emdb - npm Package Compare versions

Comparing version 1.4.16 to 1.5.0

package.json

 {
   "name": "emdb",
-  "version": "1.4.16",
+  "version": "1.5.0",
   "description": "Database manager for exact mass query",
@@ -26,5 +26,5 @@ "main": "src/index.js",
     "jszip": "^3.7.1",
-    "mf-finder": "^1.1.19",
-    "mf-from-google-sheet": "^1.1.23",
-    "mf-generator": "^1.3.11",
+    "mf-finder": "^1.2.0",
+    "mf-from-google-sheet": "^1.1.24",
+    "mf-generator": "^1.3.12",
     "mf-matcher": "^1.1.19",
@@ -36,3 +36,3 @@ "mf-parser": "^1.4.0",
     "ml-regression-theil-sen": "^2.0.0",
-    "ms-spectrum": "^1.4.5",
+    "ms-spectrum": "^1.4.6",
     "nucleotide": "^1.2.14",
@@ -42,3 +42,3 @@ "peaks-similarity": "^2.3.1",
   },
-  "gitHead": "0267ed7f19dd446fd89cb2b7402034e21727fafe"
+  "gitHead": "0ccc601b2ba051652963fad05479902943d7feaf"
 }

src/from/__tests__/fromMonoisotopicMass.test.js

@@ -13,2 +13,18 @@ 'use strict';
 
+test('fromMonoisotopicMass string', () => {
+  let dbManager = new DBManager();
+  dbManager.fromMonoisotopicMass('120,60', {
+    allowNeutral: true,
+  });
+  expect(dbManager.databases.monoisotopic).toHaveLength(10);
+});
+
+test('fromMonoisotopicMass array', () => {
+  let dbManager = new DBManager();
+  dbManager.fromMonoisotopicMass([60, 120], {
+    allowNeutral: true,
+  });
+  expect(dbManager.databases.monoisotopic).toHaveLength(10);
+});
+
 test('fromMonoisotopicMass with ionizations', () => {
@@ -15,0 +31,0 @@ let dbManager = new DBManager();

src/from/fromMonoisotopicMass.js

@@ -7,3 +7,3 @@ 'use strict';
  * Generates a database 'monoisotopic' from a monoisotopic mass and various options
- * @param {number}    mass - Monoisotopic mass
+ * @param {number|string|array}    masses - Monoisotopic mass
  * @param {object}    [options={}]
@@ -15,5 +15,6 @@ * @param {number}    [options.maxIterations=10000000] - Maximum number of iterations
  * @param {number}    [options.precision=100] - Allowed mass range based on precision
+ * @param {object}    [options.filter={}]
  * @param {number}    [options.filter.minCharge=-Infinity] - Minimal charge
  * @param {number}    [options.filter.maxCharge=+Infinity] - Maximal charge
- * @param {number}    [options.filter.unsaturation={}]
+ * @param {object}    [options.filter.unsaturation={}]
  * @param {number}    [options.filter.unsaturation.min=-Infinity] - Minimal unsaturation
@@ -27,4 +28,23 @@ * @param {number}    [options.filter.unsaturation.max=+Infinity] - Maximal unsaturation
 
-module.exports = function fromMonoisotopicMass(mass, options = {}) {
-  return findMFs(mass, options);
+module.exports = function fromMonoisotopicMass(masses, options = {}) {
+  if (typeof masses === 'string') {
+    masses = masses.split(/[ ,;\r\n\t]/).map(Number);
+  }
+  if (typeof masses === 'number') {
+    masses = [masses];
+  }
+  let results = masses.map((mass) => findMFs(mass, options));
+  return {
+    mfs: results.map((entry) => entry.mfs).flat(),
+    info: {
+      numberMFEvaluated: results.reduce(
+        (sum, current) => (sum += current.info.numberMFEvaluated),
+        0,
+      ),
+      numberResults: results.reduce(
+        (sum, current) => (sum += current.info.numberResults),
+        0,
+      ),
+    },
+  };
 };

No alert changes

Improved metrics

Total package byte prevSize

1247229

increased by0.08%

Lines of code

2009

increased by1.72%

Dependency changes

• Updatedmf-finder@^1.2.0

• Updatedmf-from-google-sheet@^1.1.24

• Updatedmf-generator@^1.3.12

• Updatedms-spectrum@^1.4.6