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We can remove the dependence on cdk-extra and valency check by not us…
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…e the MoleculeFactory. Using cdk-data (test) isn't ideal but is better than extra.

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
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johnmay authored and egonw committed Apr 6, 2014
1 parent 898e3ae commit 17b5f5b
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Showing 3 changed files with 15 additions and 20 deletions.
19 changes: 7 additions & 12 deletions tool/group/pom.xml
Expand Up @@ -48,35 +48,30 @@
</dependency> </dependency>
<dependency> <dependency>
<groupId>${project.groupId}</groupId> <groupId>${project.groupId}</groupId>
<artifactId>cdk-test</artifactId> <artifactId>cdk-data</artifactId>
<version>${project.parent.version}</version> <version>${project.parent.version}</version>
<type>test-jar</type> <type>test-jar</type>
<scope>test</scope>
</dependency>
<dependency>
<groupId>${project.groupId}</groupId>
<artifactId>cdk-silent</artifactId>
<version>${project.parent.version}</version>
<scope>test</scope> <scope>test</scope>
</dependency> </dependency>
<dependency> <dependency>
<groupId>${project.groupId}</groupId> <groupId>${project.groupId}</groupId>
<artifactId>cdk-smiles</artifactId> <artifactId>cdk-test</artifactId>
<version>${project.parent.version}</version> <version>${project.parent.version}</version>
<scope>test</scope> <type>test-jar</type>
<scope>test</scope>
</dependency> </dependency>
<dependency> <dependency>
<groupId>${project.groupId}</groupId> <groupId>${project.groupId}</groupId>
<artifactId>cdk-valencycheck</artifactId> <artifactId>cdk-silent</artifactId>
<version>${project.parent.version}</version> <version>${project.parent.version}</version>
<scope>test</scope> <scope>test</scope>
</dependency> </dependency>
<dependency> <dependency>
<groupId>${project.groupId}</groupId> <groupId>${project.groupId}</groupId>
<artifactId>cdk-extra</artifactId> <artifactId>cdk-smiles</artifactId>
<version>${project.parent.version}</version> <version>${project.parent.version}</version>
<scope>test</scope> <scope>test</scope>
</dependency> </dependency>
</dependencies> </dependencies>


</project> </project>
Expand Up @@ -33,7 +33,7 @@
import org.openscience.cdk.interfaces.IBond; import org.openscience.cdk.interfaces.IBond;
import org.openscience.cdk.interfaces.IChemObjectBuilder; import org.openscience.cdk.interfaces.IChemObjectBuilder;
import org.openscience.cdk.silent.SilentChemObjectBuilder; import org.openscience.cdk.silent.SilentChemObjectBuilder;
import org.openscience.cdk.templates.MoleculeFactory; import org.openscience.cdk.templates.TestMoleculeFactory;
import org.openscience.cdk.tools.manipulator.AtomContainerManipulator; import org.openscience.cdk.tools.manipulator.AtomContainerManipulator;


/** /**
Expand Down Expand Up @@ -208,7 +208,7 @@ public void getAutomorphismPartitionTest() {
@Test @Test
public void testAzulene() throws Exception { public void testAzulene() throws Exception {


IAtomContainer mol = MoleculeFactory.makeAzulene(); IAtomContainer mol = TestMoleculeFactory.makeAzulene();
Assert.assertNotNull("Created molecule was null", mol); Assert.assertNotNull("Created molecule was null", mol);


AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol); AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
Expand All @@ -233,7 +233,7 @@ public void testAzulene() throws Exception {
*/ */
@Test @Test
public void testPyrimidine() throws Exception { public void testPyrimidine() throws Exception {
IAtomContainer mol = MoleculeFactory.makePyrimidine(); IAtomContainer mol = TestMoleculeFactory.makePyrimidine();
AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol); AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
CDKHueckelAromaticityDetector.detectAromaticity(mol); CDKHueckelAromaticityDetector.detectAromaticity(mol);
Assert.assertNotNull("Created molecule was null", mol); Assert.assertNotNull("Created molecule was null", mol);
Expand All @@ -255,7 +255,7 @@ public void testPyrimidine() throws Exception {
*/ */
@Test @Test
public void testBiphenyl() throws Exception { public void testBiphenyl() throws Exception {
IAtomContainer mol = MoleculeFactory.makeBiphenyl(); IAtomContainer mol = TestMoleculeFactory.makeBiphenyl();
AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol); AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
CDKHueckelAromaticityDetector.detectAromaticity(mol); CDKHueckelAromaticityDetector.detectAromaticity(mol);
Assert.assertNotNull("Created molecule was null", mol); Assert.assertNotNull("Created molecule was null", mol);
Expand Down
Expand Up @@ -32,7 +32,7 @@
import org.openscience.cdk.interfaces.IAtomContainer; import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.interfaces.IChemObjectBuilder; import org.openscience.cdk.interfaces.IChemObjectBuilder;
import org.openscience.cdk.silent.SilentChemObjectBuilder; import org.openscience.cdk.silent.SilentChemObjectBuilder;
import org.openscience.cdk.templates.MoleculeFactory; import org.openscience.cdk.templates.TestMoleculeFactory;
import org.openscience.cdk.tools.manipulator.AtomContainerManipulator; import org.openscience.cdk.tools.manipulator.AtomContainerManipulator;


/** /**
Expand Down Expand Up @@ -215,7 +215,7 @@ public void getAutomorphismPartitionTest() {
@Test @Test
public void testAzulene() throws Exception { public void testAzulene() throws Exception {


IAtomContainer mol = MoleculeFactory.makeAzulene(); IAtomContainer mol = TestMoleculeFactory.makeAzulene();
Assert.assertNotNull("Created molecule was null", mol); Assert.assertNotNull("Created molecule was null", mol);
AtomContainerPrinter.print(mol); AtomContainerPrinter.print(mol);


Expand All @@ -240,7 +240,7 @@ public void testAzulene() throws Exception {
*/ */
@Test @Test
public void testPyrimidine() throws Exception { public void testPyrimidine() throws Exception {
IAtomContainer mol = MoleculeFactory.makePyrimidine(); IAtomContainer mol = TestMoleculeFactory.makePyrimidine();
AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol); AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
CDKHueckelAromaticityDetector.detectAromaticity(mol); CDKHueckelAromaticityDetector.detectAromaticity(mol);
Assert.assertNotNull("Created molecule was null", mol); Assert.assertNotNull("Created molecule was null", mol);
Expand All @@ -262,7 +262,7 @@ public void testPyrimidine() throws Exception {
*/ */
@Test @Test
public void testBiphenyl() throws Exception { public void testBiphenyl() throws Exception {
IAtomContainer mol = MoleculeFactory.makeBiphenyl(); IAtomContainer mol = TestMoleculeFactory.makeBiphenyl();
AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol); AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
CDKHueckelAromaticityDetector.detectAromaticity(mol); CDKHueckelAromaticityDetector.detectAromaticity(mol);
Assert.assertNotNull("Created molecule was null", mol); Assert.assertNotNull("Created molecule was null", mol);
Expand Down

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