Author: bugman
Date: Thu Jan 29 19:35:06 2015
New Revision: 27376
URL: http://svn.gna.org/viewcvs/relax?rev=27376&view=rev
Log:
Merged revisions 27373-27375 via svnmerge from
svn+ssh://[email protected]/svn/relax/trunk
........
r27373 | bugman | 2015-01-29 19:27:18 +0100 (Thu, 29 Jan 2015) | 6 lines
Fix for the new Internal_selection.count_atoms() internal structural object
selection method.
The method was previously returning the total number of molecules, not the
total number of atoms in
the selection.
........
r27374 | bugman | 2015-01-29 19:28:34 +0100 (Thu, 29 Jan 2015) | 6 lines
Printout fix for the backend of the structure.translate and structure.rotate
user functions.
Model numbers of zero were not correctly identified. This also affects the
structure.align and
structure.superimpose user functions which uses this backend code.
........
r27375 | bugman | 2015-01-29 19:34:32 +0100 (Thu, 29 Jan 2015) | 3 lines
Another fix for the Internal_selection.count_atoms() internal structural
object selection method.
........
Modified:
branches/frame_order_cleanup/ (props changed)
branches/frame_order_cleanup/lib/structure/internal/selection.py
branches/frame_order_cleanup/pipe_control/structure/main.py
Propchange: branches/frame_order_cleanup/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Thu Jan 29 19:35:06 2015
@@ -1 +1 @@
-/trunk:1-27371
+/trunk:1-27375
Modified: branches/frame_order_cleanup/lib/structure/internal/selection.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/structure/internal/selection.py?rev=27376&r1=27375&r2=27376&view=diff
==============================================================================
--- branches/frame_order_cleanup/lib/structure/internal/selection.py
(original)
+++ branches/frame_order_cleanup/lib/structure/internal/selection.py Thu Jan
29 19:35:06 2015
@@ -69,7 +69,17 @@
def count_atoms(self):
"""Return the number of atoms in the selection."""
- return len(self._atom_indices)
+ # No data.
+ if self._atom_indices == []:
+ return 0
+
+ # Sum the atoms of all molecules.
+ sum = 0
+ for i in range(len(self._atom_indices)):
+ sum += len(self._atom_indices[i])
+
+ # Return the sum.
+ return sum
def loop(self):
Modified: branches/frame_order_cleanup/pipe_control/structure/main.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/pipe_control/structure/main.py?rev=27376&r1=27375&r2=27376&view=diff
==============================================================================
--- branches/frame_order_cleanup/pipe_control/structure/main.py (original)
+++ branches/frame_order_cleanup/pipe_control/structure/main.py Thu Jan 29
19:35:06 2015
@@ -1249,7 +1249,7 @@
dp.structure.rotate(R=R, origin=origin, model=model, selection=selection)
# Final printout.
- if model:
+ if model != None:
print("Rotated %i atoms of model %i." % (selection.count_atoms(),
model))
else:
print("Rotated %i atoms." % selection.count_atoms())
@@ -1392,7 +1392,7 @@
dp.structure.translate(T=T, model=model, selection=selection)
# Final printout.
- if model:
+ if model != None:
print("Translated %i atoms of model %i." % (selection.count_atoms(),
model))
else:
print("Translated %i atoms." % selection.count_atoms())
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