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Split out tests, by functionality tested
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git-svn-id: https://cdk.svn.sourceforge.net/svnroot/cdk/cdk/branches/cdk-1.2.x@12500 eb4e18e3-b210-0410-a6ab-dec725e4b171
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egonw committed Oct 1, 2008
1 parent 3de0381 commit 5324dd1
Showing 1 changed file with 111 additions and 24 deletions.
135 changes: 111 additions & 24 deletions src/test/org/openscience/cdk/tools/manipulator/AtomContainerComparatorTest.java
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*/
package org.openscience.cdk.tools.manipulator;

import java.util.Comparator;

import org.junit.Assert;
import org.junit.Test;
import org.openscience.cdk.CDKConstants;
import org.openscience.cdk.DefaultChemObjectBuilder;
import org.openscience.cdk.NewCDKTestCase;
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.interfaces.IRing;
import org.openscience.cdk.NewCDKTestCase;
import org.openscience.cdk.tools.manipulator.AtomContainerComparator;

import java.util.Comparator;

/**
* @cdk.module test-standard
*/
public class AtomContainerComparatorTest extends NewCDKTestCase {

public AtomContainerComparatorTest() {
super();
}
public AtomContainerComparatorTest() {
super();
}

@Test
public void testCompare_Object_Object() {
// Create some IAtomContainers
public void testCompare_Null_IAtomContainer() {
DefaultChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
IRing cycloPentane = builder.newRing(5, "C");
IRing cycloHexane = builder.newRing(6, "C");
IAtomContainer hexaneNitrogen = builder.newRing(6, "N");
hexaneNitrogen.removeBond(0);
IRing cycloHexaneNitrogen = builder.newRing(6, "N");
IRing cycloHexeneNitrogen = builder.newRing(6, "N");
cycloHexeneNitrogen.getBond(0).setOrder(CDKConstants.BONDORDER_DOUBLE);

// Instanciate the comparator
Comparator comparator = new AtomContainerComparator();


// Instantiate the comparator
Comparator<IAtomContainer> comparator = new AtomContainerComparator();

// Assert.assert correct comparison
Assert.assertEquals("null <-> cycloPentane", -1, comparator.compare(null, cycloPentane));
}

@Test
public void testCompare_Null_Null() {
// Instantiate the comparator
Comparator<IAtomContainer> comparator = new AtomContainerComparator();

// Assert.assert correct comparison
Assert.assertEquals("null <-> null", 0, comparator.compare(null, null));
}

@Test
public void testCompare_IAtomContainer_Null() {
DefaultChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
IRing cycloPentane = builder.newRing(5, "C");

// Instantiate the comparator
Comparator<IAtomContainer> comparator = new AtomContainerComparator();

// Assert.assert correct comparison
Assert.assertEquals("cycloPentane <-> null", 1, comparator.compare(cycloPentane, null));
}

@Test
public void testCompare_IAtomContainer_Object() {
// Create some IAtomContainers
DefaultChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
IRing cycloPentane = builder.newRing(5, "C");

// Instantiate the comparator
Comparator comparator = new AtomContainerComparator();

Object object = new Object();
Assert.assertEquals("object <-> cycloPentane", -1, comparator.compare(object, cycloPentane));
Assert.assertEquals("object <-> object", 0, comparator.compare(object, object));
Assert.assertEquals("cycloPentane <-> object", 1, comparator.compare(cycloPentane, object));
}

@Test
public void testCompare_Object_Object() {
// Instantiate the comparator
Comparator comparator = new AtomContainerComparator();

Object object = new Object();
Assert.assertEquals("object <-> object", 0, comparator.compare(object, object));
}

@Test
public void testCompare_Object_IAtomContainer() {
// Create some IAtomContainers
DefaultChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
IRing cycloPentane = builder.newRing(5, "C");

// Instantiate the comparator
Comparator comparator = new AtomContainerComparator();

Object object = new Object();
Assert.assertEquals("object <-> cycloPentane", -1, comparator.compare(object, cycloPentane));
}

@Test
public void testCompare_RingSize() {
// Create some IAtomContainers
DefaultChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
IRing cycloPentane = builder.newRing(5, "C");
IRing cycloHexane = builder.newRing(6, "C");

// Instantiate the comparator
Comparator<IAtomContainer> comparator = new AtomContainerComparator();

Assert.assertEquals("cycloPentane <-> cycloHexane", -1, comparator.compare(cycloPentane, cycloHexane));
Assert.assertEquals("cycloPentane <-> cycloPentane", 0, comparator.compare(cycloPentane, cycloPentane));
Assert.assertEquals("cycloHexane <-> cycloPentane", 1, comparator.compare(cycloHexane, cycloPentane));
}

@Test
public void testCompare_Ring_NonRing() {
// Create some IAtomContainers
DefaultChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
IRing cycloHexane = builder.newRing(6, "C");
IAtomContainer hexaneNitrogen = builder.newRing(6, "N");
hexaneNitrogen.removeBond(0);

// Instantiate the comparator
Comparator<IAtomContainer> comparator = new AtomContainerComparator();

Assert.assertEquals("cycloHexane <-> hexaneNitrogen", -1, comparator.compare(cycloHexane, hexaneNitrogen));
Assert.assertEquals("cycloHexane <-> cycloHexane", 0, comparator.compare(cycloHexane, cycloHexane));
Assert.assertEquals("hexaneNitrogen <-> cycloHexane", 1, comparator.compare(hexaneNitrogen, cycloHexane));
}

@Test
public void testCompare_Ring_NonRing2() {
// Create some IAtomContainers
DefaultChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
IAtomContainer hexaneNitrogen = builder.newRing(6, "N");
hexaneNitrogen.removeBond(0);
IRing cycloHexaneNitrogen = builder.newRing(6, "N");

// Instantiate the comparator
Comparator<IAtomContainer> comparator = new AtomContainerComparator();

Assert.assertEquals("hexaneNitrogen <-> cycloHexaneNitrogen", -1, comparator.compare(hexaneNitrogen, cycloHexaneNitrogen));
Assert.assertEquals("hexaneNitrogen <-> hexaneNitrogen", 0, comparator.compare(hexaneNitrogen, hexaneNitrogen));
Assert.assertEquals("cycloHexaneNitrogen <-> hexaneNitrogen", 1, comparator.compare(cycloHexaneNitrogen, hexaneNitrogen));
}

@Test
public void testCompare_BondOrder() {
// Create some IAtomContainers
DefaultChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
IRing cycloHexaneNitrogen = builder.newRing(6, "N");
IRing cycloHexeneNitrogen = builder.newRing(6, "N");
cycloHexeneNitrogen.getBond(0).setOrder(CDKConstants.BONDORDER_DOUBLE);

// Instantiate the comparator
Comparator<IAtomContainer> comparator = new AtomContainerComparator();

Assert.assertEquals("cycloHexaneNitrogen <-> cycloHexeneNitrogen", -1, comparator.compare(cycloHexaneNitrogen, cycloHexeneNitrogen));
Assert.assertEquals("cycloHexaneNitrogen <-> cycloHexaneNitrogen", 0, comparator.compare(cycloHexaneNitrogen, cycloHexaneNitrogen));
Assert.assertEquals("cycloHexeneNitrogen <-> cycloHexaneNitrogen", 1, comparator.compare(cycloHexeneNitrogen, cycloHexaneNitrogen));

Assert.assertEquals("cycloHexeneNitrogen <-> cycloHexeneNitrogen", 0, comparator.compare(cycloHexeneNitrogen, cycloHexeneNitrogen));
}
Assert.assertEquals("cycloHexeneNitrogen <-> cycloHexaneNitrogen", 1, comparator.compare(cycloHexeneNitrogen, cycloHexaneNitrogen));
}

}

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