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Greg Landrum
2013-12-06 03:56:07 +01:00
parent 49f9fa5408 e82d0b5b00
commit 64f01f7506
6 changed files with 49 additions and 19 deletions
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Code/JavaWrappers/gmwrapper/src-test/org/RDKit/AlignTests.java
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@@ -49,7 +49,7 @@ public class AlignTests extends GraphMolTest {
ROMol m1 = sdsup.next();
ROMol m2 = sdsup.next();
Double_Pair res = m1.O3AAlignMol(m2);
assertEquals(res.getFirst(),0.086,.001);
assertEquals(res.getFirst(),0.049,.001);
assertEquals(res.getSecond(),119.98,.01);
}