Hg Atom type owl added

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
cdk · Aug 20, 2011 · 66d6321 · 66d6321
1 parent d9fc795
commit 66d6321
Showing 1 changed file with 35 additions and 0 deletions.
diff --git a/src/main/org/openscience/cdk/dict/data/cdk-atom-types.owl b/src/main/org/openscience/cdk/dict/data/cdk-atom-types.owl
@@ -1435,6 +1435,41 @@
     <at:piBondCount>0</at:piBondCount>
     </at:AtomType> 
 
+    <at:AtomType rdf:ID="Hg.2plus">
+    <at:formalCharge>2</at:formalCharge>
+    <at:hasElement rdf:resource="&elem;Hg"/>
+    <at:formalNeighbourCount>0</at:formalNeighbourCount>
+    <at:piBondCount>0</at:piBondCount>
+    </at:AtomType>  
+
+    <at:AtomType rdf:ID="Hg.plus">
+    <at:formalCharge>1</at:formalCharge>
+    <at:hasElement rdf:resource="&elem;Hg"/>
+    <at:formalNeighbourCount>1</at:formalNeighbourCount>
+    <at:piBondCount>0</at:piBondCount>
+    </at:AtomType>  
+
+    <at:AtomType rdf:ID="Hg.metallic">
+    <at:formalCharge>0</at:formalCharge>
+    <at:hasElement rdf:resource="&elem;Hg"/>
+    <at:formalNeighbourCount>0</at:formalNeighbourCount>
+    <at:piBondCount>0</at:piBondCount>
+    </at:AtomType>  
+
+    <at:AtomType rdf:ID="Hg.2">
+    <at:formalCharge>0</at:formalCharge>
+    <at:hasElement rdf:resource="&elem;Hg"/>
+    <at:formalNeighbourCount>2</at:formalNeighbourCount>
+    <at:piBondCount>0</at:piBondCount>
+    </at:AtomType>  
+
+    <at:AtomType rdf:ID="Hg.1">
+    <at:formalCharge>0</at:formalCharge>
+    <at:hasElement rdf:resource="&elem;Hg"/>
+    <at:formalNeighbourCount>1</at:formalNeighbourCount>
+    <at:piBondCount>1</at:piBondCount>
+    </at:AtomType>  
+
   <at:AtomType rdf:ID="Hg.minus">
     <at:formalCharge>-1</at:formalCharge>
     <at:hasElement rdf:resource="&elem;Hg"/>