Ca Atom type data added

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
cdk · Aug 28, 2011 · b91943a · b91943a
1 parent 6c3f09f
commit b91943a
Showing 1 changed file with 14 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
@@ -1227,6 +1227,13 @@
     <at:piBondCount>0</at:piBondCount>
   </at:AtomType>
 
+  <at:AtomType rdf:ID="Ca.2">
+    <at:formalCharge>0</at:formalCharge>
+    <at:hasElement rdf:resource="&elem;Ca"/>
+    <at:formalNeighbourCount>2</at:formalNeighbourCount>
+    <at:piBondCount>0</at:piBondCount>
+  </at:AtomType> 
+
   <at:AtomType rdf:ID="Ca.2plus">
     <at:formalCharge>2</at:formalCharge>
     <at:hasElement rdf:resource="&elem;Ca"/>
@@ -1236,6 +1243,13 @@
     <at:lonePairCount>0</at:lonePairCount>
   </at:AtomType>
 
+  <at:AtomType rdf:ID="Ca.1">
+    <at:formalCharge>0</at:formalCharge>
+    <at:hasElement rdf:resource="&elem;Ca"/>
+    <at:formalNeighbourCount>1</at:formalNeighbourCount>
+    <at:piBondCount>1</at:piBondCount>
+  </at:AtomType>
+
   <at:AtomType rdf:ID="Mg.2plus">
     <at:formalCharge>2</at:formalCharge>
     <at:hasElement rdf:resource="&elem;Mg"/>