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, <[email protected]> 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 > [email protected] > > 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 [email protected] 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
