More left overs - all good now.

cdk · Dec 22, 2021 · 55a00e4 · 55a00e4
1 parent fcc9d72
commit 55a00e4
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Showing 3 changed files with 8 additions and 10 deletions.
diff --git a/legacy/pom.xml b/legacy/pom.xml
@@ -39,31 +39,26 @@
             <groupId>org.openscience.cdk</groupId>
             <artifactId>cdk-formula</artifactId>
             <version>${project.version}</version>
-            <scope>test</scope>
         </dependency>
         <dependency>
             <groupId>org.openscience.cdk</groupId>
             <artifactId>cdk-reaction</artifactId>
             <version>${project.version}</version>
-            <scope>test</scope>
         </dependency>
         <dependency>
             <groupId>org.openscience.cdk</groupId>
             <artifactId>cdk-isomorphism</artifactId>
             <version>${project.version}</version>
-            <scope>test</scope>
         </dependency>
         <dependency>
             <groupId>org.openscience.cdk</groupId>
             <artifactId>cdk-core</artifactId>
             <version>${project.version}</version>
-            <scope>test</scope>
         </dependency>
         <dependency>
             <groupId>org.openscience.cdk</groupId>
             <artifactId>cdk-valencycheck</artifactId>
             <version>${project.version}</version>
-            <scope>test</scope>
         </dependency>
         <dependency>
             <groupId>org.openscience.cdk</groupId>
@@ -166,6 +161,11 @@
             <type>test-jar</type>
             <scope>test</scope>
         </dependency>
+        <dependency>
+            <groupId>org.openscience.cdk</groupId>
+            <artifactId>cdk-qsar</artifactId>
+            <version>${project.version}</version>
+        </dependency>
         <dependency>
             <groupId>org.openscience.cdk</groupId>
             <artifactId>cdk-qsar</artifactId>

diff --git a/tool/group/src/main/java/org/openscience/cdk/group/AtomRefinable.java b/tool/group/src/main/java/org/openscience/cdk/group/AtomRefinable.java
@@ -31,7 +31,6 @@
 import java.util.SortedSet;
 import java.util.TreeSet;
 
-import org.openscience.cdk.CDKConstants;
 import org.openscience.cdk.interfaces.IAtom;
 import org.openscience.cdk.interfaces.IAtomContainer;
 import org.openscience.cdk.interfaces.IBond;
@@ -232,7 +231,7 @@ private void setupConnectionTable(IAtomContainer atomContainer) {
                 connectionTable[atomIndex][i] = index;
                 if (!ignoreBondOrders) {
                     IBond bond = atomContainer.getBond(atom, connected);
-                    boolean isArom = bond.getFlag(CDKConstants.ISAROMATIC);
+                    boolean isArom = bond.isAromatic();
                     int orderNumber = (isArom) ? 5 : bond.getOrder().numeric();
                     bondOrders[atomIndex][i] = orderNumber;
 

diff --git a/tool/group/src/main/java/org/openscience/cdk/group/BondRefinable.java b/tool/group/src/main/java/org/openscience/cdk/group/BondRefinable.java
@@ -31,7 +31,6 @@
 import java.util.SortedSet;
 import java.util.TreeSet;
 
-import org.openscience.cdk.CDKConstants;
 import org.openscience.cdk.interfaces.IAtomContainer;
 import org.openscience.cdk.interfaces.IBond;
 
@@ -119,7 +118,7 @@ public Partition getInitialPartition() {
                 // doesn't matter what it is, so long as it's constant
                 boS = "1";
             } else {
-                boolean isArom = bond.getFlag(CDKConstants.ISAROMATIC);
+                boolean isArom = bond.isAromatic();
                 int orderNumber = (isArom) ? 5 : bond.getOrder().numeric();
                 boS = String.valueOf(orderNumber);
             }
@@ -168,7 +167,7 @@ private void setupConnectionTable(IAtomContainer atomContainer) {
                 // doesn't matter what it is, so long as it's constant
                 boS = "1";
             } else {
-                boolean isArom = bond.getFlag(CDKConstants.ISAROMATIC);
+                boolean isArom = bond.isAromatic();
                 int orderNumber = (isArom) ? 5 : bond.getOrder().numeric();
                 boS = String.valueOf(orderNumber);
             }