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SVN archive Commit Log


Commit Date  
[r14967] by bugman

Clean up of a RelaxError print out.

2011-11-03 16:20:30 Tree
[r14966] by bugman

Fixes for all the renamed private methods in the internal structural object.

2011-11-03 10:30:19 Tree
[r14965] by bugman

Created the add_model() structural API method.

This is implemented within the internal structural object.

2011-11-03 10:17:43 Tree
[r14964] by bugman

Created the test data for the iso cone, free rotor frame order model.

2011-11-03 09:42:14 Tree
[r14963] by bugman

Shifted the add_molecule() method to the correct position.

2011-11-03 09:29:12 Tree
[r14962] by bugman

All private methods have been renamed by replacing '__*()' with '_*()'.

2011-11-03 09:28:09 Tree
[r14961] by bugman

Added MC sims to the Frame_order.test_cam_rotor system test.

This is just a quick check with 3 simulations to make sure the code is functional.

2011-11-02 16:41:51 Tree
[r14960] by bugman

Added Monte Carlo simulations to the second rotor frame order model testing script.

This is to check that the PyMOL representations are correct, as this cannot be done in a system
test.

2011-11-02 16:36:51 Tree
[r14959] by bugman

Monte Carlo simulations are now implemented for the frame order analysis.

2011-11-02 16:21:15 Tree
[r14958] by bugman

Eliminated one of the eigenframe parameters from the rotor frame order model.

In the rotor frame order model, the x and y axes of the eigenframe of the motion are not defined.
Therefore the 3 eigenframe Euler angles have been replaced by 2 spherical angles defining the
rotation axis. This removes a lot of optimisation issues with this model.

2011-11-02 15:30:48 Tree
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