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Hydrogen counts changed again
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egonw committed Aug 14, 2012
1 parent d365963 commit b659414
Showing 1 changed file with 2 additions and 2 deletions.
Expand Up @@ -2032,13 +2032,13 @@ public void testGetFormats() {
mf=new MockIFile(path);
ICDKMolecule mol2 = cdk.loadMolecule(mf);
float similarity2 = cdk.calculateTanimoto( mol,mol2 );
Assert.assertEquals( 0.1407, similarity2, 0.0001 );
Assert.assertEquals( 0.1123, similarity2, 0.0001 );
}

@Test public void testMultipleTanimoto() throws Exception {
List<Float> expected= new ArrayList<Float>();
expected.add((float)1);
expected.add((float)0.1407);
expected.add((float)0.1123);
List<Float> actuals= new ArrayList<Float>();
URI uri = getClass().getResource("/testFiles/aromatic.mol").toURI();
URL url=FileLocator.toFileURL(uri.toURL());
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