net.sf.octet.test
Class ImplicitHydrogenTest

java.lang.Object
  junit.framework.Assert
      junit.framework.TestCase
          net.sf.octet.test.OctetTestCase
              net.sf.octet.test.ImplicitHydrogenTest

All Implemented Interfaces:

junit.framework.Test

public class ImplicitHydrogenTest

extends OctetTestCase

A test for implicit hydrogen detection in BasicMoleculeBuilder.

Author:

Richard Apodaca

Constructor Summary

ImplicitHydrogenTest()
Default constructor.

Method Summary

void	testAromaticFuran() Verifies that furan represented with an extended pi-system has no hydrogen atoms on the oxygen center, but 1 hydrogen on all carbon centers.
void	testAromaticPyridine() Verifes that pyridine containing an extended pi-system has no hydrogen atoms on the nitrogen center, but 1 hydrogen on all carbon centers.
void	testAromaticThiazole() Verifies that the atoms if aromatic thiazole have the correct number of implicit hydrogens.
void	testChargeSeparatedDMSO() Verfies that the atoms of charge separated DMSO have the correct number of implicit hydrogens.
void	testCisplatin() Verifies that each nitrogen of cisplatin has three implicit hydrogens.
void	testCyclopentadienylAnion() Verifies that one implicit hydrogen atom is present on each of the carbon atoms of the cyclopentadienyl anion.
void	testDoubleBondDMSO() Verifies that the atoms of double-bonded DMSO have the correct number of implicit hydrogens.
void	testFerrocene() Verifies that the carbon atoms of ferrocene each have one implicit hydrogen atom and that the iron atom has none.
void	testKekuleBenzene() Verifies that the atoms of kekule benzene have the correct number of implicit hydrogens.
void	testPhenoxyRadical() Verifies that the atoms of the phenoxy radical have the correct number of implicit hydrogen atoms.
void	testPhenylAnion() Verfies that the carbon bearing the negative charge in the phenyl anion has no implicit hydrogens.

Methods inherited from class net.sf.octet.test.OctetTestCase

getMoleculeBuilder

Methods inherited from class junit.framework.TestCase

countTestCases, createResult, getName, run, run, runBare, runTest, setName, setUp, tearDown, toString

Methods inherited from class junit.framework.Assert

assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertEquals, assertFalse, assertFalse, assertNotNull, assertNotNull, assertNotSame, assertNotSame, assertNull, assertNull, assertSame, assertSame, assertTrue, assertTrue, fail, fail

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Constructor Detail

ImplicitHydrogenTest

public ImplicitHydrogenTest()

Default constructor.

Method Detail

testPhenylAnion

public void testPhenylAnion()

Verfies that the carbon bearing the negative charge in the phenyl anion has no implicit hydrogens.

testPhenoxyRadical

public void testPhenoxyRadical()

Verifies that the atoms of the phenoxy radical have the correct number of implicit hydrogen atoms.

testAromaticThiazole

public void testAromaticThiazole()

Verifies that the atoms if aromatic thiazole have the correct number of implicit hydrogens.

testChargeSeparatedDMSO

public void testChargeSeparatedDMSO()

Verfies that the atoms of charge separated DMSO have the correct number of implicit hydrogens.

testDoubleBondDMSO

public void testDoubleBondDMSO()

Verifies that the atoms of double-bonded DMSO have the correct number of implicit hydrogens.

testKekuleBenzene

public void testKekuleBenzene()

Verifies that the atoms of kekule benzene have the correct number of implicit hydrogens.

testCyclopentadienylAnion

public void testCyclopentadienylAnion()

Verifies that one implicit hydrogen atom is present on each of the carbon atoms of the cyclopentadienyl anion.

testAromaticPyridine

public void testAromaticPyridine()

Verifes that pyridine containing an extended pi-system has no hydrogen atoms on the nitrogen center, but 1 hydrogen on all carbon centers.

testAromaticFuran

public void testAromaticFuran()

Verifies that furan represented with an extended pi-system has no hydrogen atoms on the oxygen center, but 1 hydrogen on all carbon centers.

testFerrocene

public void testFerrocene()

Verifies that the carbon atoms of ferrocene each have one implicit hydrogen atom and that the iron atom has none.

testCisplatin

public void testCisplatin()

Verifies that each nitrogen of cisplatin has three implicit hydrogens.