Hi Markus,
On Fri, Nov 20, 2009 at 11:16 AM, Markus Kossner m.koss...@tu-bs.de wrote:
Hi Greg,
I updated to the latest RDKit installation using boost_1_41_0 and the
compilation did not throw any error (boost as well as rdkit). However
when I run the tests, I get some errors from two scripts as follows
(The first representatives per script):
**
File SplitData.py, line 206, in __main__.SplitDbData
Failed example:
[str(x) for x in train]
Expected:
['id-7', 'id-6', 'id-2', 'id-8']
Got:
['id-6', 'id-3', 'id-9', 'id-7', 'id-11', 'id-5', 'id-1', 'id-5']
**
**
File DbFpSupplier.py, line 84, in __main__.ForwardDbFpSupplier
Failed example:
len(fps)
Expected:
12
Got:
48
**
For database access I use the standard Ubuntu9.04 sqlite3 packages,
that obviously build up the database correctly. Do you have any hints?
I haven't done any testing with boost 1.41 yet (in fact, I haven't
even downloaded 1.41 yet), so my first guess would be to point the
finger there. But after looking at the code in SplitData.py I don't
really see how this could be a boost problem. Please try removing the
test database ($RDBASE/Data/RDTests.sqlt) and rebuilding it:
sqlite3 $RDBASE/Data/RDTests.sqlt $RDBASE/rdkit/Dbase/test_data/RDTests.sqlite
and then rerunning the SplitData.py test.
-greg
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