openchemlib-utils - npm Package Compare versions

Comparing version 4.4.0 to 5.0.0

lib-esm/reaction/utils/getReactantInfo.js

@@ -17,3 +17,3 @@ import { getCharge } from '../../util/getCharge.js';
         mf: getMF(molecule).mf,
-        em: molecule.getMolecularFormula().absoluteWeight,
+        em: Math.round(molecule.getMolecularFormula().absoluteWeight * 1e6) / 1e6,
         charge: getCharge(molecule),
@@ -20,0 +20,0 @@ };

lib/reaction/utils/getReactantInfo.js

@@ -20,3 +20,3 @@ "use strict";
         mf: (0, getMF_js_1.getMF)(molecule).mf,
-        em: molecule.getMolecularFormula().absoluteWeight,
+        em: Math.round(molecule.getMolecularFormula().absoluteWeight * 1e6) / 1e6,
         charge: (0, getCharge_js_1.getCharge)(molecule),
@@ -23,0 +23,0 @@ };

package.json

 {
   "name": "openchemlib-utils",
-  "version": "4.4.0",
+  "version": "5.0.0",
   "description": "Various utilities that extends openchemlib-js like HOSE codes or diastereotopic IDs",
@@ -5,0 +5,0 @@ "main": "./lib/index.js",

src/reaction/utils/getReactantInfo.js

@@ -18,3 +18,3 @@ import { getCharge } from '../../util/getCharge.js';
     mf: getMF(molecule).mf,
-    em: molecule.getMolecularFormula().absoluteWeight,
+    em: Math.round(molecule.getMolecularFormula().absoluteWeight * 1e6) / 1e6,
     charge: getCharge(molecule),
@@ -21,0 +21,0 @@ };

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