[Cdk-commits] CVS: cdk/src/org/openscience/cdk/test CDKTests.java,1.6,1.7 IsotopeFactoryTest.java,1.2,1.3 MoleculeFactory.java,1.3,1.4 VicinitySamplerTest.java,1.2,1.3 ElementFactoryTest.java,1.2,NONE

[Egon W. <eg...@us...>]

Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/test
In directory usw-pr-cvs1:/tmp/cvs-serv22850/src/org/openscience/cdk/test

Modified Files:
	CDKTests.java IsotopeFactoryTest.java MoleculeFactory.java 
	VicinitySamplerTest.java 
Removed Files:
	ElementFactoryTest.java 
Log Message:
Merged Isotope- and ElementFactory and made the former a singleton
class.


Index: CDKTests.java
===================================================================
RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/test/CDKTests.java,v
retrieving revision 1.6
retrieving revision 1.7
diff -C2 -r1.6 -r1.7
*** CDKTests.java	11 Aug 2002 11:39:44 -0000	1.6
--- CDKTests.java	14 Aug 2002 11:16:10 -0000	1.7
***************
*** 52,56 ****
  		suite.addTest(PDBReaderTest.suite());		
  		suite.addTest(IsotopeFactoryTest.suite());
- 		suite.addTest(ElementFactoryTest.suite());
  		suite.addTest(AllRingsFinderTest.suite());
  		suite.addTest(FingerprinterTest.suite());
--- 52,55 ----

Index: IsotopeFactoryTest.java
===================================================================
RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/test/IsotopeFactoryTest.java,v
retrieving revision 1.2
retrieving revision 1.3
diff -C2 -r1.2 -r1.3
*** IsotopeFactoryTest.java	4 Aug 2002 12:25:48 -0000	1.2
--- IsotopeFactoryTest.java	14 Aug 2002 11:16:10 -0000	1.3
***************
*** 56,60 ****
  		try
  		{
! 			isofac = new IsotopeFactory();
  		}
  		catch(Exception exc)
--- 56,60 ----
  		try
  		{
! 			isofac = IsotopeFactory.getInstance();
  		}
  		catch(Exception exc)
***************
*** 89,91 ****
--- 89,122 ----
  		
  	}
+     
+ 	/**
+ 	 *  A unit test for JUnit
+ 	 */
+ 	public void testElementFactory()
+ 	{
+ 		Element element = null;
+ 		IsotopeFactory elfac = null;
+ 		String findThis = "Br";
+ 		try
+ 		{
+ 			elfac = IsotopeFactory.getInstance();
+ 		}
+ 		catch (Exception exc)
+ 		{
+ 			throw new AssertionFailedError("Problem instantiating IsotopeFactory: " + exc.toString());
+ 		}
+ 
+ 		assertTrue(elfac.getSize() > 0);
+ 
+ 		try
+ 		{
+ 			element = elfac.getElement(findThis);
+ 		}
+ 		catch (Exception exc)
+ 		{
+ 			throw new AssertionFailedError("Problem getting isotope " + findThis + " from ElementFactory: " + exc.toString());
+ 		}
+ 
+ 		assertTrue(element.getAtomicNumber() == 35);
+ 	}    
  }

Index: MoleculeFactory.java
===================================================================
RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/test/MoleculeFactory.java,v
retrieving revision 1.3
retrieving revision 1.4
diff -C2 -r1.3 -r1.4
*** MoleculeFactory.java	4 Aug 2002 12:25:48 -0000	1.3
--- MoleculeFactory.java	14 Aug 2002 11:16:10 -0000	1.4
***************
*** 209,213 ****
  		mol.addBond(7, 8, 1); // 9
  		mol.addBond(8, 9, 1); // 10
! 		mol.addBond(9, 6, 1); // 11				
  		return mol;
  	}
--- 209,213 ----
  		mol.addBond(7, 8, 1); // 9
  		mol.addBond(8, 9, 1); // 10
! 		mol.addBond(9, 6, 1); // 11
  		return mol;
  	}
***************
*** 225,229 ****
  		mol.addAtom(new Atom("C")); // 6
  		mol.addAtom(new Atom("C")); // 7
! 		
  		mol.addBond(0, 1, 1); // 1
  		mol.addBond(1, 2, 1); // 2
--- 225,229 ----
  		mol.addAtom(new Atom("C")); // 6
  		mol.addAtom(new Atom("C")); // 7
! 
  		mol.addBond(0, 1, 1); // 1
  		mol.addBond(1, 2, 1); // 2
***************
*** 238,242 ****
  	}
  
! 	static Molecule makeFusedRings()
  	{
  		Molecule mol = new Molecule();
--- 238,242 ----
  	}
  
! 	public static Molecule makeFusedRings()
  	{
  		Molecule mol = new Molecule();
***************
*** 251,255 ****
  		mol.addAtom(new Atom("C")); // 8
  		mol.addAtom(new Atom("C")); // 9
! 		
  		mol.addBond(0, 1, 1); // 1
  		mol.addBond(1, 2, 1); // 2
--- 251,255 ----
  		mol.addAtom(new Atom("C")); // 8
  		mol.addAtom(new Atom("C")); // 9
! 
  		mol.addBond(0, 1, 1); // 1
  		mol.addBond(1, 2, 1); // 2
***************
*** 267,271 ****
  	}
  
! 	static Molecule makeMethylDecaline()
  	{
  		Molecule mol = new Molecule();
--- 267,271 ----
  	}
  
! 	public static Molecule makeMethylDecaline()
  	{
  		Molecule mol = new Molecule();
***************
*** 293,297 ****
  		mol.addBond(7, 8, 1); // 9
  		mol.addBond(8, 9, 1); // 10
! 		mol.addBond(9, 0, 1); // 11		
  		mol.addBond(5, 10, 1); // 12		
  		return mol;
--- 293,297 ----
  		mol.addBond(7, 8, 1); // 9
  		mol.addBond(8, 9, 1); // 10
! 		mol.addBond(9, 0, 1); // 11
  		mol.addBond(5, 10, 1); // 12		
  		return mol;
***************
*** 299,303 ****
  	}
  
! 	static Molecule makeEthylPropylPhenantren()
  	{
  		Molecule mol = new Molecule();
--- 299,303 ----
  	}
  
! 	public static Molecule makeEthylPropylPhenantren()
  	{
  		Molecule mol = new Molecule();
***************
*** 347,351 ****
  	}
  
! 	static Molecule makeAzulene()
  	{
  		Molecule mol = new Molecule();
--- 347,351 ----
  	}
  
! 	public static Molecule makeAzulene()
  	{
  		Molecule mol = new Molecule();
***************
*** 376,380 ****
  	}
  
! 	static Molecule makeIndole()
  	{
  		Molecule mol = new Molecule();
--- 376,380 ----
  	}
  
! 	public static Molecule makeIndole()
  	{
  		Molecule mol = new Molecule();
***************
*** 405,409 ****
  
  	
! 	static Molecule makePyrrole()
  	{
  		Molecule mol = new Molecule();
--- 405,409 ----
  
  	
! 	public static Molecule makePyrrole()
  	{
  		Molecule mol = new Molecule();
***************
*** 425,429 ****
  
  	
! 	static Molecule makeSingleRing()
  	{
  		Molecule mol = new Molecule();
--- 425,429 ----
  
  	
! 	public static Molecule makeSingleRing()
  	{
  		Molecule mol = new Molecule();
***************
*** 456,460 ****
  	
  
! 	static Molecule makeDiamantane()
  	{
  		Molecule mol = new Molecule();
--- 456,460 ----
  	
  
! 	public static Molecule makeDiamantane()
  	{
  		Molecule mol = new Molecule();
***************
*** 498,502 ****
  
  
! 	static Molecule makeBranchedAliphatic()
  	{
  		Molecule mol = new Molecule();
--- 498,502 ----
  
  
! 	public static Molecule makeBranchedAliphatic()
  	{
  		Molecule mol = new Molecule();
***************
*** 535,539 ****
  	}
  
! 	static Molecule makeBenzene()
  	{
  		Molecule mol = new Molecule();
--- 535,539 ----
  	}
  
! 	public static Molecule makeBenzene()
  	{
  		Molecule mol = new Molecule();
***************
*** 555,559 ****
  	
  	
! 	static Molecule loadMolecule(String inFile)
  	{
  		MDLReader mr = null;
--- 555,559 ----
  	
  	
! 	public static Molecule loadMolecule(String inFile)
  	{
  		MDLReader mr = null;
***************
*** 590,594 ****
  		try
  		{
! 			new ElementFactory().configureAtoms(mol);
  		}
  		catch(Exception exc)
--- 590,594 ----
  		try
  		{
!             IsotopeFactory.getInstance().configureAtoms(mol);
  		}
  		catch(Exception exc)

Index: VicinitySamplerTest.java
===================================================================
RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/test/VicinitySamplerTest.java,v
retrieving revision 1.2
retrieving revision 1.3
diff -C2 -r1.2 -r1.3
*** VicinitySamplerTest.java	4 Aug 2002 12:25:48 -0000	1.2
--- VicinitySamplerTest.java	14 Aug 2002 11:16:10 -0000	1.3
***************
*** 1,3 ****
! /* 
   * $RCSfile$    $Author$    $Date$    $Revision$
   * 
--- 1,3 ----
! /*
   * $RCSfile$    $Author$    $Date$    $Revision$
   * 
***************
*** 83,87 ****
  		try
  		{
! 			new ElementFactory().configureAtoms(mol);
  		}
  		catch(Exception exc)
--- 83,87 ----
  		try
  		{
! 			IsotopeFactory.getInstance().configureAtoms(mol);
  		}
  		catch(Exception exc)

--- ElementFactoryTest.java DELETED ---