Commit | Date | |
---|---|---|
[r24487]
by
bugman
Shifted the calculation of the theta_max cone opening for the pseudo-ellipse outside of all loops. This is infrastructure change for potentially eliminating all of the looping for the PCS numeric |
2014-07-09 09:39:08 | Tree |
[r24486]
by
bugman
Added a timeit script and log file showing how numpy.cos() is 10 times slower than math.cos(). This is for single floats. |
2014-07-09 08:59:03 | Tree |
[r24485]
by
bugman
Added a script for profiling the target function calls of the pseudo-ellipse frame order model. |
2014-07-09 08:40:09 | Tree |
[r24484]
by
bugman
Added the full optimisation results for the double rotor test data. This is for the CaM frame order test data using the new frame_order.py optimisation script. |
2014-07-09 08:05:34 | Tree |
[r24483]
by
bugman
Created the new specific_analyses.frame_order.variables module. This currently contains variables for all of the frame order model names, as well as various lists |
2014-07-09 08:03:17 | Tree |
[r24482]
by
bugman
Numpy <= 1.6 fixes for the frame order PCS code. The numpy.linalg.norm function does not have an axis argument in numpy 1.6, therefore the |
2014-07-08 15:07:24 | Tree |
[r24481]
by
bugman
Added the full optimisation results for the rigid frame order model. This is for the CaM test data using the new frame_order.py optimisation script. |
2014-07-08 13:57:43 | Tree |
[r24480]
by
bugman
Speed up of the PCS component of the rigid frame order model. The lanthanide to atom vectors are now being calculated outside of the alignment tensor and spin |
2014-07-08 12:21:23 | Tree |
[r24479]
by
bugman
Changed the grid search pivot displacement frame order parameter. Instead of searching from 0 to 50 Angstroms, the search is now from 10 to 50. This is to avoid the |
2014-07-08 10:17:48 | Tree |
[r24478]
by
bugman
Added model support for the rotor geometric object. This is the structural object used in the frame order analysis to create PDB representations of |
2014-07-08 10:08:28 | Tree |