mass-fragmentation - npm Package Compare versions

Comparing version 1.7.0 to 1.8.0

package.json

 {
   "name": "mass-fragmentation",
-  "version": "1.7.0",
+  "version": "1.8.0",
   "description": "Code to fragment molecules",
@@ -30,3 +30,3 @@ "main": "lib/index.js",
   },
-  "gitHead": "5792f7e51124ce002a78753392b4e352e705a229"
+  "gitHead": "3300321a615311f64760cb500afac49f1f0f7d23"
 }

src/__tests__/reactionFragmentation.test.js

@@ -11,3 +11,3 @@ import OCL from 'openchemlib';
     const { trees, validNodes, masses } = reactionFragmentation(molecule);
-    expect(validNodes).toHaveLength(624);
+    expect(validNodes).toHaveLength(616);
     expect(masses).toHaveLength(70);
@@ -24,4 +24,4 @@ expect(trees).toMatchSnapshot();
     });
-    expect(validNodes).toHaveLength(297);
-    expect(masses).toHaveLength(35);
+    expect(validNodes).toHaveLength(243);
+    expect(masses).toHaveLength(30);
 
@@ -35,6 +35,6 @@ expect(trees).toMatchSnapshot();
     const { trees, validNodes, masses } = reactionFragmentation(molecule);
-    expect(validNodes).toHaveLength(1266);
-    expect(masses).toHaveLength(50);
+    expect(validNodes).toHaveLength(973);
+    expect(masses).toHaveLength(45);
     expect(trees).toMatchSnapshot();
   });
 });

src/database/__tests__/getDatabase.test.js

@@ -6,3 +6,3 @@ import { getDatabase } from '../getDatabase.js';
     const db = getDatabase();
-    expect(db).toHaveLength(251);
+    expect(db).toHaveLength(255);
   });
@@ -14,3 +14,3 @@ it('kind:all and ionizationKind:esiPositive', () => {
     });
-    expect(db).toHaveLength(181);
+    expect(db).toHaveLength(184);
   });
@@ -22,3 +22,3 @@ it('kind:all and ionizationKind:esiNegative', () => {
     });
-    expect(db).toHaveLength(25);
+    expect(db).toHaveLength(26);
   });
@@ -37,3 +37,3 @@ it('kind:all and ionizationKind:ei', () => {
     });
-    expect(db).toHaveLength(11);
+    expect(db).toHaveLength(13);
   });
@@ -45,3 +45,3 @@ it('kind:ionization and ionizationKind:esiPositive', () => {
     });
-    expect(db).toHaveLength(11);
+    expect(db).toHaveLength(12);
   });
@@ -53,3 +53,3 @@ it('kind:ionization and ionizationKind:esiNegative', () => {
     });
-    expect(db).toHaveLength(0);
+    expect(db).toHaveLength(1);
   });
@@ -68,3 +68,3 @@ it('kind:ionization and ionizationKind:ei', () => {
     });
-    expect(db).toHaveLength(0);
+    expect(db).toHaveLength(3);
   });
@@ -76,3 +76,3 @@ it('kind:resonance and ionizationKind:esiPositive', () => {
     });
-    expect(db).toHaveLength(0);
+    expect(db).toHaveLength(3);
   });
@@ -98,3 +98,3 @@ it('kind:resonance and ionizationKind:esiNegative', () => {
     });
-    expect(db).toHaveLength(240);
+    expect(db).toHaveLength(239);
   });
@@ -106,3 +106,3 @@ it('kind:reaction and ionizationKind:esiPositive', () => {
     });
-    expect(db).toHaveLength(170);
+    expect(db).toHaveLength(169);
   });
@@ -109,0 +109,0 @@ it('kind:reaction and ionizationKind:esiNegative', () => {

No alert changes

Improved metrics

Lines of code

10188

increased by6.48%

Worsened metrics

Total package byte prevSize

2547424

decreased by-10.69%

No dependency changes