r22038 - in /branches/double_rotor: ./ lib/structure/internal/object.py -- January 21, 2014 - 10:35

Author: bugman
Date: Tue Jan 21 10:35:16 2014
New Revision: 22038

URL: http://svn.gna.org/viewcvs/relax?rev=22038&view=rev
Log:
Merged revisions 22034 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk

........
  r22034 | bugman | 2014-01-21 10:30:24 +0100 (Tue, 21 Jan 2014) | 10 lines
  
  Fix for bug #21522 (https://gna.org/bugs/?21522) and bug #21520 
(https://gna.org/bugs/?21520).
  
  These bugs are the structure.write_pdb user function creating an incorrect 
MASTER record and the
  failure of the structure.write_pdb user function when creating the MASTER 
record due to too many
  ATOM and HETATM records being present.
  
  The counts for the ATOM, HETATM, and TER records are now only for a single 
model, rather than being
  the sum for all models together.
........

Modified:
    branches/double_rotor/   (props changed)
    branches/double_rotor/lib/structure/internal/object.py

Propchange: branches/double_rotor/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Tue Jan 21 10:35:16 2014
@@ -1,1 +1,1 @@
-/trunk:1-22029,22031-22033
+/trunk:1-22029,22031-22034

Modified: branches/double_rotor/lib/structure/internal/object.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/double_rotor/lib/structure/internal/object.py?rev=22038&r1=22037&r2=22038&view=diff
==============================================================================
--- branches/double_rotor/lib/structure/internal/object.py (original)
+++ branches/double_rotor/lib/structure/internal/object.py Tue Jan 21 
10:35:16 2014
@@ -2358,12 +2358,6 @@
         # Validate the structural data.
         self.validate()
 
-        # Initialise record counts.
-        num_hetatm = 0
-        num_atom = 0
-        num_ter = 0
-        num_conect = 0
-
         # Print out.
         print("\nCreating the PDB records\n")
 
@@ -2562,6 +2556,11 @@
 
         # Loop over the models.
         for model in self.model_loop(model_num):
+            # Initialise record counts.
+            num_hetatm = 0
+            num_atom = 0
+            num_ter = 0
+
             # MODEL record, for multiple models.
             ####################################
 
@@ -2650,6 +2649,9 @@
         # Print out.
         print("CONECT")
 
+        # Initialise record counts.
+        num_conect = 0
+
         # Loop over the molecules of the first model.
         for mol in self.structural_data[0].mol:
             # Loop over the atoms.