r13179 - in /branches/xyz: data/mol_res_spin.py generic_fns/structure/main.py test_suite/system_tests/structure.py -- June 23, 2011 - 11:26

Author: han87
Date: Thu Jun 23 11:26:46 2011
New Revision: 13179

URL: http://svn.gna.org/viewcvs/relax?rev=13179&view=rev
Log:
Reverted r13165 as this change could break other part of the relax.

The command used was:
svn merge -r 13165:13164

The changing of the user functions "load_spins" and "add_item" could break 
other part of relax. This was pointed out by Edward in the email: 
https://mail.gna.org/public/relax-devel/2011-06/msg00226.html.

Modified:
    branches/xyz/data/mol_res_spin.py
    branches/xyz/generic_fns/structure/main.py
    branches/xyz/test_suite/system_tests/structure.py

Modified: branches/xyz/data/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/xyz/data/mol_res_spin.py?rev=13179&r1=13178&r2=13179&view=diff
==============================================================================
--- branches/xyz/data/mol_res_spin.py (original)
+++ branches/xyz/data/mol_res_spin.py Thu Jun 23 11:26:46 2011
@@ -458,7 +458,7 @@
         return text
 
 
-    def add_item(self, res_name=None, res_num=None, res_num_exist=None):
+    def add_item(self, res_name=None, res_num=None):
         """Append an empty ResidueContainer to the ResidueList."""
 
         # If no residue data exists, replace the empty first residue with 
this residue.
@@ -478,8 +478,7 @@
                 # No residue numbers.
                 else:
                     if self[i].name == res_name:
-                        if res_num_exist==False:
-                            raise RelaxError("The unnumbered residue name '" 
+ repr(res_name) + "' already exists.")
+                        raise RelaxError("The unnumbered residue name '" + 
repr(res_name) + "' already exists.")
 
             # Append a new ResidueContainer.
             self.append(ResidueContainer(res_name, res_num))

Modified: branches/xyz/generic_fns/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/xyz/generic_fns/structure/main.py?rev=13179&r1=13178&r2=13179&view=diff
==============================================================================
--- branches/xyz/generic_fns/structure/main.py (original)
+++ branches/xyz/generic_fns/structure/main.py Thu Jun 23 11:26:46 2011
@@ -175,7 +175,6 @@
     res_names = []
     spin_nums = []
     spin_names = []
-    res_num_exist = False
 
     # Loop over all atoms of the spin_id selection.
     model_index = -1
@@ -186,10 +185,6 @@
             model_index = model_index + 1
             last_model = model_num
 
-        # Check whether the res_num exists
-        if not res_num:
-            res_num_exist = True
-
         # Remove the '+' regular expression character from the mol, res, and 
spin names!
         if mol_name and search('\+', mol_name):
             mol_name = replace(mol_name, '+', '')
@@ -242,7 +237,7 @@
         # Add the residue if it doesn't exist.
         if res_cont == None:
             # Add the residue.
-            mol_cont.res.add_item(res_name=res_name, res_num=res_num, 
res_num_exist=res_num_exist)
+            mol_cont.res.add_item(res_name=res_name, res_num=res_num)
 
             # Get the container.
             res_cont = mol_cont.res[-1]

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=13179&r1=13178&r2=13179&view=diff
==============================================================================
--- branches/xyz/test_suite/system_tests/structure.py (original)
+++ branches/xyz/test_suite/system_tests/structure.py Thu Jun 23 11:26:46 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')