r6694 - /branches/rdc_analysis/generic_fns/structure/internal.py -- July 04, 2008 - 20:48

Author: bugman
Date: Fri Jul  4 20:48:24 2008
New Revision: 6694

URL: http://svn.gna.org/viewcvs/relax?rev=6694&view=rev
Log:
Updated the atom_connect() method to use the structural index rather than 
model number.


Modified:
    branches/rdc_analysis/generic_fns/structure/internal.py

Modified: branches/rdc_analysis/generic_fns/structure/internal.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/generic_fns/structure/internal.py?rev=6694&r1=6693&r2=6694&view=diff
==============================================================================
--- branches/rdc_analysis/generic_fns/structure/internal.py (original)
+++ branches/rdc_analysis/generic_fns/structure/internal.py Fri Jul  4 
20:48:24 2008
@@ -417,30 +417,31 @@
             self.structural_data[i].z.append(pos[2])
 
 
-    def atom_connect(self, index1=None, index2=None, model=None):
+    def atom_connect(self, index1=None, index2=None, struct_index=None):
         """Method for connecting two atoms within the data structure object.
 
         This method will append index2 to the array at bonded[index1] and 
vice versa.
 
 
-        @keyword index1:    The index of the first atom.
-        @type index1:       int
-        @keyword index2:    The index of the second atom.
-        @type index2:       int
-        @keyword model:     The model to add the atom to.  If not supplied 
and multiple models
-                            exist, then the atom will be added to all models.
-        @type model:        None or int
-        """
-
-        # Loop over the models.
-        for struct in self.structural_data:
-            # Skip non-matching models.
-            if model != None and model != struct.model:
+        @keyword index1:        The index of the first atom.
+        @type index1:           int
+        @keyword index2:        The index of the second atom.
+        @type index2:           int
+        @keyword struct_index:  The index of the structure to connect the 
atoms of.  If not supplied
+                                and multiple structures or models are 
loaded, then the atoms will be
+                                connected within all structures.
+        @type struct_index:     None or int
+        """
+
+        # Loop over the structures.
+        for i in xrange(len(self.structural_data)):
+            # Skip non-matching structures.
+            if struct_index != None and struct_index != i:
                 continue
 
             # Update the bonded array structure.
-            struct.bonded[index1].append(index2)
-            struct.bonded[index2].append(index1)
+            self.structural_data[i].bonded[index1].append(index2)
+            self.structural_data[i].bonded[index2].append(index1)
 
 
     def atom_loop(self, atom_id=None, str_id=None, model_num_flag=False, 
mol_name_flag=False, res_num_flag=False, res_name_flag=False, 
atom_num_flag=False, atom_name_flag=False, element_flag=False, 
pos_flag=False, ave=False):