From: <eg...@us...> - 2008-07-26 15:41:26
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Revision: 11765 http://cdk.svn.sourceforge.net/cdk/?rev=11765&view=rev Author: egonw Date: 2008-07-26 15:41:22 +0000 (Sat, 26 Jul 2008) Log Message: ----------- Cleared a dependency: extra does not need to depend on nonotify Modified Paths: -------------- cdk/trunk/src/META-INF/extra.cdkdepends cdk/trunk/src/main/org/openscience/cdk/tools/LonePairElectronChecker.java Modified: cdk/trunk/src/META-INF/extra.cdkdepends =================================================================== --- cdk/trunk/src/META-INF/extra.cdkdepends 2008-07-26 14:53:37 UTC (rev 11764) +++ cdk/trunk/src/META-INF/extra.cdkdepends 2008-07-26 15:41:22 UTC (rev 11765) @@ -1,5 +1,4 @@ cdk-data.jar -cdk-nonotify.jar cdk-core.jar cdk-interfaces.jar cdk-io.jar Modified: cdk/trunk/src/main/org/openscience/cdk/tools/LonePairElectronChecker.java =================================================================== --- cdk/trunk/src/main/org/openscience/cdk/tools/LonePairElectronChecker.java 2008-07-26 14:53:37 UTC (rev 11764) +++ cdk/trunk/src/main/org/openscience/cdk/tools/LonePairElectronChecker.java 2008-07-26 15:41:22 UTC (rev 11765) @@ -27,8 +27,8 @@ import org.openscience.cdk.interfaces.IAtom; import org.openscience.cdk.interfaces.IAtomContainer; import org.openscience.cdk.interfaces.IAtomType; +import org.openscience.cdk.interfaces.IChemObjectBuilder; import org.openscience.cdk.interfaces.ILonePair; -import org.openscience.cdk.nonotify.NoNotificationChemObjectBuilder; /** * Provides methods for checking whether an atoms lone pair electrons are saturated @@ -44,10 +44,7 @@ public class LonePairElectronChecker { private LoggingTool logger; - private static AtomTypeFactory factory = AtomTypeFactory.getInstance( - "org/openscience/cdk/config/data/cdk_atomtypes.xml", - NoNotificationChemObjectBuilder.getInstance() - ); + private static AtomTypeFactory factory; /** * Constructor of the LonePairElectronChecker object. @@ -56,6 +53,14 @@ logger = new LoggingTool(LonePairElectronChecker.class); } + private void createAtomTypeFactory(IChemObjectBuilder builder) { + if (factory == null) { + factory = AtomTypeFactory.getInstance( + "org/openscience/cdk/config/data/cdk_atomtypes.xml", builder + ); + } + } + /** * Determines of all atoms on the AtomContainer have the * right number the lone pair electrons. @@ -84,7 +89,8 @@ * * @return True, if it's right saturated */ - public boolean isSaturated(IAtom atom, IAtomContainer ac) throws CDKException { + public boolean isSaturated(IAtom atom, IAtomContainer ac) throws CDKException { + createAtomTypeFactory(ac.getBuilder()); IAtomType atomType = factory.getAtomType(atom.getAtomTypeName()); int lpCount = (Integer)atomType.getProperty(CDKConstants.LONE_PAIR_COUNT); int foundLPCount = ac.getConnectedLonePairsCount(atom); This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |