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[Cdk-commits] CVS: cdk/src/org/openscience/cdk/qsar AromaticAtomsCountDescriptor.java,1.1,1.2 AromaticBondsCountDescriptor.java,1.1,1.2 AtomCountDescriptor.java,1.8,1.9 BondCountDescriptor.java,1.4,1.5 Descriptor.java,1.4,1.5 DescriptorException.java,1.1,1.2 EffectivePolarizabilityDescriptor.java,1.2,1.3 GravitationalIndexDescriptor.java,1.4,1.5 HBondAcceptorCountDescriptor.java,1.1,1.2 IsProtonInAromaticSystemDescriptor.java,1.2,1.3 IsProtonInConjugatedPiSystemDescriptor.java,1.1,1.2 ProtonTotalPartialChargeDescriptor.java,1.3,1.4 QsarDescriptors.java,1.1,1.2 QsarDescriptors2D.java,1.1,1.2 RotatableBondsCountDescriptor.java,1.5,1.6 SigmaElectronegativityDescriptor.java,1.3,1.4 VAdjMaDescriptor.java,1.3,1.4 WeightDescriptor.java,1.3,1.4 ZagrebIndexDescriptor.java,1.3,1.4
Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv10963/src/org/openscience/cdk/qsar Modified Files: AromaticAtomsCountDescriptor.java AromaticBondsCountDescriptor.java AtomCountDescriptor.java BondCountDescriptor.java Descriptor.java DescriptorException.java EffectivePolarizabilityDescriptor.java GravitationalIndexDescriptor.java HBondAcceptorCountDescriptor.java IsProtonInAromaticSystemDescriptor.java IsProtonInConjugatedPiSystemDescriptor.java ProtonTotalPartialChargeDescriptor.java QsarDescriptors.java QsarDescriptors2D.java RotatableBondsCountDescriptor.java SigmaElectronegativityDescriptor.java VAdjMaDescriptor.java WeightDescriptor.java ZagrebIndexDescriptor.java Log Message: Moved all QSAR stuff into the CDK qsar module Index: AromaticAtomsCountDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/AromaticAtomsCountDescriptor.java,v retrieving revision 1.1 retrieving revision 1.2 diff -u -r1.1 -r1.2 --- AromaticAtomsCountDescriptor.java 26 Nov 2004 11:58:25 -0000 1.1 +++ AromaticAtomsCountDescriptor.java 29 Nov 2004 11:07:02 -0000 1.2 @@ -37,8 +37,9 @@ /** * Class that returns the number of aromatic atoms in an atom container * - *@author mfe4 - *@cdk.created 2004-11-03 + * @author mfe4 + * @cdk.created 2004-11-03 + * @cdk.module qsar */ public class AromaticAtomsCountDescriptor implements Descriptor { private boolean checkAromaticity = false; Index: AromaticBondsCountDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/AromaticBondsCountDescriptor.java,v retrieving revision 1.1 retrieving revision 1.2 diff -u -r1.1 -r1.2 --- AromaticBondsCountDescriptor.java 26 Nov 2004 11:58:25 -0000 1.1 +++ AromaticBondsCountDescriptor.java 29 Nov 2004 11:07:02 -0000 1.2 @@ -39,6 +39,7 @@ * *@author mfe4 *@cdk.created 2004-11-03 + * @cdk.module qsar */ public class AromaticBondsCountDescriptor implements Descriptor { private boolean checkAromaticity = false; Index: AtomCountDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/AtomCountDescriptor.java,v retrieving revision 1.8 retrieving revision 1.9 diff -u -r1.8 -r1.9 --- AtomCountDescriptor.java 26 Nov 2004 11:58:25 -0000 1.8 +++ AtomCountDescriptor.java 29 Nov 2004 11:07:02 -0000 1.9 @@ -42,6 +42,7 @@ * *@author mfe4 *@created 2004-11-13 + * @cdk.module qsar */ public class AtomCountDescriptor implements Descriptor { Index: BondCountDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/BondCountDescriptor.java,v retrieving revision 1.4 retrieving revision 1.5 diff -u -r1.4 -r1.5 --- BondCountDescriptor.java 26 Nov 2004 20:20:37 -0000 1.4 +++ BondCountDescriptor.java 29 Nov 2004 11:07:02 -0000 1.5 @@ -35,6 +35,7 @@ * *@author mfe4 *@cdk.created 2004-11-13 + * @cdk.module qsar */ public class BondCountDescriptor implements Descriptor { Index: Descriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/Descriptor.java,v retrieving revision 1.4 retrieving revision 1.5 diff -u -r1.4 -r1.5 --- Descriptor.java 24 Nov 2004 12:49:54 -0000 1.4 +++ Descriptor.java 29 Nov 2004 11:07:02 -0000 1.5 @@ -29,6 +29,8 @@ /** * Classes that implement this interface are QSAR descriptor calculators. + * + * @cdk.module qsar */ public interface Descriptor { Index: DescriptorException.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/DescriptorException.java,v retrieving revision 1.1 retrieving revision 1.2 diff -u -r1.1 -r1.2 --- DescriptorException.java 24 Nov 2004 18:40:12 -0000 1.1 +++ DescriptorException.java 29 Nov 2004 11:07:02 -0000 1.2 @@ -27,6 +27,7 @@ /** * Exception that is thrown by descriptor routines when a problem has occured * + * @cdk.module qsar */ public class DescriptorException extends CDKException { Index: EffectivePolarizabilityDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/EffectivePolarizabilityDescriptor.java,v retrieving revision 1.2 retrieving revision 1.3 diff -u -r1.2 -r1.3 --- EffectivePolarizabilityDescriptor.java 26 Nov 2004 16:05:54 -0000 1.2 +++ EffectivePolarizabilityDescriptor.java 29 Nov 2004 11:07:02 -0000 1.3 @@ -39,6 +39,7 @@ * *@author mfe4 *@cdk.created 2004-11-03 + * @cdk.module qsar */ public class EffectivePolarizabilityDescriptor implements Descriptor { Index: GravitationalIndexDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/GravitationalIndexDescriptor.java,v retrieving revision 1.4 retrieving revision 1.5 diff -u -r1.4 -r1.5 --- GravitationalIndexDescriptor.java 24 Nov 2004 12:50:26 -0000 1.4 +++ GravitationalIndexDescriptor.java 29 Nov 2004 11:07:02 -0000 1.5 @@ -62,6 +62,7 @@ * * @author Rajarshi Guha * @created 2004-11-23 + * @cdk.module qsar */ public class GravitationalIndexDescriptor implements Descriptor { Index: HBondAcceptorCountDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/HBondAcceptorCountDescriptor.java,v retrieving revision 1.1 retrieving revision 1.2 diff -u -r1.1 -r1.2 --- HBondAcceptorCountDescriptor.java 29 Nov 2004 11:02:16 -0000 1.1 +++ HBondAcceptorCountDescriptor.java 29 Nov 2004 11:07:02 -0000 1.2 @@ -43,6 +43,7 @@ * *@author mfe4 *@cdk.created 2004-11-03 + * @cdk.module qsar */ public class HBondAcceptorCountDescriptor implements Descriptor { Index: IsProtonInAromaticSystemDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/IsProtonInAromaticSystemDescriptor.java,v retrieving revision 1.2 retrieving revision 1.3 diff -u -r1.2 -r1.3 --- IsProtonInAromaticSystemDescriptor.java 26 Nov 2004 16:05:54 -0000 1.2 +++ IsProtonInAromaticSystemDescriptor.java 29 Nov 2004 11:07:02 -0000 1.3 @@ -41,6 +41,7 @@ * *@author mfe4 *@cdk.created 2004-11-03 + * @cdk.module qsar */ public class IsProtonInAromaticSystemDescriptor implements Descriptor { Index: IsProtonInConjugatedPiSystemDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/IsProtonInConjugatedPiSystemDescriptor.java,v retrieving revision 1.1 retrieving revision 1.2 diff -u -r1.1 -r1.2 --- IsProtonInConjugatedPiSystemDescriptor.java 26 Nov 2004 11:58:25 -0000 1.1 +++ IsProtonInConjugatedPiSystemDescriptor.java 29 Nov 2004 11:07:02 -0000 1.2 @@ -41,6 +41,7 @@ * *@author mfe4 *@cdk.created 2004-11-03 + * @cdk.module qsar */ public class IsProtonInConjugatedPiSystemDescriptor implements Descriptor { Index: ProtonTotalPartialChargeDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/ProtonTotalPartialChargeDescriptor.java,v retrieving revision 1.3 retrieving revision 1.4 diff -u -r1.3 -r1.4 --- ProtonTotalPartialChargeDescriptor.java 26 Nov 2004 16:05:54 -0000 1.3 +++ ProtonTotalPartialChargeDescriptor.java 29 Nov 2004 11:07:02 -0000 1.4 @@ -39,6 +39,7 @@ * *@author mfe4 *@cdk.created 2004-11-03 + * @cdk.module qsar */ public class ProtonTotalPartialChargeDescriptor implements Descriptor { Index: QsarDescriptors.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/QsarDescriptors.java,v retrieving revision 1.1 retrieving revision 1.2 diff -u -r1.1 -r1.2 --- QsarDescriptors.java 22 Nov 2004 12:48:11 -0000 1.1 +++ QsarDescriptors.java 29 Nov 2004 11:07:02 -0000 1.2 @@ -38,6 +38,7 @@ * *@author cubic *@created November 13, 2004 + * @cdk.module qsar */ public class QsarDescriptors { Index: QsarDescriptors2D.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/QsarDescriptors2D.java,v retrieving revision 1.1 retrieving revision 1.2 diff -u -r1.1 -r1.2 --- QsarDescriptors2D.java 22 Nov 2004 12:48:11 -0000 1.1 +++ QsarDescriptors2D.java 29 Nov 2004 11:07:02 -0000 1.2 @@ -60,6 +60,7 @@ * *@author mfe4 *@created November 13, 2004 + * @cdk.module qsar */ public class QsarDescriptors2D { Index: RotatableBondsCountDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/RotatableBondsCountDescriptor.java,v retrieving revision 1.5 retrieving revision 1.6 diff -u -r1.5 -r1.6 --- RotatableBondsCountDescriptor.java 26 Nov 2004 12:05:37 -0000 1.5 +++ RotatableBondsCountDescriptor.java 29 Nov 2004 11:07:02 -0000 1.6 @@ -40,6 +40,7 @@ * *@author mfe4 *@cdk.created 2004-11-03 + * @cdk.module qsar */ public class RotatableBondsCountDescriptor implements Descriptor { private boolean includeTerminals = false; Index: SigmaElectronegativityDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/SigmaElectronegativityDescriptor.java,v retrieving revision 1.3 retrieving revision 1.4 diff -u -r1.3 -r1.4 --- SigmaElectronegativityDescriptor.java 26 Nov 2004 16:05:54 -0000 1.3 +++ SigmaElectronegativityDescriptor.java 29 Nov 2004 11:07:02 -0000 1.4 @@ -36,6 +36,7 @@ * *@author mfe4 *@cdk.created 2004-11-03 + * @cdk.module qsar */ public class SigmaElectronegativityDescriptor implements Descriptor { Index: VAdjMaDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/VAdjMaDescriptor.java,v retrieving revision 1.3 retrieving revision 1.4 diff -u -r1.3 -r1.4 --- VAdjMaDescriptor.java 26 Nov 2004 11:58:25 -0000 1.3 +++ VAdjMaDescriptor.java 29 Nov 2004 11:07:02 -0000 1.4 @@ -38,6 +38,7 @@ * *@author mfe4 *@cdk.created 2004-11-03 + * @cdk.module qsar */ public class VAdjMaDescriptor implements Descriptor { Index: WeightDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/WeightDescriptor.java,v retrieving revision 1.3 retrieving revision 1.4 diff -u -r1.3 -r1.4 --- WeightDescriptor.java 24 Nov 2004 12:50:26 -0000 1.3 +++ WeightDescriptor.java 29 Nov 2004 11:07:02 -0000 1.4 @@ -43,6 +43,7 @@ * *@author mfe4 *@created 2004-11-13 + * @cdk.module qsar */ public class WeightDescriptor implements Descriptor { Index: ZagrebIndexDescriptor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/qsar/ZagrebIndexDescriptor.java,v retrieving revision 1.3 retrieving revision 1.4 diff -u -r1.3 -r1.4 --- ZagrebIndexDescriptor.java 26 Nov 2004 11:58:25 -0000 1.3 +++ ZagrebIndexDescriptor.java 29 Nov 2004 11:07:02 -0000 1.4 @@ -35,6 +35,7 @@ * *@author mfe4 *@cdk.created 2004-11-03 + * @cdk.module qsar */ public class ZagrebIndexDescriptor implements Descriptor { |