I knew that regressions would occur as the code in relax is designed to handle missing 'xh_vect' objects rather than that object being set to None. Rather than fixing all these parts, it might be best to not have the 'xh_vect' object and just deselect the spin. I'll have to think about that one for a while first. Cheers, Edward On Thu, Mar 27, 2008 at 4:56 PM, Sébastien Morin <sebastien.morin.1@xxxxxxxxx> wrote:
Hi Ed, I just updated my 1.2 version of relax so bug 11378 is solved. I ran the test-suite and found out that solving this bug caused the angles test to fail : Angle calculation tests: The user function angles() .......................................................... [ Failed ] In the angles test, a pDB is read. Here are the lines : # Read a PDB file. self.relax.interpreter._PDB.pdb(run, file='test.pdb', dir=sys.path[-1] + '/test_suite/data', model=1, heteronuc='N', proton='H') I don't have time right now to take a look at this... Do you have any idea ? Ciao ! Séb :) edward@xxxxxxxxxxxxx wrote: > Author: bugman > Date: Thu Mar 27 11:23:55 2008 > New Revision: 5235 > > URL: http://svn.gna.org/viewcvs/relax?rev=5235&view=rev > Log: > Fix for bug #11378 (https://gna.org/bugs/?11378). > > This bug was reported by Ryan Hoffman (https://gna.org/users/rydog). > > The fix was to set the xh_vect variable to None rather than deleting it when the proton or > heteronucleus is not found by the pdb() user function, and to also deselect that spin. > > > Modified: > 1.2/generic_fns/pdb.py > > Modified: 1.2/generic_fns/pdb.py > URL: http://svn.gna.org/viewcvs/relax/1.2/generic_fns/pdb.py?rev=5235&r1=5234&r2=5235&view=diff > ============================================================================== > --- 1.2/generic_fns/pdb.py (original) > +++ 1.2/generic_fns/pdb.py Thu Mar 27 11:23:55 2008 > @@ -287,9 +287,10 @@ > > # Average the vectors and convert xh_vect from an array of vectors to a vector. > for i in xrange(len(self.relax.data.res[self.run])): > - # No vectors. > + # No vectors - deselect the residue. > if self.relax.data.res[self.run][i].xh_vect[0] == None: > - del self.relax.data.res[self.run][i].xh_vect > + self.relax.data.res[self.run][i].xh_vect = None > + self.relax.data.res[self.run][i].select = 0 > continue > > # Average vectors. > > > _______________________________________________ > relax (http://nmr-relax.com) > > This is the relax-commits mailing list > relax-commits@xxxxxxx > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-commits > >