@openchemistry/utils - npm Package Compare versions

Comparing version 0.6.15 to 0.6.17

CHANGELOG.md

@@ -6,2 +6,18 @@ # Change Log
 
+## [0.6.17](https://github.com/OpenChemistry/oc-web-components/compare/@openchemistry/utils@0.6.16...@openchemistry/utils@0.6.17) (2019-10-10)
+
+**Note:** Version bump only for package @openchemistry/utils
+
+
+
+
+
+## [0.6.16](https://github.com/OpenChemistry/oc-web-components/compare/@openchemistry/utils@0.6.15...@openchemistry/utils@0.6.16) (2019-10-10)
+
+**Note:** Version bump only for package @openchemistry/utils
+
+
+
+
+
 ## [0.6.15](https://github.com/OpenChemistry/oc-web-components/compare/@openchemistry/utils@0.6.14...@openchemistry/utils@0.6.15) (2019-10-08)
@@ -8,0 +24,0 @@

dist/cjsonToMoljs.js

@@ -21,3 +21,3 @@ import { numberOfAtoms } from './validation';
     if (!isNil(cjson.bonds)) {
-        atoms = bondsToMoljs(cjson.atoms, cjson.bonds, atoms);
+        atoms = bondsToMoljs(cjson.bonds, atoms);
     }
@@ -45,20 +45,24 @@ return atoms;
 }
-function bondsToMoljs(atomsIn, bondsIn, atoms) {
-    // let nAtoms : number = numberOfAtoms(atomsIn);
-    var nBonds = bondsIn.connections.index.length / 2;
+function bondsToMoljs(bondsIn, atoms) {
+    var nBonds = Math.floor(bondsIn.connections.index.length / 2);
+    var bondsOrder = Array.isArray(bondsIn.order) ? bondsIn.order : [];
+    if (bondsOrder.length !== nBonds) {
+        bondsOrder = [];
+        for (var i = 0; i < nBonds; ++i) {
+            bondsOrder.push(1);
+        }
+    }
+    atoms.forEach(function (atom) {
+        atom.bonds = [];
+        atom.bondOrder = [];
+    });
     for (var i = 0; i < nBonds; ++i) {
         var iAtom = bondsIn.connections.index[i * 2];
         var jAtom = bondsIn.connections.index[i * 2 + 1];
-        if (isNil(atoms[iAtom].bonds)) {
-            atoms[iAtom].bonds = [];
-        }
         atoms[iAtom].bonds.push(jAtom);
-        if (bondsIn.order) {
-            if (isNil(atoms[iAtom].bondOrder)) {
-                atoms[iAtom].bondOrder = [];
-            }
-            atoms[iAtom].bondOrder.push(bondsIn.order[i]);
-        }
+        atoms[iAtom].bondOrder.push(bondsOrder[i]);
+        atoms[jAtom].bonds.push(iAtom);
+        atoms[jAtom].bondOrder.push(bondsOrder[i]);
     }
     return atoms;
 }

package.json

 {
   "name": "@openchemistry/utils",
-  "version": "0.6.15",
+  "version": "0.6.17",
   "description": "Utilities to validate and convert cjson chemical data",
@@ -25,3 +25,3 @@ "main": "dist/index.js",
   "devDependencies": {
-    "@openchemistry/types": "^0.8.14",
+    "@openchemistry/types": "^0.8.16",
     "@types/lodash-es": "^4.17.1",
@@ -33,3 +33,3 @@ "typescript": "^3.1.6"
   },
-  "gitHead": "cd52a4bc70d86c12f84d09bb740961caf94d094e"
+  "gitHead": "5682150eeab23a369b4c19349f2d6b7c3e2234fe"
 }

src/cjsonToMoljs.ts

@@ -25,3 +25,3 @@ import { IChemJson, IAtoms, IBonds, IAtomSpec } from '@openchemistry/types';
   if (!isNil(cjson.bonds)) {
-    atoms = bondsToMoljs(cjson.atoms, cjson.bonds, atoms);
+    atoms = bondsToMoljs(cjson.bonds, atoms);
   }
@@ -51,22 +51,26 @@ return atoms;
 
-function bondsToMoljs(atomsIn: IAtoms,
-                      bondsIn: IBonds,
-                      atoms: IAtomSpec[]) : IAtomSpec[] {
-  // let nAtoms : number = numberOfAtoms(atomsIn);
-  let nBonds: number = bondsIn.connections.index.length / 2;
+function bondsToMoljs(bondsIn: IBonds, atoms: IAtomSpec[]) : IAtomSpec[] {
+  let nBonds: number = Math.floor(bondsIn.connections.index.length / 2);
+  let bondsOrder = Array.isArray(bondsIn.order) ? bondsIn.order : [];
+  if (bondsOrder.length !== nBonds) {
+    bondsOrder = [];
+    for (let i = 0; i < nBonds; ++i) {
+      bondsOrder.push(1);
+    }
+  }
+
+  atoms.forEach(atom => {
+    atom.bonds = [];
+    atom.bondOrder = [];
+  });
+
   for (let i = 0; i < nBonds; ++i) {
     let iAtom: number = bondsIn.connections.index[i * 2];
     let jAtom: number = bondsIn.connections.index[i * 2 + 1];
-    if (isNil(atoms[iAtom].bonds)) {
-      atoms[iAtom].bonds = [];
-    }
     atoms[iAtom].bonds!.push(jAtom);
-    if (bondsIn.order) {
-      if (isNil(atoms[iAtom].bondOrder)) {
-        atoms[iAtom].bondOrder = [];
-      }
-      atoms[iAtom].bondOrder!.push(bondsIn.order[i]);
-    }
+    atoms[iAtom].bondOrder!.push(bondsOrder[i]);
+    atoms[jAtom].bonds!.push(iAtom);
+    atoms[jAtom].bondOrder!.push(bondsOrder[i]);
   }
   return atoms;
 }

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Total package byte prevSize

46520

increased by1.29%

Lines of code

961

increased by0.63%

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