RGroup queries

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>

.classpath

@@ -20,7 +20,7 @@
 	<classpathentry exported="true" kind="lib" path="develjar/com-sun-tools-doclets-Taglet.jar" sourcepath="org.openscience.cdksrc.zip"/>
 	<classpathentry exported="true" kind="lib" path="develjar/junit-4.5.jar"/>
 	<classpathentry kind="lib" path="jar/cmlxom-2.5-b1.jar"/>
-	<classpathentry kind="lib" path="develjar/doccheck.jar"/>
+       <classpathentry kind="lib" path="develjar/doccheck.jar"/>
 	<classpathentry kind="lib" path="develjar/ojdcheck.jar"/>
 	<classpathentry kind="output" path="bin"/>
 </classpath>

AUTHORS

@@ -32,6 +32,7 @@ Niels Out
 Jerome Pansanel
 Chris Pudney
 Jonathan Rienstra-Kiracofe
+Mark Rijnbeek
 David Robinson
 Miguel Rojas Cherto
 Bhupinder Sandhu

src/META-INF/io.cdkdepends

@@ -4,3 +4,5 @@ cdk-ioformats.jar
 cdk-core.jar
 cdk-standard.jar
 cdk-atomtype.jar
+cdk-isomorphism.jar
+cdk-data.jar

src/META-INF/test-io.cdkdepends

@@ -19,3 +19,4 @@ cdk-smiles.jar
 cdk-nonotify.jar
 cdk-test.jar
 cdk-testdata.jar
+cdk-isomorphism.jar

src/main/org/openscience/cdk/CDKConstants.java

@@ -288,6 +288,14 @@ public class CDKConstants {
       */
     public static final String ISOTROPIC_SHIELDING = "cdk:IsotropicShielding";
 
+    /**
+     * A property to indicate RestH being true or false. RestH is a term
+     * used in RGroup queries: "if this property is applied ('on'), sites labeled 
+     * with Rgroup rrr may only be substituted with a member of the Rgroup or with H"
+     */
+    public static final String REST_H = "cdk:RestH";
+
+
     /****************************************
     * Some predefined property names for    *
     * AtomTypes                             *