Author: bugman
Date: Tue Feb 10 12:07:12 2015
New Revision: 27613
URL: http://svn.gna.org/viewcvs/relax?rev=27613&view=rev
Log:
Merged revisions 27612 via svnmerge from
svn+ssh://[email protected]/svn/relax/trunk
........
r27612 | bugman | 2015-02-10 12:05:01 +0100 (Tue, 10 Feb 2015) | 10 lines
Huge speed up for the assembly of atomic coordinates from a large number of
structures.
The internal structural object validate_models() method was being called once
for each structure
when assembling the atomic coordinates. This resulted in the _translate()
internal structural
object method, which converts all input data to formatted strings, being
called hundreds of millions
of times. The problem was in
lib.structure.internal.coordinates.assemble_atomic_coordinates(), in
that the one_letter_codes() method, which calls validate_models(), was called
for each molecule
encountered. The solution was not to validate models in one_letter_codes().
........
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 Tue Feb 10 12:07:12 2015
@@ -1 +1 @@
-/trunk:1-27606
+/trunk:1-27612
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=27613&r1=27612&r2=27613&view=diff
==============================================================================
--- branches/frame_order_cleanup/lib/structure/internal/object.py
(original)
+++ branches/frame_order_cleanup/lib/structure/internal/object.py Tue Feb
10 12:07:12 2015
@@ -2312,9 +2312,6 @@
# Initialise.
codes = ''
- # Validate the models.
- self.validate_models(verbosity=0)
-
# Use the first model.
model = self.structural_data[0]
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