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SVN archive Commit Log


Commit Date  
[r14887] by bugman

Started to create some data for testing the frame order theory.

This will be used to generate synthetic data for all 9 models currently in relax.

2011-10-23 17:03:51 Tree
[r14886] by bugman

Created the back end for the structure.rotate user function.

2011-10-23 16:58:00 Tree
[r14885] by bugman

Created the front end for the new structure.rotate user function.

The purpose of this user function is to apply arbitrary rotations to the structures loaded into
relax about a given origin.

2011-10-23 16:56:36 Tree
[r14884] by bugman

Added a few new argument checks for arrays and matrices of floats.

These are:
is_float_array()
is_float_matrix()

2011-10-23 16:55:01 Tree
[r14883] by bugman

Added a few new RelaxError classes.

These include:
RelaxNoneListFloatError
RelaxMatrixFloatError
RelaxNoneMatrixFloatError

The BaseArgError class was also modified to handle the length arg (now the size arg) being a tuple
for matrix sizes.

2011-10-23 16:51:42 Tree
[r14882] by bugman

Fix for the frame_order.cone_pdb user function.

The create_cone_pdb was referencing a non-existent variable!

2011-10-21 09:12:39 Tree
[r14881] by bugman

Fix for the set up of Monte Carlo data for fixed alignment tensors in the N-state model.

The _minimise_setup_fixed_tensors() method has been fixed to return the actual tensor rather than
simulation for the fixed tensors, as there is no simulation tensor in that case.

2011-10-18 13:46:27 Tree
[r14880] by bugman

The N-state model Monte Carlo simulations can now handle fixed alignment tensors.

2011-10-18 09:09:31 Tree
[r14879] by bugman

Created the alignment tensor module return_tensor() function for returning tensors.

This takes fixed tensors into account, skipping them if the skip_fixed flag is set.

2011-10-18 08:47:58 Tree
[r14878] by bugman

Created the alignment tensor module num_tensors() method for counting tensors.

This excludes fixed tensors by default.

2011-10-18 08:39:11 Tree
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