openchemlib - npm Package Compare versions

Comparing version 4.6.3 to 4.7.0

History.md

@@ -0,1 +1,32 @@
+4.7.0 / 2017-01-05
+==================
+
+Update public methods of JSMolecule. This adds a few new methods:
+* static double getDefaultAverageBondLength()
+* static void setDefaultAverageBondLength(double defaultAVBL)
+* int suggestBondType(int atom1, int atom2)
+* double calculateTorsion(int[] atom)
+* void setBondOrder(int bond,int order)
+* int getMetalBondedConnAtoms(int atom)
+* int getAllConnAtomsPlusMetalBonds(int atom)
+* int getNonHydrogenNeighbourCount(int atom)
+* int getExcludeGroupValence(int atom)
+* int getLowestFreeValence(int atom)
+* int getExplicitHydrogens(int atom)
+* boolean isPseudoRotatableBond(int bond)
+* boolean isAmideTypeBond(int bond)
+* int getZNeighbour(int connAtom, int bond)
+* int getHelperArrayStatus()
+
+4.6.3 / 2017-01-04
+==================
+
+* update OCL to 2017.1.0
+
+4.6.2 / 2016-11-08
+==================
+
+* AtomQueryFeaturesDialog: added more than 2 Hydrogens on query features
+* Fix SVGDepictor: minimal bond width is now 1
+
 4.6.1 / 2016-11-03
@@ -2,0 +33,0 @@ ==================

package.json

 {
   "name": "openchemlib",
-  "version": "4.6.3",
+  "version": "4.7.0",
   "description": "Manipulate molecules",
@@ -5,0 +5,0 @@ "keywords": [

No alert changes

Improved metrics

Total package byte prevSize

892536

increased by0.42%

Lines of code

3544

increased by0.31%

No dependency changes