r26783 - in /branches/frame_order_cleanup: ./ lib/structure/internal/object.py -- November 27, 2014 - 15:23

Author: bugman
Date: Thu Nov 27 15:23:05 2014
New Revision: 26783

URL: http://svn.gna.org/viewcvs/relax?rev=26783&view=rev
Log:
Merged revisions 26782 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk

........
  r26782 | bugman | 2014-11-27 15:16:48 +0100 (Thu, 27 Nov 2014) | 8 lines
  
  Modified the printouts from the structure.write_pdb user function if models 
are present.
  
  Instead of printing out 'MODEL', 'ATOM, HETATM, TER' and 'ENDMDL' for each 
model, the header 'MODEL
  records' is printed followed by a single '.' character for each model.  For 
structures with many models,
  this results in a huge speed up of the user function which is strongly 
limited by how fast the
  terminal can display text.
........

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

Propchange: branches/frame_order_cleanup/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Thu Nov 27 15:23:05 2014
@@ -1 +1 @@
-/trunk:1-26771
+/trunk:1-26782

Modified: branches/frame_order_cleanup/lib/structure/internal/object.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/structure/internal/object.py?rev=26783&r1=26782&r2=26783&view=diff
==============================================================================
--- branches/frame_order_cleanup/lib/structure/internal/object.py       
(original)
+++ branches/frame_order_cleanup/lib/structure/internal/object.py       Thu 
Nov 27 15:23:05 2014
@@ -29,6 +29,7 @@
 from os import F_OK, access, curdir, sep
 from os.path import abspath
 from re import search
+import sys
 from time import asctime
 from warnings import warn
 
@@ -2802,6 +2803,10 @@
         # Coordinate section #
         ######################
 
+        # Initial printout if models are present.
+        if model_records:
+            print("\nMODEL records:")
+
         # Loop over the models.
         for model in self.model_loop(model_num):
             # Initialise record counts.
@@ -2814,8 +2819,8 @@
             ####################################
 
             if model_records:
-                # Print out.
-                print("\nMODEL %s" % model.num)
+                # Printout.
+                sys.stdout.write('.')
 
                 # Write the model record.
                 pdb_write.model(file, serial=model.num)
@@ -2828,8 +2833,9 @@
             index = 0
             atom_serial = 0
             for mol in model.mol_loop():
-                # Print out.
-                print("ATOM, HETATM, TER")
+                # Printout.
+                if not model_records:
+                    print("ATOM, HETATM, TER")
 
                 # Loop over the atomic data.
                 atom_record = False
@@ -2892,7 +2898,8 @@
             ########################################
 
             if model_records:
-                print("ENDMDL")
+                if not model_records:
+                    print("ENDMDL")
                 pdb_write.endmdl(file)
 
 
@@ -2900,6 +2907,8 @@
         ############################
 
         # Print out.
+        if model_records:
+            sys.stdout.write('\n')
         print("CONECT")
 
         # Initialise record counts.