Author: tlinnet
Date: Wed May 28 11:34:56 2014
New Revision: 23501
URL: http://svn.gna.org/viewcvs/relax?rev=23501&view=rev
Log:
Merged revisions 23488,23490-23493,23495-23500 via svnmerge from
svn+ssh://tlin...@svn.gna.org/svn/relax/trunk
r23488 | bugman | 2014-05-28 08:59:22 +
Author: tlinnet
Date: Wed May 28 11:49:21 2014
New Revision: 23503
URL: http://svn.gna.org/viewcvs/relax?rev=23503&view=rev
Log:
Removed the 8th unit test for model NS CPMG 2site 3D.
This was the catching of errors when kex=1e20.
The model cannot handle this situations, and we need to le
Author: tlinnet
Date: Wed May 28 11:49:17 2014
New Revision: 23502
URL: http://svn.gna.org/viewcvs/relax?rev=23502&view=rev
Log:
Removed nested looping of returning back_calc in lib/ns_cpmg_2site_3d.
Modified:
branches/disp_speed/lib/dispersion/ns_cpmg_2site_3d.py
Modified: bran
Author: tlinnet
Date: Wed May 28 11:57:31 2014
New Revision: 23504
URL: http://svn.gna.org/viewcvs/relax?rev=23504&view=rev
Log:
Removed the 8th unit test for model NS CPMG 2site extended.
This was the catching of errors when kex has high values.
The model cannot handle this situations, an
Author: tlinnet
Date: Wed May 28 12:04:27 2014
New Revision: 23507
URL: http://svn.gna.org/viewcvs/relax?rev=23507&view=rev
Log:
Modified the dim dimensions to (None, 3) to allow the user to change number of
points in the GUI.
This is for the user function dx.map.
Modified:
t
Author: tlinnet
Date: Wed May 28 12:09:37 2014
New Revision: 23508
URL: http://svn.gna.org/viewcvs/relax?rev=23508&view=rev
Log:
Modified the dim dimensions to (None, 4) to allow the user to change number of
points in the GUI.
THe first dimension was used as a counter, the last 3 dimension
Author: tlinnet
Date: Wed May 28 15:05:21 2014
New Revision: 23514
URL: http://svn.gna.org/viewcvs/relax?rev=23514&view=rev
Log:
Reverted r23508-23507 as the correct is dimensions (None, 3) for x,y,x
positions.
The command used was:
svn merge -r23508:23507 .
.
Modified the
Author: tlinnet
Date: Wed May 28 16:49:00 2014
New Revision: 23526
URL: http://svn.gna.org/viewcvs/relax?rev=23526&view=rev
Log:
Added the default value lower grid value to be set for the pA parameter.
This is added in the collected table of
specific_analysis/relax_disp/parameter_objec
Author: tlinnet
Date: Wed May 28 16:49:02 2014
New Revision: 23527
URL: http://svn.gna.org/viewcvs/relax?rev=23527&view=rev
Log:
Added grid_lower to be handled in specific_analyses/parameter_object.py.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion mo
Author: tlinnet
Date: Wed May 28 16:49:05 2014
New Revision: 23529
URL: http://svn.gna.org/viewcvs/relax?rev=23529&view=rev
Log:
Added grid_upper to be handled in specific_analyses/parameter_object.py.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion mo
Author: tlinnet
Date: Wed May 28 16:49:08 2014
New Revision: 23531
URL: http://svn.gna.org/viewcvs/relax?rev=23531&view=rev
Log:
Added 9th and 10th unit test case for model B14.
These tests are setup, to check how the function behaves under conditions of
the grid-seach.
Two tests are s
Author: tlinnet
Date: Wed May 28 16:49:06 2014
New Revision: 23530
URL: http://svn.gna.org/viewcvs/relax?rev=23530&view=rev
Log:
Added all the default values for the lower/upper bounds which is set for the
parameters in the grid search.
This is added in the collected table of
specific_anal
Author: tlinnet
Date: Wed May 28 16:49:03 2014
New Revision: 23528
URL: http://svn.gna.org/viewcvs/relax?rev=23528&view=rev
Log:
Added the default value upper grid value to be set for the pA parameter.
This is added in the collected table of
specific_analysis/relax_disp/parameter_objec
Author: tlinnet
Date: Wed May 28 17:33:45 2014
New Revision: 23538
URL: http://svn.gna.org/viewcvs/relax?rev=23538&view=rev
Log:
Merged revisions 23505-23521,23532 via svnmerge from
svn+ssh://tlin...@svn.gna.org/svn/relax/trunk
r23505 | bugman | 2014-05-28 11:58:29 +0200 (Wed, 28
Author: tlinnet
Date: Wed May 28 17:55:10 2014
New Revision: 23546
URL: http://svn.gna.org/viewcvs/relax?rev=23546&view=rev
Log:
Reverted r23531-23526 as this would prevent a clean merge back into the trunk.
The parameter_object changes should be perfomed in its own branch.
And there was n
Author: tlinnet
Date: Wed May 28 18:03:15 2014
New Revision: 23548
URL: http://svn.gna.org/viewcvs/relax?rev=23548&view=rev
Log:
Fix for differences in systemtests which are different from trunk.
These were found with the command:
diff -bur disp_speed/test_suite/ relax_trunk/test_suite/ |
Author: tlinnet
Date: Wed May 28 18:09:55 2014
New Revision: 23550
URL: http://svn.gna.org/viewcvs/relax?rev=23550&view=rev
Log:
Merged revisions 23542,23545,23547 via svnmerge from
svn+ssh://tlin...@svn.gna.org/svn/relax/trunk
r23542 | bugman | 2014-05-28 17:47:00 +0200 (Wed, 28
Author: tlinnet
Date: Wed May 28 18:08:27 2014
New Revision: 23549
URL: http://svn.gna.org/viewcvs/relax?rev=23549&view=rev
Log:
FIx for incorrectly svnmerge command.
To complete the full reverse, I should have gone one reversion number down.
The command used was:
svn merge -r23526:2
Author: tlinnet
Date: Wed May 28 19:17:11 2014
New Revision: 23564
URL: http://svn.gna.org/viewcvs/relax?rev=23564&view=rev
Log:
Converting back to having back_calc as a function argument to model CR72:
This is to clean up the API.
There can be bo no partial measures/implementations in the r
Author: tlinnet
Date: Wed May 28 19:17:08 2014
New Revision: 23563
URL: http://svn.gna.org/viewcvs/relax?rev=23563&view=rev
Log:
Converting back to having back_calc as a function argument to model B14.
This is to clean up the API.
There can be bo no partial measures/implementations in the r
Author: tlinnet
Date: Wed May 28 19:17:19 2014
New Revision: 23566
URL: http://svn.gna.org/viewcvs/relax?rev=23566&view=rev
Log:
Converting back to having back_calc as a function argument to model DPL94:
This is to clean up the API.
There can be bo no partial measures/implementations in
Author: tlinnet
Date: Wed May 28 19:17:27 2014
New Revision: 23567
URL: http://svn.gna.org/viewcvs/relax?rev=23567&view=rev
Log:
Converting back to having back_calc as a function argument to model IT99:
This is to clean up the API.
There can be bo no partial measures/implementations in the r
Author: tlinnet
Date: Wed May 28 19:22:17 2014
New Revision: 23569
URL: http://svn.gna.org/viewcvs/relax?rev=23569&view=rev
Log:
Converting back to having back_calc as a function argument to model LM63:
This is to clean up the API.
There can be bo no partial measures/implementations in the r
Author: tlinnet
Date: Thu May 29 11:29:25 2014
New Revision: 23581
URL: http://svn.gna.org/viewcvs/relax?rev=23581&view=rev
Log:
Converting back to having back_calc as a function argument to model M61:
This is to clean up the API.
There can be bo no partial measures/implementations in the r
Author: tlinnet
Date: Thu May 29 11:35:35 2014
New Revision: 23582
URL: http://svn.gna.org/viewcvs/relax?rev=23582&view=rev
Log:
Converting back to having back_calc as a function argument to model M61b:
This is to clean up the API.
There can be bo no partial measures/implementations in the r
Author: tlinnet
Date: Thu May 29 11:52:39 2014
New Revision: 23584
URL: http://svn.gna.org/viewcvs/relax?rev=23584&view=rev
Log:
Converting back to having back_calc as a function argument to model MP05:
This is to clean up the API.
There can be bo no partial measures/implementations in the r
Author: tlinnet
Date: Thu May 29 11:52:37 2014
New Revision: 23583
URL: http://svn.gna.org/viewcvs/relax?rev=23583&view=rev
Log:
Converting back to having back_calc as a function argument to model MMQ CR72:
This is to clean up the API.
There can be bo no partial measures/implementations in
Author: tlinnet
Date: Thu May 29 12:24:25 2014
New Revision: 23586
URL: http://svn.gna.org/viewcvs/relax?rev=23586&view=rev
Log:
Converting back to having back_calc as a function argument to model TAP03.
This is to clean up the API.
There can be bo no partial measures/implementations in
Author: tlinnet
Date: Thu May 29 12:24:23 2014
New Revision: 23585
URL: http://svn.gna.org/viewcvs/relax?rev=23585&view=rev
Log:
Converting back to having back_calc as a function argument to model NS CPMG
2site expanded.
This is to clean up the API.
There can be bo no partial meas
Author: tlinnet
Date: Thu May 29 12:33:36 2014
New Revision: 23588
URL: http://svn.gna.org/viewcvs/relax?rev=23588&view=rev
Log:
Converting back to having back_calc as a function argument to model TSMFK01.
This is to clean up the API.
There can be bo no partial measures/implementations in
Author: tlinnet
Date: Thu May 29 12:33:34 2014
New Revision: 23587
URL: http://svn.gna.org/viewcvs/relax?rev=23587&view=rev
Log:
Converting back to having back_calc as a function argument to model TP02.
This is to clean up the API.
There can be bo no partial measures/implementations in the r
Author: tlinnet
Date: Thu May 29 13:05:53 2014
New Revision: 23589
URL: http://svn.gna.org/viewcvs/relax?rev=23589&view=rev
Log:
Merged revisions 23551,23554-23562,23568,23571-23572,23574,23577-23579 via
svnmerge from
svn+ssh://tlin...@svn.gna.org/svn/relax/trunk
r23551 | bu
Author: tlinnet
Date: Thu May 29 14:24:21 2014
New Revision: 23602
URL: http://svn.gna.org/viewcvs/relax?rev=23602&view=rev
Log:
This branch was never used.
Removed:
branches/disp_speed_compare/
___
relax (http://www.nmr-relax.com)
This is
Author: tlinnet
Date: Thu Jun 5 14:19:55 2014
New Revision: 23651
URL: http://svn.gna.org/viewcvs/relax?rev=23651&view=rev
Log:
Added profiling script for testing the lib/dispersion/cr72.py file.
This script creates the relax datastructures, and issues the call to the target
function.
It
Author: tlinnet
Date: Fri Jun 6 17:12:13 2014
New Revision: 23701
URL: http://svn.gna.org/viewcvs/relax?rev=23701&view=rev
Log:
Fix for the wrong unpacking of R20A and R20B in model CR72 full.
bug #22146: (https://gna.org/bugs/?22146) Unpacking of R2A and R2B is performed
wrong for clust
Author: tlinnet
Date: Fri Jun 6 17:12:06 2014
New Revision: 23700
URL: http://svn.gna.org/viewcvs/relax?rev=23700&view=rev
Log:
Implemented systemtest Relax_disp.test_bug_22146_unpacking_r2a_r2b_cluster.
This is to catch the wrong un-packing of R2A and R2B when performing a
clustered
Author: tlinnet
Date: Fri Jun 6 17:26:26 2014
New Revision: 23702
URL: http://svn.gna.org/viewcvs/relax?rev=23702&view=rev
Log:
Extended systemtest Relax_disp.test_bug_22146_unpacking_r2a_r2b_cluster for B14
full model.
This is to catch the wrong un-packing of R2A and R2B when performi
Author: tlinnet
Date: Fri Jun 6 17:26:28 2014
New Revision: 23703
URL: http://svn.gna.org/viewcvs/relax?rev=23703&view=rev
Log:
Fix for the wrong unpacking of R20A and R20B in model B14 full.
bug #22146: (https://gna.org/bugs/?22146) Unpacking of R2A and R2B is performed
wrong for clust
Author: tlinnet
Date: Fri Jun 6 17:26:37 2014
New Revision: 23705
URL: http://svn.gna.org/viewcvs/relax?rev=23705&view=rev
Log:
Fix for the wrong unpacking of R20A and R20B in model NS CPMG 2SITE 3D full
model.
bug #22146: (https://gna.org/bugs/?22146) Unpacking of R2A and R2B is perfo
Author: tlinnet
Date: Fri Jun 6 17:26:36 2014
New Revision: 23704
URL: http://svn.gna.org/viewcvs/relax?rev=23704&view=rev
Log:
Extended systemtest Relax_disp.test_bug_22146_unpacking_r2a_r2b_cluster for NS
CPMG 2SITE 3D full model.
This is to catch the wrong un-packing of R2A and R2B
Author: tlinnet
Date: Fri Jun 6 17:37:48 2014
New Revision: 23706
URL: http://svn.gna.org/viewcvs/relax?rev=23706&view=rev
Log:
Extended systemtest Relax_disp.test_bug_22146_unpacking_r2a_r2b_cluster for NS
CPMG 2SITE STAR full model.
This is to catch the wrong un-packing of R2A and R2B
Author: tlinnet
Date: Fri Jun 6 17:37:52 2014
New Revision: 23708
URL: http://svn.gna.org/viewcvs/relax?rev=23708&view=rev
Log:
Added synthetic data generator script, which created the data to test against.
bug #22146: (https://gna.org/bugs/?22146) Unpacking of R2A and R2B is performed
w
Author: tlinnet
Date: Fri Jun 6 17:37:50 2014
New Revision: 23707
URL: http://svn.gna.org/viewcvs/relax?rev=23707&view=rev
Log:
Fix for the wrong unpacking of R20A and R20B in model NS CPMG 2SITE STAR full
model.
bug #22146: (https://gna.org/bugs/?22146) Unpacking of R2A and R2B is perfo
Author: tlinnet
Date: Fri Jun 6 18:11:33 2014
New Revision: 23715
URL: http://svn.gna.org/viewcvs/relax?rev=23715&view=rev
Log:
Split systemtest Relax_disp.test_bug_22146_unpacking_r2a_r2b_cluster up in
different tests.
A setup function which is:
setup_bug_22146_unpacking_r2a_r2b_cluster(
Author: tlinnet
Date: Fri Jun 6 18:46:00 2014
New Revision: 23718
URL: http://svn.gna.org/viewcvs/relax?rev=23718&view=rev
Log:
This is a branch created for Task 7807, Speed-up of dispersion models for
Clustered analysis.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of disper
Author: tlinnet
Date: Fri Jun 6 19:13:10 2014
New Revision: 23719
URL: http://svn.gna.org/viewcvs/relax?rev=23719&view=rev
Log:
Initialized merge tracking via "svnmerge" with revisions "1-23717" from
svn+ssh://tlin...@svn.gna.org/svn/relax/trunk
Modified:
branches/d
Author: tlinnet
Date: Fri Jun 6 22:03:27 2014
New Revision: 23720
URL: http://svn.gna.org/viewcvs/relax?rev=23720&view=rev
Log:
Modified profiling script, to get closer to the implementation in relax.
An additional test function is setup to figure out how to reshape the numpy
arrays in
Author: tlinnet
Date: Sat Jun 7 15:59:49 2014
New Revision: 23721
URL: http://svn.gna.org/viewcvs/relax?rev=23721&view=rev
Log:
Merged revisions 23720 via svnmerge from
svn+ssh://tlin...@svn.gna.org/svn/relax/trunk
r23720 | tlinnet | 2014-06-06 22:03:27 +0200 (Fri, 06 Jun 2014)
Author: tlinnet
Date: Sat Jun 7 21:43:19 2014
New Revision: 23723
URL: http://svn.gna.org/viewcvs/relax?rev=23723&view=rev
Log:
Initial try to alter the target function calc_CR72_chi2.
This is the first test to restructure the arrays, to allow for higher
dimensional computation.
All n
Author: tlinnet
Date: Sat Jun 7 21:43:16 2014
New Revision: 23722
URL: http://svn.gna.org/viewcvs/relax?rev=23722&view=rev
Log:
Modified profiling script to have different number of NCYC points per frequency.
This is to complicate the data, so any errournous reshaping of data is
discovered
Author: tlinnet
Date: Sat Jun 7 21:43:21 2014
New Revision: 23724
URL: http://svn.gna.org/viewcvs/relax?rev=23724&view=rev
Log:
Temporary changed the lib/dispersion/cr72.py function to unsafe state.
This change turns-off all the safety measures, since they have to be
re-implemented
for hi
Author: tlinnet
Date: Sat Jun 7 22:36:00 2014
New Revision: 23725
URL: http://svn.gna.org/viewcvs/relax?rev=23725&view=rev
Log:
Altered profiling script to report cumulative timings and save to temporary
files.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion mo
Author: tlinnet
Date: Sat Jun 7 23:18:15 2014
New Revision: 23726
URL: http://svn.gna.org/viewcvs/relax?rev=23726&view=rev
Log:
Added print out of chi2 to profile script.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clustered analysis.
Modi
Author: tlinnet
Date: Sat Jun 7 23:18:18 2014
New Revision: 23727
URL: http://svn.gna.org/viewcvs/relax?rev=23727&view=rev
Log:
Moved the creation of special numpy structures outside target function.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clust
Author: tlinnet
Date: Sun Jun 8 13:14:38 2014
New Revision: 23730
URL: http://svn.gna.org/viewcvs/relax?rev=23730&view=rev
Log:
In profiling script, moved up the calculation of values one level.
This is to better see the output of the profiling iterations for cr72.py.
Task #7807 (h
Author: tlinnet
Date: Sun Jun 8 13:14:36 2014
New Revision: 23729
URL: http://svn.gna.org/viewcvs/relax?rev=23729&view=rev
Log:
Removing looping over exp and offset indicies in calc_chi2. They are always 0
anyway.
This brings a little speed.
Task #7807 (https://gna.org/task/index.php?
Author: tlinnet
Date: Sun Jun 8 13:14:34 2014
New Revision: 23728
URL: http://svn.gna.org/viewcvs/relax?rev=23728&view=rev
Log:
Modified profiling script to calculate correct values when setting up R2eff
values.
This is to test, that the return of chi2 gets zero.
Task #7807 (https://gna
Author: tlinnet
Date: Sun Jun 8 19:48:27 2014
New Revision: 23733
URL: http://svn.gna.org/viewcvs/relax?rev=23733&view=rev
Log:
Important fix for extracting the correct shape to create new arrays.
If using just one field, or having the same number of dispersion points, the
shape would ex
Author: tlinnet
Date: Sun Jun 8 19:48:23 2014
New Revision: 23731
URL: http://svn.gna.org/viewcvs/relax?rev=23731&view=rev
Log:
Fix for calculation of the larmor frequency per spin in profiling script.
The frq loop should also be up-shifted.
It was now extracted as 0.0.
Task #7807 (h
Author: tlinnet
Date: Sun Jun 8 19:48:33 2014
New Revision: 23736
URL: http://svn.gna.org/viewcvs/relax?rev=23736&view=rev
Log:
Added unit tests demonstrating edge cases 'no Rex' failures of the model 'CR72
full', for a clustered multi dimensional calculation.
This is i
Author: tlinnet
Date: Sun Jun 8 19:48:29 2014
New Revision: 23734
URL: http://svn.gna.org/viewcvs/relax?rev=23734&view=rev
Log:
Made it easier to switch between single and cluster reporting in profiling
script.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion mo
Author: tlinnet
Date: Sun Jun 8 19:48:37 2014
New Revision: 23738
URL: http://svn.gna.org/viewcvs/relax?rev=23738&view=rev
Log:
Added unit tests demonstrating edge cases 'no Rex' failures of the model 'CR72
full', for a clustered multi dimensional calculation.
This
Author: tlinnet
Date: Sun Jun 8 19:48:31 2014
New Revision: 23735
URL: http://svn.gna.org/viewcvs/relax?rev=23735&view=rev
Log:
Important fix for the creation of the multi dimensional pA numpy array.
It should be created as numpy.zeros([ei][si][mi][oi]) instead of
numpy.ones([ei][si][mi
Author: tlinnet
Date: Sun Jun 8 19:48:25 2014
New Revision: 23732
URL: http://svn.gna.org/viewcvs/relax?rev=23732&view=rev
Log:
Re-inserted safety checks in lin/dispersion/cr72.py file.
This is re-inserted for the rank_1 cases.
This makes the unit-tests pass again.
Task #7807 (https://gna
Author: tlinnet
Date: Sun Jun 8 19:48:35 2014
New Revision: 23737
URL: http://svn.gna.org/viewcvs/relax?rev=23737&view=rev
Log:
Re-implemented safety checks in lib/dispersion/cr72.py.
This is now implemented for both rank-1 float array and of higher dimensions.
This makes the unit tests
Author: tlinnet
Date: Sun Jun 8 19:48:38 2014
New Revision: 23739
URL: http://svn.gna.org/viewcvs/relax?rev=23739&view=rev
Log:
Changed that special numpy structure is also created for "CR72".
This makes most system tests pass.
Task #7807 (https://gna.org/task/index.php?7807
Author: tlinnet
Date: Sun Jun 8 22:22:26 2014
New Revision: 23742
URL: http://svn.gna.org/viewcvs/relax?rev=23742&view=rev
Log:
Created multi dimensional error and value numpy arrays.
This is to calculate the chi2 sum much faster.
Reordered the loop over missing data points, so it is
Author: tlinnet
Date: Sun Jun 8 22:22:24 2014
New Revision: 23741
URL: http://svn.gna.org/viewcvs/relax?rev=23741&view=rev
Log:
Added self.has_missing keyword in initialization of the Dispersion class.
This is to test once, per spin or cluster.
This saves a looping over the dipsersion po
Author: tlinnet
Date: Sun Jun 8 22:22:22 2014
New Revision: 23740
URL: http://svn.gna.org/viewcvs/relax?rev=23740&view=rev
Log:
Critical fix for the slicing of values in target function.
This makes system test: Relax_disp.test_sod1wt_t25_to_cr72 pass.
Task #7807 (https://gna.org/task/index
Author: tlinnet
Date: Sun Jun 8 22:42:55 2014
New Revision: 23743
URL: http://svn.gna.org/viewcvs/relax?rev=23743&view=rev
Log:
Updated profiling text for CR72 model.
Now it is tested for 3 fields.
This is related to:
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of disper
Author: tlinnet
Date: Sun Jun 8 22:44:17 2014
New Revision: 23744
URL: http://svn.gna.org/viewcvs/relax?rev=23744&view=rev
Log:
Merged revisions 23743 via svnmerge from
svn+ssh://tlin...@svn.gna.org/svn/relax/trunk
r23743 | tlinnet | 2014-06-08 22:42:55 +0200 (Sun, 08 Jun 2014)
Author: tlinnet
Date: Sun Jun 8 23:44:45 2014
New Revision: 23746
URL: http://svn.gna.org/viewcvs/relax?rev=23746&view=rev
Log:
Changed all the creation of special numpy arrays to be of float64 type.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clust
Author: tlinnet
Date: Sun Jun 8 23:44:44 2014
New Revision: 23745
URL: http://svn.gna.org/viewcvs/relax?rev=23745&view=rev
Log:
Swith the looping from spin->frq to frq->spin.
Since the number of dispersion points are the same for all spins, this
allows to move the calculation of
Author: tlinnet
Date: Sun Jun 8 23:56:36 2014
New Revision: 23748
URL: http://svn.gna.org/viewcvs/relax?rev=23748&view=rev
Log:
Just a tiny little more speed, by removing temporary storage of chi2
calculation.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
Author: tlinnet
Date: Sun Jun 8 23:54:41 2014
New Revision: 23747
URL: http://svn.gna.org/viewcvs/relax?rev=23747&view=rev
Log:
Moved the data filling of special numpy array errors and values, to
initialization of Dispersion class.
These values does not change, and can safely be stored out
Author: tlinnet
Date: Mon Jun 9 00:09:59 2014
New Revision: 23749
URL: http://svn.gna.org/viewcvs/relax?rev=23749&view=rev
Log:
Changed all calls to numpy np.X functions to just the numpy function.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clust
Author: tlinnet
Date: Mon Jun 9 00:49:15 2014
New Revision: 23751
URL: http://svn.gna.org/viewcvs/relax?rev=23751&view=rev
Log:
Changed all calls to numpy np.X functions to just the numpy function in
lib/dispersion/cr72.py.
Task #7807 (https://gna.org/task/index.php?7807): Speed-u
Author: tlinnet
Date: Mon Jun 9 00:49:14 2014
New Revision: 23750
URL: http://svn.gna.org/viewcvs/relax?rev=23750&view=rev
Log:
Removed unused import of numpy.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clustered analysis.
Modified:
bran
Author: tlinnet
Date: Mon Jun 9 00:49:18 2014
New Revision: 23752
URL: http://svn.gna.org/viewcvs/relax?rev=23752&view=rev
Log:
Removed unused import of numpy.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clustered analysis.
Modified:
bran
Author: tlinnet
Date: Mon Jun 9 19:23:21 2014
New Revision: 23753
URL: http://svn.gna.org/viewcvs/relax?rev=23753&view=rev
Log:
Added searching for enviroment variable PYTHON_INCLUDE_DIR if Python.h is not
found in
standard python library.
This can be very handsome, if one has a python vir
Author: tlinnet
Date: Mon Jun 9 19:46:20 2014
New Revision: 23756
URL: http://svn.gna.org/viewcvs/relax?rev=23756&view=rev
Log:
Small fix for the indicies to the errors and values numpy array.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clust
Author: tlinnet
Date: Mon Jun 9 19:46:19 2014
New Revision: 23755
URL: http://svn.gna.org/viewcvs/relax?rev=23755&view=rev
Log:
Added a self.frqs_a as a multidimensional numpy array.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clustered anal
Author: tlinnet
Date: Mon Jun 9 19:46:25 2014
New Revision: 23758
URL: http://svn.gna.org/viewcvs/relax?rev=23758&view=rev
Log:
Moved the calculation of dw_frq out of spin and spectrometer loop.
This is done by having a special 1/0 spin numpy array, which turns on or off
the values in
Author: tlinnet
Date: Mon Jun 9 19:46:22 2014
New Revision: 23757
URL: http://svn.gna.org/viewcvs/relax?rev=23757&view=rev
Log:
Lowered the number of iterations to the profiling scripts.
This is to use the profiling script as bug finder.
Task #7807 (https://gna.org/task/index.php?7807): S
Author: tlinnet
Date: Mon Jun 9 19:46:17 2014
New Revision: 23754
URL: http://svn.gna.org/viewcvs/relax?rev=23754&view=rev
Log:
Made copies of numpy arrays instead of creating from new.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clustered anal
Author: tlinnet
Date: Mon Jun 9 19:50:27 2014
New Revision: 23759
URL: http://svn.gna.org/viewcvs/relax?rev=23759&view=rev
Log:
Merged revisions 23753 via svnmerge from
svn+ssh://tlin...@svn.gna.org/svn/relax/trunk
r23753 | tlinnet | 2014-06-09 19:23:21 +0200 (Mon, 09 Jun 2014)
Author: tlinnet
Date: Tue Jun 10 01:01:57 2014
New Revision: 23764
URL: http://svn.gna.org/viewcvs/relax?rev=23764&view=rev
Log:
Made the back_calc array be initiated as copy of the values array.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clust
Author: tlinnet
Date: Tue Jun 10 01:01:59 2014
New Revision: 23765
URL: http://svn.gna.org/viewcvs/relax?rev=23765&view=rev
Log:
Small edit to profiling script, to help bug finding.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clustered analysis.
Modi
Author: tlinnet
Date: Tue Jun 10 01:01:53 2014
New Revision: 23762
URL: http://svn.gna.org/viewcvs/relax?rev=23762&view=rev
Log:
Removed all looping over spin and spectrometer frequency.
This is the last loop!
Wuhu.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion mo
Author: tlinnet
Date: Tue Jun 10 01:01:49 2014
New Revision: 23760
URL: http://svn.gna.org/viewcvs/relax?rev=23760&view=rev
Log:
Moved the calculation of pA and kex out off all loopes.
This was done by having two special 1/0 spin structure arrays.
Task #7807 (https://gna.org/task/index.php?
Author: tlinnet
Date: Tue Jun 10 01:02:00 2014
New Revision: 23766
URL: http://svn.gna.org/viewcvs/relax?rev=23766&view=rev
Log:
Fixed that arrays are correctly initiated with one or zero values.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clust
Author: tlinnet
Date: Tue Jun 10 01:02:06 2014
New Revision: 23769
URL: http://svn.gna.org/viewcvs/relax?rev=23769&view=rev
Log:
Restored profiling script to normal.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clustered analysis.
Modified:
bran
Author: tlinnet
Date: Tue Jun 10 01:02:02 2014
New Revision: 23767
URL: http://svn.gna.org/viewcvs/relax?rev=23767&view=rev
Log:
Very important fix, for only replacing part of data array which have Nan values.
Before, all values were replaced, which was wrong.
Task #7807 (https://gna.org/
Author: tlinnet
Date: Tue Jun 10 01:02:04 2014
New Revision: 23768
URL: http://svn.gna.org/viewcvs/relax?rev=23768&view=rev
Log:
Needed to increase the relative tolerance when testing if pA array is 1.
Now system test Relax_disp.test_hansen_cpmg_data_missing_auto_analysis passes.
Also a
Author: tlinnet
Date: Tue Jun 10 01:01:51 2014
New Revision: 23761
URL: http://svn.gna.org/viewcvs/relax?rev=23761&view=rev
Log:
Removed dw_frq_a numpy array, as it was not necessary.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clustered anal
Author: tlinnet
Date: Tue Jun 10 01:01:55 2014
New Revision: 23763
URL: http://svn.gna.org/viewcvs/relax?rev=23763&view=rev
Log:
Reordered arrays for beauty of code.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models
for Clustered analysis.
Modified:
bran
Author: tlinnet
Date: Tue Jun 10 01:21:14 2014
New Revision: 23770
URL: http://svn.gna.org/viewcvs/relax?rev=23770&view=rev
Log:
Made the logic and comments much clearer about how to reshape, expand axis, and
tile numpy arrays.
Task #7807 (https://gna.org/task/index.php?7807): Speed-u
Author: tlinnet
Date: Tue Jun 10 11:49:00 2014
New Revision: 23784
URL: http://svn.gna.org/viewcvs/relax?rev=23784&view=rev
Log:
Lowered chi2 value test in system test
Relax_disp.test_bug_22146_unpacking_r2a_r2b_cluster_NS_STAR.
This is due to the data produced on 32 bit machine, and teste
Author: tlinnet
Date: Tue Jun 10 12:23:01 2014
New Revision: 23785
URL: http://svn.gna.org/viewcvs/relax?rev=23785&view=rev
Log:
Fix for wrong path testing of Python.h.
Python.h would be in PYTHON_PREFIX/include/pythonX.Y/Python.h
and not in:
PYTHON_PREFIX/include/Python.h
Modified:
t
Author: tlinnet
Date: Tue Jun 10 12:26:28 2014
New Revision: 23786
URL: http://svn.gna.org/viewcvs/relax?rev=23786&view=rev
Log:
Merged revisions 23774,23779-23781,23784-23785 via svnmerge from
svn+ssh://tlin...@svn.gna.org/svn/relax/trunk
r23774 | bugman | 2014-06-10 09:40:22 +
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