Hi Markus, On Fri, Nov 20, 2009 at 11:16 AM, Markus Kossner <[email protected]> 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 ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
