r6170 - /1.3/generic_fns/structure/internal.py -- May 20, 2008 - 18:50

Author: bugman
Date: Tue May 20 18:50:41 2008
New Revision: 6170

URL: http://svn.gna.org/viewcvs/relax?rev=6170&view=rev
Log:
Updated the terminate() method to handle multiple models.


Modified:
    1.3/generic_fns/structure/internal.py

Modified: 1.3/generic_fns/structure/internal.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/internal.py?rev=6170&r1=6169&r2=6170&view=diff
==============================================================================
--- 1.3/generic_fns/structure/internal.py (original)
+++ 1.3/generic_fns/structure/internal.py Tue May 20 18:50:41 2008
@@ -346,6 +346,9 @@
         @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.
@@ -415,18 +418,32 @@
             self.structural_data.append(str_obj)
 
 
-    def terminate(self):
+    def terminate(self, model=None):
         """Method for terminating the chain by adding a TER record to the 
structural data object.
 
         The residue number and name are taken from the last atom in the 
current structural object.
-        """
-
-        # The name and number of the last residue.
-        res_name = self.structural_data.res_name[-1]
-        res_num = self.structural_data.res_num[-1]
-
-        # Add the TER 'atom'.
-        self.atom_add(pdb_record='TER', res_name=res_name, res_num=res_num)
+
+
+        @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 i in xrange(len(self.structural_data)):
+            # Alias the structure.
+            struct = self.structural_data[i]
+
+            # Skip non-matching models.
+            if model != None and model != struct.model:
+                continue
+
+            # The name and number of the last residue.
+            res_name = struct.res_name[-1]
+            res_num = struct.res_num[-1]
+
+            # Add the TER 'atom'.
+            self.atom_add(pdb_record='TER', res_name=res_name, 
res_num=res_num, model=i)
 
 
     def write_pdb(self, file):