Author: michaelbieri
Date: Tue Apr 13 06:05:41 2010
New Revision: 11072
URL: http://svn.gna.org/viewcvs/relax?rev=11072&view=rev
Log:
Merged revisions 11053-11059,11070-11071 via svnmerge from
svn+ssh://michaelbieri@xxxxxxxxxxx/svn/relax/1.3
........
r11053 | bugman | 2010-03-29 20:50:39 +1100 (Mon, 29 Mar 2010) | 5 lines
Modified the spheroid diffusion tensor data generation so that Z is the
symmetry axis.
This will allow direct mapping of Euler angles to spherical angles!
........
r11054 | bugman | 2010-03-29 23:46:43 +1100 (Mon, 29 Mar 2010) | 3 lines
Fixes for the tests of the spheroid diffusion tensor.
........
r11055 | bugman | 2010-03-30 02:24:46 +1100 (Tue, 30 Mar 2010) | 3 lines
The unit bond vectors are now normalised using the numpy.linalg.norm()
function.
........
r11056 | bugman | 2010-03-30 02:27:15 +1100 (Tue, 30 Mar 2010) | 5 lines
The simulation of PDB coordinate truncation now occurs after vector scaling
by r.
This should now be a more accurate representation and allow relax to find
these values exactly.
........
r11057 | bugman | 2010-03-30 02:40:08 +1100 (Tue, 30 Mar 2010) | 3 lines
The spheroid diffusion tensor optimisation test now checks the values.
........
r11058 | bugman | 2010-03-30 02:41:46 +1100 (Tue, 30 Mar 2010) | 3 lines
The ellipsoidal diff tensor relaxation data was not fully regenerated in
r11056.
........
r11059 | bugman | 2010-03-30 02:44:32 +1100 (Tue, 30 Mar 2010) | 6 lines
The ellipsoidal diff tensor check in check_ellipsoid() now functions better.
The diffusion elements are scaled down to the order of 1 so that the
assertAlmostEqual() calls do
not fail with tiny machine precision differences.
........
r11070 | bugman | 2010-04-12 23:25:06 +1000 (Mon, 12 Apr 2010) | 5 lines
Bug fix - 'local_mf_model' should have been called 'local_tm_model'.
This problem was identified by Michael
(http://gna.org/task/?6847#comment44).
........
r11071 | bugman | 2010-04-13 00:54:23 +1000 (Tue, 13 Apr 2010) | 8 lines
Correct repetitions spectra (again...)
This corresponds to the patch patch_load__correct_repetitions_spectra from
Michael (in
http://gna.org/support/download.php?file_id=8921).
Repeated spectra are set correctly and unresolved file is read correctly.
........
Modified:
branches/bieri_gui/ (props changed)
branches/bieri_gui/auto_analyses/relax_fit.py
branches/bieri_gui/generic_fns/structure/main.py
branches/bieri_gui/status.py
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.800.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.500.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.600.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.700.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.800.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/generate_data.py
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/NOE.500.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/NOE.600.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/NOE.700.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/NOE.800.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R1.500.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R1.600.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R1.700.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R1.800.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R2.500.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R2.600.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R2.700.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R2.800.out
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/generate_data.py
branches/bieri_gui/test_suite/system_tests/diffusion_tensor.py
branches/bieri_gui/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py
branches/bieri_gui/test_suite/system_tests/scripts/diff_tensor/tensor_opt.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: branches/bieri_gui/auto_analyses/relax_fit.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/auto_analyses/relax_fit.py?rev=11072&r1=11071&r2=11072&view=diff
Modified: branches/bieri_gui/generic_fns/structure/main.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/generic_fns/structure/main.py?rev=11072&r1=11071&r2=11072&view=diff
Modified: branches/bieri_gui/status.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/status.py?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.800.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.800.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.500.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.500.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.600.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.600.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.700.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.700.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.800.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.800.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/generate_data.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/generate_data.py?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/NOE.500.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/NOE.500.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/NOE.600.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/NOE.600.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/NOE.700.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/NOE.700.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/NOE.800.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/NOE.800.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R1.500.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R1.500.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R1.600.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R1.600.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R1.700.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R1.700.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R1.800.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R1.800.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R2.500.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R2.500.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R2.600.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R2.600.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R2.700.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R2.700.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R2.800.out
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/R2.800.out?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/generate_data.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/diffusion_tensor/spheroid/generate_data.py?rev=11072&r1=11071&r2=11072&view=diff
Modified: branches/bieri_gui/test_suite/system_tests/diffusion_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/system_tests/diffusion_tensor.py?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py?rev=11072&r1=11071&r2=11072&view=diff
Modified:
branches/bieri_gui/test_suite/system_tests/scripts/diff_tensor/tensor_opt.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/system_tests/scripts/diff_tensor/tensor_opt.py?rev=11072&r1=11071&r2=11072&view=diff
r11072 - in /branches/bieri_gui: ./ auto_analyses/ generic_fns/structure/ test_suite/shared_data/diffusion_tensor/ test_suit...