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
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