The Octet Molecular Representation Framework v0.8.2

net.sf.octet.test
Class NonbondingValenceElectronsTest

java.lang.Object
  extended byjunit.framework.Assert
      extended byjunit.framework.TestCase
          extended bynet.sf.octet.test.OctetTestCase
              extended bynet.sf.octet.test.NonbondingValenceElectronsTest
All Implemented Interfaces:
junit.framework.Test

public class NonbondingValenceElectronsTest
extends OctetTestCase

A set of tests for NonbondingShell support.

Author:
Richard Apodaca

Constructor Summary
NonbondingValenceElectronsTest()
          Default constructor.
 
Method Summary
 void testAromaticThiazole()
          Verifies that the atoms of aromatic thiazole have the correct number of nonbonding valence electrons.
 void testBenzylRadical()
          Verifies that the atoms of the benzyl radical have the correct number of nonbonding valence electrons.
 void testChargeSeparatedDMSO()
          Verifies that the atoms of charge-separated DMSO have the correct number of nonbonding valence electorns.
 void testFerrocene()
          Verifies that the atoms of ferrocene have the correct number of nonbonding valence electrons.
 void testPhenoxyRadical()
          Verifies that the atoms of the phenoxy radical have the correct number of nonbonding valence electrons.
 
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

NonbondingValenceElectronsTest

public NonbondingValenceElectronsTest()
Default constructor.

Method Detail

testPhenoxyRadical

public void testPhenoxyRadical()
Verifies that the atoms of the phenoxy radical have the correct number of nonbonding valence electrons.


testBenzylRadical

public void testBenzylRadical()
Verifies that the atoms of the benzyl radical have the correct number of nonbonding valence electrons.


testAromaticThiazole

public void testAromaticThiazole()
Verifies that the atoms of aromatic thiazole have the correct number of nonbonding valence electrons.


testFerrocene

public void testFerrocene()
Verifies that the atoms of ferrocene have the correct number of nonbonding valence electrons.


testChargeSeparatedDMSO

public void testChargeSeparatedDMSO()
Verifies that the atoms of charge-separated DMSO have the correct number of nonbonding valence electorns.


The Octet Molecular Representation Framework v0.8.2