r20089 - in /trunk: lib/warnings.py pipe_control/interatomic.py pipe_control/structure/main.py -- June 13, 2013 - 11:52

Author: bugman
Date: Thu Jun 13 11:52:47 2013
New Revision: 20089

URL: http://svn.gna.org/viewcvs/relax?rev=20089&view=rev
Log:
Improvements to the RelaxZeroVectorWarning - the warning message was terribly 
out of date.


Modified:
    trunk/lib/warnings.py
    trunk/pipe_control/interatomic.py
    trunk/pipe_control/structure/main.py

Modified: trunk/lib/warnings.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/warnings.py?rev=20089&r1=20088&r2=20089&view=diff
==============================================================================
--- trunk/lib/warnings.py (original)
+++ trunk/lib/warnings.py Thu Jun 13 11:52:47 2013
@@ -113,10 +113,10 @@
 # PDB warnings.
 ###############
 
-# Zero length XH bond vector.
+# Zero length interactomic vector.
 class RelaxZeroVectorWarning(BaseWarning):
-    def __init__(self, res):
-        self.text = "The XH bond vector for residue " + repr(res) + " is of 
zero length."
+    def __init__(self, spin_id1, spin_id2):
+        self.text = "The interatomic vector between the spins '%s' and '%s' 
is of zero length." % (spin_id1, spin_id2)
 
 
 # The atom is missing from the PDB file.

Modified: trunk/pipe_control/interatomic.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/interatomic.py?rev=20089&r1=20088&r2=20089&view=diff
==============================================================================
--- trunk/pipe_control/interatomic.py (original)
+++ trunk/pipe_control/interatomic.py Thu Jun 13 11:52:47 2013
@@ -710,7 +710,7 @@
 
             # Test for zero length.
             if norm_factor == 0.0:
-                warn(RelaxZeroVectorWarning(id))
+                warn(RelaxZeroVectorWarning(spin_id1=interatom.spin_id1, 
spin_id2=interatom.spin_id2))
 
             # Calculate the normalised vector.
             else:

Modified: trunk/pipe_control/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/structure/main.py?rev=20089&r1=20088&r2=20089&view=diff
==============================================================================
--- trunk/pipe_control/structure/main.py (original)
+++ trunk/pipe_control/structure/main.py Thu Jun 13 11:52:47 2013
@@ -976,6 +976,7 @@
 
         # Get the bond info.
         bond_vectors, attached_name, warnings = 
cdp.structure.bond_vectors(attached_atom=attached, model_num=model, 
res_num=res_num, spin_name=spin.name, spin_num=spin.num, return_name=True, 
return_warnings=True)
+        id2 = generate_spin_id_unique(res_num=res_num, res_name=None, 
spin_name=spin.name)
 
         # No attached atom.
         if not bond_vectors:
@@ -1005,7 +1006,7 @@
 
                 # Test for zero length.
                 if norm_factor == 0.0:
-                    warn(RelaxZeroVectorWarning(id))
+                    warn(RelaxZeroVectorWarning(spin_id1=id, spin_id2=id2))
 
                 # Calculate the normalised vector.
                 else: