Added update of hydrogens after edit.

egonw · Nov 6, 2009 · 60726a1 · 60726a1
1 parent b3f5139
commit 60726a1
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Showing 3 changed files with 17 additions and 2 deletions.
diff --git a/...nk/org.openscience.cdk.controlbasic/src/org/openscience/cdk/controller/ControllerHub.java b/...nk/org.openscience.cdk.controlbasic/src/org/openscience/cdk/controller/ControllerHub.java
@@ -1972,7 +1972,10 @@ public void execute( IEdit edit ) {
             ;//The optional edit is not final so do not put in on the undo stack
         else
             postEdit( edit );
-        //TODO add implicit hydrogen calculation and aromacity
+
+        for(IAtom atom:edit.getAtomsToUpdate()) {
+            updateAtom( ac, atom );
+        }
         fireEvents( edit.getTypeOfChanges() );
     }
 

diff --git a/...rg.openscience.cdk.controlbasic/src/org/openscience/cdk/controller/edit/AbstractEdit.java b/...rg.openscience.cdk.controlbasic/src/org/openscience/cdk/controller/edit/AbstractEdit.java
@@ -26,6 +26,7 @@
 import java.util.ArrayList;
 import java.util.Arrays;
 import java.util.Collection;
+import java.util.Collections;
 import java.util.HashSet;
 import java.util.List;
 import java.util.Set;
@@ -80,7 +81,8 @@ void updateHydrogenCount( IAtom... atoms ) {
      }
 
      public Collection<IAtom> getAtomsToUpdate() {
-         return atomsToUpdate;
+         if(atomsToUpdate == null) return Collections.emptySet();
+         else return atomsToUpdate;
     }
 
      public void execute( IAtomContainer ac ) {

diff --git a/...rg.openscience.cdk.controlbasic/src/org/openscience/cdk/controller/edit/CompositEdit.java b/...rg.openscience.cdk.controlbasic/src/org/openscience/cdk/controller/edit/CompositEdit.java
@@ -25,12 +25,14 @@
 
 import java.util.ArrayList;
 import java.util.Arrays;
+import java.util.Collection;
 import java.util.Collections;
 import java.util.HashSet;
 import java.util.List;
 import java.util.Set;
 
 import org.openscience.cdk.controller.Changed;
+import org.openscience.cdk.interfaces.IAtom;
 import org.openscience.cdk.interfaces.IAtomContainer;
 
 /**
@@ -98,4 +100,12 @@ public void undo() {
         // reverse list
     }
 
+    @Override
+    public Collection<IAtom> getAtomsToUpdate() {
+        Collection<IAtom> atoms = new ArrayList<IAtom>();
+        for(IEdit edit:edits)
+            atoms.addAll( edit.getAtomsToUpdate() );
+        return atoms;
+    }
+
 }