r13214 - in /branches/xyz: generic_fns/structure/internal.py test_suite/system_tests/structure.py -- June 24, 2011 - 11:50

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')