r6822 - in /1.3/generic_fns/structure: internal.py main.py -- July 08, 2008 - 02:09

Author: bugman
Date: Tue Jul  8 02:00:59 2008
New Revision: 6822

URL: http://svn.gna.org/viewcvs/relax?rev=6822&view=rev
Log:
Modified the print out during the extraction of bond vectors.


Modified:
    1.3/generic_fns/structure/internal.py
    1.3/generic_fns/structure/main.py

Modified: 1.3/generic_fns/structure/internal.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/internal.py?rev=6822&r1=6821&r2=6822&view=diff
==============================================================================
--- 1.3/generic_fns/structure/internal.py (original)
+++ 1.3/generic_fns/structure/internal.py Tue Jul  8 02:00:59 2008
@@ -145,7 +145,7 @@
 
         # No attached atoms.
         if num_attached == 0:
-            return None, None, None, None, None, "No attached atom could be 
found."
+            return None, None, None, None, None, "No attached atom could be 
found"
 
         # The bonded atom info.
         index = matching_list[0]

Modified: 1.3/generic_fns/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/main.py?rev=6822&r1=6821&r2=6822&view=diff
==============================================================================
--- 1.3/generic_fns/structure/main.py (original)
+++ 1.3/generic_fns/structure/main.py Tue Jul  8 02:00:59 2008
@@ -274,6 +274,7 @@
             print "The attached atom is a proton."
         else:
             print "The attached atom is not a proton."
+        print
 
     # Set the variable name in which the vectors will be stored.
     if proton:
@@ -281,9 +282,6 @@
     else:
         object_name = 'bond_vect'
 
-    # Header print out.
-    write_header(sys.stdout, mol_name_flag=True, res_num_flag=True, 
res_name_flag=True, spin_num_flag=True, spin_name_flag=True)
-
     # Loop over the spins.
     for spin, mol_name, res_num, res_name in spin_loop(selection=spin_id, 
full_info=True):
         # Skip deselected spins.
@@ -310,7 +308,7 @@
         if not bond_vectors:
             # Warning messages.
             if warnings:
-                warn(RelaxWarning(warnings))
+                warn(RelaxWarning(warnings + "  (for " + `id` + ")."))
 
             # Skip the spin.
             continue
@@ -352,7 +350,8 @@
         setattr(spin, object_name, vector)
 
         # Print out of modified spins.
-        write_line(sys.stdout, mol_name, res_num, res_name, spin.num, 
spin.name, mol_name_flag=True, res_num_flag=True, res_name_flag=True, 
spin_num_flag=True, spin_name_flag=True)
+        if verbosity:
+            print "Extracted vectors for " + `id` + '.'
 
 
 def write_pdb(file=None, dir=None, struct_index=None, force=False):