Re: r13214 - in /branches/xyz: generic_fns/structure/internal.py test_suite/system_tests/structure.py -- June 24, 2011 - 12:19

Ah ok.  Maybe I would suggest using a name such as xyz_model_increment
to make this clearer.

Cheers,

Edward



On 24 June 2011 12:08, Han Sun <hasu@xxxxxxxxxxxxxxxxx> wrote:
> Hi Edward,
>
> They are not doing the same thing. The model_index will be incremented only
> if one model is loaded. And the model_increment counts for every model. For
> example if I have four models and only two will be loaded. Then model_index
> will count twice and model_increment will count four times.
>
> Best,
> Han
>
> On Jun 24, 2011, at 12:00 PM, Edward d'Auvergne wrote:
>
> > Hi Han,
> >
> > I was just wondering, are the model_index and model_increment counters
> > doing the same or different things in this function?  Maybe
> > modex_index could be used instead?
> >
> > Regards,
> >
> > Edward
> >
> >
> >
> > On 24 June 2011 11:50,  <hasu@xxxxxxxxxxxxxxxxx> wrote:
> > > Author: han87
> > > Date: Fri Jun 24 11:50:33 2011
> > > New Revision: 13214
> > >
> > > URL: http://svn.gna.org/viewcvs/relax?rev=13214&view=rev
> > > Log:
> > > Debugging the user function load_xyz() and changing the system
> > > test_read_xyz_internal2().
> > >
> > > Debugging the user function load_xyz() in
> > > generic_fns/structure/internal.py and changing the system test
> > > test_read_xyz_internal2() so that loading a desired model can be achieved.
> > >
> > > Modified:
> > >   branches/xyz/generic_fns/structure/internal.py
> > >   branches/xyz/test_suite/system_tests/structure.py
> > >
> > > Modified: branches/xyz/generic_fns/structure/internal.py
> > > URL:
> > > http://svn.gna.org/viewcvs/relax/branches/xyz/generic_fns/structure/internal.py?rev=13214&r1=13213&r2=13214&view=diff
> > >
> > > ==============================================================================
> > > --- branches/xyz/generic_fns/structure/internal.py (original)
> > > +++ branches/xyz/generic_fns/structure/internal.py Fri Jun 24 11:50:33
> > > 2011
> > > @@ -833,13 +833,17 @@
> > >        # Loop over all models in the XYZ file.
> > >        mol_index=0
> > >        model_index = 0
> > > +        model_increment = 0
> > >        orig_model_num = []
> > >        mol_conts = []
> > >        orig_mol_num = []
> > >        new_mol_name = []
> > >        for model_records in self.__parse_models_xyz(file_path):
> > > +            # Increment the model_increment
> > > +            model_increment = model_increment +1
> > > +
> > >            # Only load the desired model.
> > > -            if read_model and model_index not in read_model:
> > > +            if read_model and model_increment not in read_model:
> > >                continue
> > >
> > >            # Store the original model number.
> > > @@ -875,7 +879,7 @@
> > >
> > >            # Increment the model index.
> > >            model_index = model_index + 1
> > > -
> > > +
> > >        orig_mol_num=[0]
> > >        # Create the structural data data structures.
> > >        self.pack_structs(mol_conts, orig_model_num=orig_model_num,
> > > set_model_num=set_model_num, orig_mol_num=orig_mol_num,
> > > set_mol_name=new_mol_name, file_name=file, file_path=path)
> > >
> > > Modified: branches/xyz/test_suite/system_tests/structure.py
> > > URL:
> > > http://svn.gna.org/viewcvs/relax/branches/xyz/test_suite/system_tests/structure.py?rev=13214&r1=13213&r2=13214&view=diff
> > >
> > > ==============================================================================
> > > --- branches/xyz/test_suite/system_tests/structure.py (original)
> > > +++ branches/xyz/test_suite/system_tests/structure.py Fri Jun 24 11:50:33
> > > 2011
> > > @@ -656,7 +656,7 @@
> > >        path = status.install_path +
> > > sep+'test_suite'+sep+'shared_data'+sep+'structures'
> > >
> > >        # Read the xyz.
> > > -
> > >  self.interpreter.structure.read_xyz(file='SSS-cluster4-new-test.xyz',
> > > dir=path)
> > > +
> > >  self.interpreter.structure.read_xyz(file='SSS-cluster4-new-test.xyz',
> > > dir=path, read_model=[1,3])
> > >
> > >        # Test the molecule name.
> > >        self.assertEqual(cdp.structure.structural_data[0].mol[0].mol_name,
> > > 'SSS-cluster4-new-test_mol1')
> > >
> > >
> > > _______________________________________________
> > > 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
> >
> > _______________________________________________
> > relax (http://nmr-relax.com)
> >
> > This is the relax-devel mailing list
> > relax-devel@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-devel