From: <mig...@us...> - 2008-09-19 01:16:02
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Revision: 12347 http://cdk.svn.sourceforge.net/cdk/?rev=12347&view=rev Author: miguelrojasch Date: 2008-09-19 08:15:53 +0000 (Fri, 19 Sep 2008) Log Message: ----------- Removed catch unnecessary. Modified Paths: -------------- cdk/branches/cdk-1.2.x/src/main/org/openscience/cdk/charges/StabilizationCharges.java Modified: cdk/branches/cdk-1.2.x/src/main/org/openscience/cdk/charges/StabilizationCharges.java =================================================================== --- cdk/branches/cdk-1.2.x/src/main/org/openscience/cdk/charges/StabilizationCharges.java 2008-09-18 15:20:04 UTC (rev 12346) +++ cdk/branches/cdk-1.2.x/src/main/org/openscience/cdk/charges/StabilizationCharges.java 2008-09-19 08:15:53 UTC (rev 12347) @@ -20,11 +20,14 @@ */ package org.openscience.cdk.charges; +import java.util.ArrayList; +import java.util.Iterator; +import java.util.List; + import org._3pq.jgrapht.Edge; import org._3pq.jgrapht.graph.SimpleGraph; import org.openscience.cdk.annotations.TestClass; import org.openscience.cdk.annotations.TestMethod; -import org.openscience.cdk.exception.CDKException; import org.openscience.cdk.graph.BFSShortestPath; import org.openscience.cdk.graph.MoleculeGraphs; import org.openscience.cdk.interfaces.IAtom; @@ -34,10 +37,6 @@ import org.openscience.cdk.reaction.IReactionProcess; import org.openscience.cdk.reaction.type.HyperconjugationReaction; import org.openscience.cdk.tools.StructureResonanceGenerator; - -import java.util.ArrayList; -import java.util.Iterator; -import java.util.List; /** * The stabilization of the positive and the negative charge * obtained (e.g in the polar breaking of a bond) is calculated from the sigma- and @@ -76,14 +75,10 @@ // only must be generated all structures which stabilize the atom in question. StructureResonanceGenerator gRI = new StructureResonanceGenerator(); - try { - List<IReactionProcess> reactionList = gRI.getReactions(); - reactionList.add(new HyperconjugationReaction()); - gRI.setReactions(reactionList); - } catch (CDKException e) { - e.printStackTrace(); - } - IAtomContainerSet resonanceS = gRI.getStructures((IMolecule) atomContainer); + List<IReactionProcess> reactionList = gRI.getReactions(); + reactionList.add(new HyperconjugationReaction()); + gRI.setReactions(reactionList); + IAtomContainerSet resonanceS = gRI.getStructures((IMolecule) atomContainer); IAtomContainerSet containerS = gRI.getContainers((IMolecule) atomContainer); if(resonanceS.getAtomContainerCount() < 2)// meaning it was not find any resonance structure return 0.0; This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |