From: <sh...@us...> - 2007-05-29 13:34:39
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Revision: 8340 http://svn.sourceforge.net/cdk/?rev=8340&view=rev Author: shk3 Date: 2007-05-29 06:34:37 -0700 (Tue, 29 May 2007) Log Message: ----------- checks the existence of all 3d coordinates for the tests Modified Paths: -------------- trunk/cdk/src/org/openscience/cdk/test/modeling/builder3d/ModelBuilder3dTest.java Modified: trunk/cdk/src/org/openscience/cdk/test/modeling/builder3d/ModelBuilder3dTest.java =================================================================== --- trunk/cdk/src/org/openscience/cdk/test/modeling/builder3d/ModelBuilder3dTest.java 2007-05-29 11:59:08 UTC (rev 8339) +++ trunk/cdk/src/org/openscience/cdk/test/modeling/builder3d/ModelBuilder3dTest.java 2007-05-29 13:34:37 UTC (rev 8340) @@ -158,6 +158,9 @@ IMolecule mol = sp.parseSmiles(smile); hAdder.addExplicitHydrogensToSatisfyValency(mol); mb3d.generate3DCoordinates(mol, false); + for(int i=0;i<mol.getAtomCount();i++){ + assertNotNull(mol.getAtom(i).getPoint3d()); + } } public void testModelBuilder3D_Konstanz() throws Exception { @@ -170,7 +173,10 @@ IMolecule mol = sp.parseSmiles(smile); hAdder.addExplicitHydrogensToSatisfyValency(mol); mol = mb3d.generate3DCoordinates(mol, false); - } + for(int i=0;i<mol.getAtomCount();i++){ + assertNotNull(mol.getAtom(i).getPoint3d()); + } + } public void xtestModelBuilder3D_Konstanz2() throws Exception { if (!this.runSlowTests()) fail("Slow tests turned of"); @@ -182,7 +188,10 @@ IMolecule mol = sp.parseSmiles(smile); hAdder.addExplicitHydrogensToSatisfyValency(mol); mol = mb3d.generate3DCoordinates(mol, false); - } + for(int i=0;i<mol.getAtomCount();i++){ + assertNotNull(mol.getAtom(i).getPoint3d()); + } + } public void testModelBuilder3D_C1CCCCCCC1CC() throws Exception{ if (!this.runSlowTests()) fail("Slow tests turned of"); @@ -194,6 +203,9 @@ IMolecule mol = sp.parseSmiles(smile); hAdder.addExplicitHydrogensToSatisfyValency(mol); mol = mb3d.generate3DCoordinates(mol, false); + for(int i=0;i<mol.getAtomCount();i++){ + assertNotNull(mol.getAtom(i).getPoint3d()); + } } /** @@ -214,7 +226,9 @@ } hAdder.addExplicitHydrogensToSatisfyValency(mol); mol = mb3d.generate3DCoordinates(mol, false); - assertNotNull(mol.getAtom(0).getPoint3d()); + for(int i=0;i<mol.getAtomCount();i++){ + assertNotNull(mol.getAtom(i).getPoint3d()); + } } /** @@ -255,7 +269,9 @@ IMolecule ac= new NNMolecule((IAtomContainer)containersList.get(0)); hAdder.addExplicitHydrogensToSatisfyValency(ac); ac = mb3d.generate3DCoordinates(ac, false); - assertNotNull(ac.getAtom(0).getPoint3d()); + for(int i=0;i<ac.getAtomCount();i++){ + assertNotNull(ac.getAtom(i).getPoint3d()); + } } This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |