From: thomaskuhn <tho...@us...> - 2006-01-20 07:21:50
|
Update of /cvsroot/cdk/cdk-taverna/src/org/openscience/cdk/applications/taverna/isomorphism In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv16743/src/org/openscience/cdk/applications/taverna/isomorphism Modified Files: SubstructureFilter.java Log Message: Update the classes after Egons renaming session and added some first Junit-tests. Index: SubstructureFilter.java =================================================================== RCS file: /cvsroot/cdk/cdk-taverna/src/org/openscience/cdk/applications/taverna/isomorphism/SubstructureFilter.java,v retrieving revision 1.5 retrieving revision 1.6 diff -u -r1.5 -r1.6 --- SubstructureFilter.java 29 Dec 2005 21:00:08 -0000 1.5 +++ SubstructureFilter.java 20 Jan 2006 07:21:11 -0000 1.6 @@ -27,7 +27,7 @@ import java.util.*; import org.openscience.cdk.applications.taverna.CMLChemFile; -import org.openscience.cdk.interfaces.AtomContainer; +import org.openscience.cdk.interfaces.IAtomContainer; import org.openscience.cdk.isomorphism.UniversalIsomorphismTester; import org.openscience.cdk.tools.manipulator.ChemFileManipulator; @@ -63,9 +63,9 @@ try { for (Iterator iter = inputList.iterator(); iter.hasNext(); ) { CMLChemFile file = (CMLChemFile)iter.next(); - AtomContainer queryStructure = ChemFileManipulator.getAllInOneContainer(query); + IAtomContainer queryStructure = ChemFileManipulator.getAllInOneContainer(query); - AtomContainer[] molecules = ChemFileManipulator.getAllAtomContainers(file); + IAtomContainer[] molecules = ChemFileManipulator.getAllAtomContainers(file); for (int i=0; i<molecules.length; i++) { if (UniversalIsomorphismTester.isSubgraph(molecules[i], queryStructure)) { matchedList.add(file); |