r5003 - in /1.3: generic_fns/structure.py relax_errors.py -- February 15, 2008 - 10:28

Author: bugman
Date: Fri Feb 15 10:28:40 2008
New Revision: 5003

URL: http://svn.gna.org/viewcvs/relax?rev=5003&view=rev
Log:
Merged in r4999 to r5002 from the N_state_model branch as they should have 
gone into the 1.3 line!

The command used was:
svn merge -r4998:5002 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/N_state_model


Modified:
    1.3/generic_fns/structure.py
    1.3/relax_errors.py

Modified: 1.3/generic_fns/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure.py?rev=5003&r1=5002&r2=5003&view=diff
==============================================================================
--- 1.3/generic_fns/structure.py (original)
+++ 1.3/generic_fns/structure.py Fri Feb 15 10:28:40 2008
@@ -188,6 +188,13 @@
 def centre_of_mass(return_mass=False):
     """Calculate and return the centre of mass of the structure."""
 
+    # Alias the current data pipe.
+    cdp = relax_data_store[relax_data_store.current_pipe]
+
+    # Test if a structure has been loaded.
+    if not hasattr(cdp.structure, 'structures'):
+        raise RelaxNoPdbError
+
     # Print out.
     print "Calculating the centre of mass."
 

Modified: 1.3/relax_errors.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/relax_errors.py?rev=5003&r1=5002&r2=5003&view=diff
==============================================================================
--- 1.3/relax_errors.py (original)
+++ 1.3/relax_errors.py Fri Feb 15 10:28:40 2008
@@ -140,8 +140,11 @@
 
 # No PDB loaded.
 class RelaxNoPdbError(BaseError):
-    def __init__(self, pipe):
-        self.text = "No PDB file has been loaded for the data pipe " + 
`pipe` + "."
+    def __init__(self, pipe=None):
+        if pipe != None:
+            self.text = "No PDB file has been loaded for the data pipe " + 
`pipe` + "."
+        else:
+            self.text = "No PDB file has been loaded."
         if Debug:
             self.save_state()