r28226 - /trunk/lib/structure/internal/object.py -- June 07, 2016 - 17:27

Author: bugman
Date: Tue Jun  7 17:27:04 2016
New Revision: 28226

URL: http://svn.gna.org/viewcvs/relax?rev=28226&view=rev
Log:
Huge speed up for the superimposition of a large number of structures.

The internal structural object validate_models() method was being called once 
for each structure
via the selection() method prior performing the translations, and once prior 
to performing the
rotations, for creating the atomic selection object.  This resulted in the 
_translate() internal
structural object method, which converts all input data to formatted strings, 
being called hundreds
of millions of times.  Therefore selection() method no longer calls 
validate_models().

This may speed up quite a number of internal structure object methods when 
large numbers of
structures are present.


Modified:
    trunk/lib/structure/internal/object.py

Modified: trunk/lib/structure/internal/object.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/internal/object.py?rev=28226&r1=28225&r2=28226&view=diff
==============================================================================
--- trunk/lib/structure/internal/object.py      (original)
+++ trunk/lib/structure/internal/object.py      Tue Jun  7 17:27:04 2016
@@ -2668,9 +2668,6 @@
         if atom_id:
             sel_obj = Selection(atom_id)
 
-        # Validate the models.
-        self.validate_models(verbosity=0)
-
         # Obtain all data from the first model (except the position data).
         model = self.structural_data[0]