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Remove structure diagram generation from unit test. The test assets t…
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…he chiral smiles are correctly created and are not different. It should depend on diagram generation.

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
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@johnmay @egonw
johnmay authored and egonw committed Jul 31, 2013
1 parent 6234b9d commit 8bbfa75
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Showing 3 changed files with 140 additions and 8 deletions.
69 changes: 69 additions & 0 deletions src/test/data/mdl/9553-with-exp-hyd.mol
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CDK 0604131551
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69 changes: 69 additions & 0 deletions src/test/data/mdl/9554-with-exp-hyd.mol
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CDK 0604131551
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10 changes: 2 additions & 8 deletions src/test/org/openscience/cdk/smiles/SmilesGeneratorTest.java
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Expand Up @@ -727,21 +727,15 @@ private void fixCarbonHCount(IAtomContainer mol) {
* @cdk.bug 1014344
*/
@Test public void testTest() throws Exception {
String filename_cml = "data/mdl/9554.mol";
String filename_mol = "data/mdl/9553.mol";
String filename_cml = "data/mdl/9554-with-exp-hyd.mol";
String filename_mol = "data/mdl/9553-with-exp-hyd.mol";
InputStream ins1 = this.getClass().getClassLoader().getResourceAsStream(filename_cml);
InputStream ins2 = this.getClass().getClassLoader().getResourceAsStream(filename_mol);
MDLV2000Reader reader1 = new MDLV2000Reader(ins1, Mode.STRICT);
IAtomContainer mol1 = reader1.read(new AtomContainer());
addExplicitHydrogens(mol1);
StructureDiagramGenerator sdg=new StructureDiagramGenerator(mol1);
sdg.generateCoordinates();

MDLV2000Reader reader2 = new MDLV2000Reader(ins2, Mode.STRICT);
IAtomContainer mol2 = reader2.read(new AtomContainer());
addExplicitHydrogens(mol2);
sdg=new StructureDiagramGenerator(mol2);
sdg.generateCoordinates();

SmilesGenerator sg = new SmilesGenerator();

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