On Tue, Nov 25, 2014 at 8:41 AM, Egon Willighagen
<egon.willigha...@gmail.com> wrote:
>> I am using CDK-1.4.11.
>
> Can you please try with a version from the CDK 1.5 series, preferably
> the latest?
I ran this test against master:
@Test
public void testSubstructureBug20141125() throws Exception {
int[] results = match("[#6]S[#6]", "CSCCSCO");
Assert.assertEquals(4, results[0]);
Assert.assertEquals(2, results[1]);
}
And that gives the expected numbers: 4 matches of which 2 unique.
The other examples works too.
With kind regards,
Egon
--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen
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