relax / SVN archive Commit Log

Commit	Date
[r25718] by tlinnet For the class of repeated analysis, implemented method to collect peak intensity, and function to plot the correlation. Task #7826 (https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.	2014-09-09 16:18:11	Tree
[r25717] by tlinnet Fix for two-point calculatation of exponential curve with corrupted data. The two-point calculatation calculation is now also skipped, if the measured intensity is 0. This can happen for corrupted intensity files.	2014-09-09 13:07:37	Tree
[r25716] by tlinnet Fix for calling correct folder with test intensities. Task #7826 (https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.	2014-09-09 13:07:34	Tree
[r25715] by bugman Extended the Frame_order.test_axis_permutation system test to check frame_order.permute_axes twice. This will check that two calls to the frame_order.permute_axes user function will restore the original parameter values.	2014-09-09 12:29:43	Tree
[r25714] by bugman Fix for the Frame_order.test_axis_permutation system test. The motional eigenframe in the old log file was not exactly correct and did not correspond exactly to the Euler angles in the cam_pseudo_ellipse.bz2 results file in test_suite/shared_data/frame_order/axis_permutations/.	2014-09-09 12:25:41	Tree
[r25713] by bugman Implemented the frame_order.permute_axes user function. This is used to switch between local minima in the pseudo-elliptic frame order models.	2014-09-09 12:24:13	Tree
[r25712] by tlinnet Small improvement of the matplotlib plotting of data in the repeated analysis protocol. Task #7826 (https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.	2014-09-09 11:00:39	Tree
[r25711] by bugman Created the Frame_order.test_axis_permutation system test. This is to test the operation of the yet-to-be implemented frame_order.permute_axes user function.	2014-09-09 08:55:41	Tree
[r25710] by bugman Copied a frame order results file for testing axis permutations. The command used was: svn cp test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.bz2@r23644 test_suite/shared_data/frame_order/axis_permutations/cam_pseudo_ellipse.bz2 This is from the test_suite/shared_data/frame_order/cam/pseudo_ellipse/ directory. The optimisation results back at r23644 were identified to have failed, in that it found the alternative minimum. The pseudo-ellipse model as two minima in the space, and in this case the global minimum was missed.	2014-09-09 07:18:49	Tree
[r25709] by tlinnet Initial try to implement plotting in the repeated auto analysis protocol. Task #7826 (https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.	2014-09-08 20:23:07	Tree

[r25718] by tlinnet

For the class of repeated analysis, implemented method to collect peak intensity, and function to plot the correlation.

Task #7826 (https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.

2014-09-09 16:18:11

[r25717] by tlinnet

Fix for two-point calculatation of exponential curve with corrupted data.

The two-point calculatation calculation is now also skipped, if the measured intensity is 0.
This can happen for corrupted intensity files.

2014-09-09 13:07:37

Tree

[r25716] by tlinnet

Fix for calling correct folder with test intensities.

Task #7826 (https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.

2014-09-09 13:07:34

Tree

[r25715] by bugman

Extended the Frame_order.test_axis_permutation system test to check frame_order.permute_axes twice.

This will check that two calls to the frame_order.permute_axes user function will restore the
original parameter values.

2014-09-09 12:29:43

Tree

[r25714] by bugman

Fix for the Frame_order.test_axis_permutation system test.

The motional eigenframe in the old log file was not exactly correct and did not correspond exactly
to the Euler angles in the cam_pseudo_ellipse.bz2 results file in
test_suite/shared_data/frame_order/axis_permutations/.

2014-09-09 12:25:41

Tree

[r25713] by bugman

Implemented the frame_order.permute_axes user function.

This is used to switch between local minima in the pseudo-elliptic frame order models.

2014-09-09 12:24:13

Tree

[r25712] by tlinnet

Small improvement of the matplotlib plotting of data in the repeated analysis protocol.

Task #7826 (https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.

2014-09-09 11:00:39

Tree

[r25711] by bugman

Created the Frame_order.test_axis_permutation system test.

This is to test the operation of the yet-to-be implemented frame_order.permute_axes user function.

2014-09-09 08:55:41

Tree

[r25710] by bugman

Copied a frame order results file for testing axis permutations.

The command used was:
svn cp test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.bz2@r23644 test_suite/shared_data/frame_order/axis_permutations/cam_pseudo_ellipse.bz2

This is from the test_suite/shared_data/frame_order/cam/pseudo_ellipse/ directory. The optimisation
results back at r23644 were identified to have failed, in that it found the alternative minimum.
The pseudo-ellipse model as two minima in the space, and in this case the global minimum was missed.

2014-09-09 07:18:49

Tree

[r25709] by tlinnet

Initial try to implement plotting in the repeated auto analysis protocol.

Task #7826 (https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.

2014-09-08 20:23:07

Tree

relax SVN archive

Molecular dynamics by NMR data analysis

SVN archive Commit Log