": "1.11.0",
+  "version": "1.12.0",
   "description": "Database manager for exact mass query",
@@ -24,15 +24,15 @@ "main": "src/index.js",
     "cross-fetch": "^3.1.5",
-    "isotopic-distribution": "^1.4.12",
+    "isotopic-distribution": "^1.4.13",
     "jszip": "^3.7.1",
-    "mf-finder": "^1.2.10",
-    "mf-from-google-sheet": "^1.1.34",
-    "mf-generator": "^1.3.22",
-    "mf-matcher": "^1.2.5",
+    "mf-finder": "^1.3.0",
+    "mf-from-google-sheet": "^1.1.35",
+    "mf-generator": "^1.3.23",
+    "mf-matcher": "^1.2.6",
     "mf-parser": "^1.4.7",
-    "mf-utilities": "^1.3.3",
+    "mf-utilities": "^1.4.0",
     "ml-array-max": "^1.2.4",
     "ml-array-min": "^1.2.3",
     "ml-regression-theil-sen": "^2.0.0",
-    "ms-spectrum": "^1.6.10",
-    "nucleotide": "^1.2.21",
+    "ms-spectrum": "^1.6.11",
+    "nucleotide": "^1.2.22",
     "peaks-similarity": "^2.3.1",
@@ -45,3 +45,3 @@ "peptide": "^1.11.4"
   },
-  "gitHead": "788c226dbbd0a854635f8df842a7af2070c4fcea"
+  "gitHead": "d3cece9b08e1afa3c71da0b9d733a2b0545970e0"
 }

src/__tests__/searchPubchem.test.js

@@ -10,2 +10,3 @@ 'use strict';
       precision: 10,
+      url: 'https://pubchem-beta.cheminfo.org/mfs/v1/fromEM',
     });
@@ -21,2 +22,3 @@ expect(data).toHaveLength(2);
       minPubchemEntries: 0,
+      url: 'https://pubchem-beta.cheminfo.org/mfs/v1/fromEM',
     });
@@ -31,2 +33,3 @@ expect(data).toHaveLength(3);
       precision: 10,
+      url: 'https://pubchem-beta.cheminfo.org/mfs/v1/fromEM',
     });
@@ -41,2 +44,3 @@ expect(data).toHaveLength(3);
       precision: 1,
+      url: 'https://pubchem-beta.cheminfo.org/mfs/v1/fromEM',
     });
@@ -51,2 +55,3 @@ expect(data).toHaveLength(1);
       ranges: 'C0-10H0-10N0-10O0-10',
+      url: 'https://pubchem-beta.cheminfo.org/mfs/v1/fromEM',
     });
@@ -53,0 +58,0 @@ expect(data).toHaveLength(1);

src/searchPubchem.js

@@ -22,3 +22,3 @@ 'use strict';
  * @param {number} [options.minPubchemEntries=5] - Minimal number of molecules having a specific MF
- * @param {number} [options.url='https://pubchem.cheminfo.org/mfs/em'] - URL of the webservice
+ * @param {string} [options.url='https://pubchem.cheminfo.org/mfs/v1/fromEM'] - URL of the webservice
  */
@@ -28,3 +28,3 @@
   const {
-    url = 'https://pubchem.cheminfo.org/mfs/em',
+    url = 'https://pubchem.cheminfo.org/mfs/v1/fromEM',
     precision = 1000,
@@ -72,6 +72,5 @@ limit = 1000,
   let results = await Promise.all(promises);
-
   let mfs = [];
   for (let i = 0; i < results.length; i++) {
-    for (let mf of results[i].result) {
+    for (let mf of results[i].data) {
       if (
@@ -84,3 +83,3 @@ allowedEMs &&
       try {
-        let mfInfo = new mfParser.MF(mf.mf).getInfo();
+        let mfInfo = new mfParser.MF(mf._id).getInfo();
         mfInfo.ionization = ionizations[i];
@@ -91,3 +90,3 @@ mfInfo.em = mfInfo.monoisotopicMass;
         }).ms;
-        mfInfo.info = { nbPubchemEntries: mf.total };
+        mfInfo.info = { nbPubchemEntries: mf.count };
         mfs.push(mfInfo);
@@ -94,0 +93,0 @@ } catch (e) {

No alert changes

Improved metrics

Total package byte prevSize

1266660

increased by0.03%

Lines of code

2364

increased by0.21%

Dependency changes

• Updatedisotopic-distribution@^1.4.13

• Updatedmf-finder@^1.3.0

• Updatedmf-from-google-sheet@^1.1.35

• Updatedmf-generator@^1.3.23

• Updatedmf-matcher@^1.2.6

• Updatedmf-utilities@^1.4.0

• Updatedms-spectrum@^1.6.11

• Updatednucleotide@^1.2.22