On Sat, May 30, 2009 at 9:57 PM, Peter Harley <[email protected]> wrote: >> >> This is a complete kludge, but you might just try creating an empty >> file unistd.h in the $RDBASE/Code/GraphMol/SmilesParse directory >> > > A kludge it might be, but it did make it compile (with an additional copy in > $RDBASE/Code/GraphMol/SLNParse)
Well, at least something worked. > However the second set of tests failed on the fingerprints. Don't know if > this is related or not. Here is a random example, they all seem similar to > these two: > > ********************************************************************** > File "DbFpSupplier.py", line 82, in __main__.ForwardDbFpSupplier > Failed example: > for fp in suppl: > fps.append(fp) > Exception raised: > Traceback (most recent call last): > File "c:\python25\lib\doctest.py", line 1228, in __run > compileflags, 1) in test.globs > File "<doctest __main__.ForwardDbFpSupplier[6]>", line 1, in <module> > for fp in suppl: > NameError: name 'suppl' is not defined > ********************************************************************** > File "DbFpSupplier.py", line 84, in __main__.ForwardDbFpSupplier > Failed example: > len(fps) > Expected: > 12 > Got: > 0 This error normally comes about because the test databases haven't been built. Looking back at the Windows build instructions, I see that I didn't include anything there telling you that you needed to do so or how to do it; I will fix this. If you would like to be able to run all the tests to completion, you'll need to do the "create database" steps described at the bottom of this page: http://code.google.com/p/rdkit/wiki/BuildingOnLinux You can get sqlite binary here: http://www.sqlite.org/download.html Best Regards, -greg
