Author: bugman
Date: Fri Nov 21 10:30:07 2014
New Revision: 26682
URL: http://svn.gna.org/viewcvs/relax?rev=26682&view=rev
Log:
Merged revisions 26679,26681 via svnmerge from
svn+ssh://[email protected]/svn/relax/trunk
........
r26679 | bugman | 2014-11-21 10:12:42 +0100 (Fri, 21 Nov 2014) | 3 lines
Fix for the unit tests to match r26656 - Python 2.5 floats do not have a
'real' property.
........
r26681 | bugman | 2014-11-21 10:29:34 +0100 (Fri, 21 Nov 2014) | 9 lines
Bug fix for the lib.structure.angles.angles_*() functions for odd increments.
This affects the PDB representations of the diffusion tensor and frame order
when the number of
increments in the respective user functions is set to an odd number. It
really only affects the
frame_order.pdb_model user functions, as the number of increments cannot be
set in any of the other
user functions (structure.create_diff_tensor_pdb, structure.create_rotor_pdb,
structure.create_vector_dist, n_state_model.cone_pdb).
........
Modified:
branches/frame_order_cleanup/ (props changed)
branches/frame_order_cleanup/lib/structure/angles.py
branches/frame_order_cleanup/test_suite/unit_tests/_data_store/test_align_tensor.py
Propchange: branches/frame_order_cleanup/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Fri Nov 21 10:30:07 2014
@@ -1 +1 @@
-/trunk:1-26673
+/trunk:1-26681
Modified: branches/frame_order_cleanup/lib/structure/angles.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/structure/angles.py?rev=26682&r1=26681&r2=26682&view=diff
==============================================================================
--- branches/frame_order_cleanup/lib/structure/angles.py (original)
+++ branches/frame_order_cleanup/lib/structure/angles.py Fri Nov 21
10:30:07 2014
@@ -40,9 +40,9 @@
u[i] = float(i) * val
# Generate the increment values of v.
- v = zeros(inc/2+1, float64)
- val = 1.0 / float(inc/2)
- for i in range(int(inc/2+1)):
+ v = zeros(int(inc/2.0+1.0), float64)
+ val = 1.0 / float(inc/2.0)
+ for i in range(int(inc/2.0+1.0)):
v[i] = float(i) * val
# Generate the distribution of spherical angles theta.
@@ -73,9 +73,9 @@
u[i] = float(i) * val
# Generate the increment values of v.
- v = zeros(inc/2+2, float64)
- val = 1.0 / float(inc/2)
- for i in range(1, int(inc/2)+1):
+ v = zeros(int(inc/2.0+2.0), float64)
+ val = 1.0 / float(inc/2.0)
+ for i in range(1, int(inc/2.0)+1):
v[i] = float(i-1) * val + val/2.0
v[-1] = 1.0
Modified:
branches/frame_order_cleanup/test_suite/unit_tests/_data_store/test_align_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/unit_tests/_data_store/test_align_tensor.py?rev=26682&r1=26681&r2=26682&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/unit_tests/_data_store/test_align_tensor.py
(original)
+++
branches/frame_order_cleanup/test_suite/unit_tests/_data_store/test_align_tensor.py
Fri Nov 21 10:30:07 2014
@@ -140,7 +140,7 @@
print("DATA IRREDUCIBLE GENERAL_MAGNITUDE 1.0816e-03")
print("")
print("Calculated values:\n")
- print("A0: %15.4e" % self.align_data.A0.real)
+ print("A0: %15.4e" % self.align_data.A0)
print("A1: %15.4e %11.4ei" % (self.align_data.A1.real,
self.align_data.A1.imag))
print("Am1: %15.4e %11.4ei" % (self.align_data.Am1.real,
self.align_data.Am1.imag))
print("A2: %15.4e %11.4ei" % (self.align_data.A2.real,
self.align_data.A2.imag))
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