Found it. These JUnitTests really work! OK, Nico -- that's set.
On Thu, Jun 10, 2010 at 12:20 PM, Robert Hanson <[email protected]> wrote:
> I'll check that. Probably just the test, but maybe not.
>
> On Tue, Jun 8, 2010 at 3:11 PM, Nicolas Vervelle <[email protected]>wrote:
>
>> Hi Bob,
>>
>> One of the test for the smiles matcher (Chapter7_17) provoke an error :
>> org.jmol.smiles.InvalidSmilesException: Invalid stereochemistry descriptor
>> at org.jmol.smiles.SmilesParser.checkChirality(SmilesParser.java:817)
>> at org.jmol.smiles.SmilesParser.parseAtom(SmilesParser.java:540)
>> at org.jmol.smiles.SmilesParser.parseSmiles(SmilesParser.java:337)
>> at org.jmol.smiles.SmilesParser.parse(SmilesParser.java:147)
>> at org.jmol.smiles.SmilesParser.getMolecule(SmilesParser.java:119)
>> at
>> org.jmol.smiles.SmilesMatcher.getSubstructureSetArray(SmilesMatcher.java:286)
>> at org.jmol.smiles.SmilesMatcher.find(SmilesMatcher.java:230)
>> at org.jmol.smiles.SmilesMatcher.areEqual(SmilesMatcher.java:85)
>> at
>> org.jmol.smiles.TestSmilesParser.checkMolecule(TestSmilesParser.java:1258)
>> at
>> org.jmol.smiles.TestSmilesParser.testChapter7_17(TestSmilesParser.java:1169)
>> org.jmol.smiles.InvalidSmilesException: Invalid stereochemistry descriptor
>> at org.jmol.smiles.SmilesParser.checkChirality(SmilesParser.java:817)
>> at org.jmol.smiles.SmilesParser.parseAtom(SmilesParser.java:540)
>> at org.jmol.smiles.SmilesParser.parseSmiles(SmilesParser.java:337)
>> at org.jmol.smiles.SmilesParser.parse(SmilesParser.java:147)
>> at org.jmol.smiles.SmilesParser.getMolecule(SmilesParser.java:119)
>> at
>> org.jmol.smiles.SmilesMatcher.getSubstructureSetArray(SmilesMatcher.java:286)
>> at org.jmol.smiles.SmilesMatcher.find(SmilesMatcher.java:230)
>> at org.jmol.smiles.SmilesMatcher.areEqual(SmilesMatcher.java:85)
>> at
>> org.jmol.smiles.TestSmilesParser.checkMolecule(TestSmilesParser.java:1258)
>> at
>> org.jmol.smiles.TestSmilesParser.testChapter7_17(TestSmilesParser.java:1169)
>> java.lang.NullPointerException
>> at org.jmol.smiles.SmilesMatcher.areEqual(SmilesMatcher.java:85)
>> at
>> org.jmol.smiles.TestSmilesParser.checkMolecule(TestSmilesParser.java:1258)
>> at
>> org.jmol.smiles.TestSmilesParser.testChapter7_17(TestSmilesParser.java:1169)
>>
>> Nico
>>
>>
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>>
>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> If nature does not answer first what we want,
> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
ThinkGeek and WIRED's GeekDad team up for the Ultimate
GeekDad Father's Day Giveaway. ONE MASSIVE PRIZE to the
lucky parental unit. See the prize list and enter to win:
http://p.sf.net/sfu/thinkgeek-promo
_______________________________________________
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