Commit | Date | |
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[r23982]
by
bugman
The rigid frame order matrix for the pseudo-ellipse models is now correctly handled. This allows the rigid case RDCs to be correctly calculated for both the pseudo-ellipse and |
2014-06-16 16:10:07 | Tree |
2014-06-16 15:53:11 | Tree | |
[r23980]
by
bugman
Updates for the chi-squared value in all the Frame_order.test_rigid_data_to_*_model system tests. This is now much reduced as the true rigid state is now being tested for. |
2014-06-16 15:40:42 | Tree |
[r23979]
by
bugman
Fixes for all PCS numeric integration for all frame order models in the rigid case. The exact PCS values for the rigid state are now correctly calculated when no Sobol' points lie |
2014-06-16 15:39:25 | Tree |
[r23978]
by
bugman
Fix for the frame order matrix calculation for a pseudo-elliptic cone with angles of zero degrees. The lib.frame_order.pseudo_ellipse_torsionless.compile_2nd_matrix_pseudo_ellipse_torsionless() |
2014-06-16 15:30:30 | Tree |
[r23977]
by
bugman
Modified the rigid_test.py system test script to really be the rigid case. This is used in all of the Frame_order.test_rigid_data_to_*_model system tests. Previously the |
2014-06-16 15:08:10 | Tree |
[r23976]
by
bugman
Added a timeit script and log file for different ways of checking a binary numpy array. |
2014-06-16 14:03:55 | Tree |
[r23975]
by
bugman
The frame_order.pdb_model user function no longer tries to create a cone object for the double rotor. |
2014-06-16 10:05:39 | Tree |
[r23974]
by
bugman
Updated the double rotor frame order model to be in a pseudo-functional state. Bugs in the target function method have been removed, the calc_vectors() target function now accepts |
2014-06-16 09:49:10 | Tree |
[r23973]
by
bugman
The frame order target function calc_vectors() method arguments have all been converted to keywords. This is in preparation for handling a second pivot argument for the double rotor model. |
2014-06-16 09:40:37 | Tree |