relax SVN archive

Renaming of all the frame order target functions and PCS integration functions.

For consistency, all quasi-random Sobol' integration functions now use the 'qr_int' tag whereas the
SciPy quadratic integration functions use the 'quad_int' tag. This is not only in the target
function names but also the PCS integration functions in lib.frame_order.

Clean up for the frame order target function aliasing.

The Scipy quadratic integration and the quasi-random Sobol' integration target functions are now
aliased using the getattr() Python method to programmatically choose one or the other. The rigid
model has been removed from the list as it is not a numeric model, and the func_double_rotor()
target function has been renamed to func_double_rotor_qrint() to make it consistent with the naming
of the other target functions.

The RDC only optimisation now defaults to the *_qrint() frame order target functions.

This restores the earlier behaviour prior to the restoration of the SciPy quadratic integration.

Fix for r25994 - the cdp.quad_int flag was not passed into the target function properly.

Fixes for the missing cdp.quad_int flag.

If the cdp.quad_int flag is missing, this is now set to False before setting up the target function
class. The previous behaviour was that the frame_order.quad_int user function must be called prior
to optimisation. Now it is optional for turning this flag on and off.

The cdp.quad_int flag is now passed into the target function for the frame order calculate() method.

This is for the minimise.calculate user function backend.

The quad_int argument for the frame order target function class now defaults to False.

This is so that quasi-random Sobol' numerical integration will be used by default.

Removed the call to the frame_order.quad_int user function in the auto-analysis.

This was the result of a bad restoring merger of an old commit.

Fixes for the recent commit restorations for the SciPy quadratic integration.

The cdp.quad_int flag is now passed into the specific_analyses.frame_order.optimisation
multiprocessor command objects which then pass it into the target function.

Reverted r23309, the deletion of the frame_order.quad_int user function and the rest of the backend.

The command used was:
svn merge -r23309:23308 .

This is part of restoring the SciPy quadratic integration in the frame order target functions.
Although incredibly slow, this will be useful for refining the final results, especially for models
whereby the number of Sobol' points collapses to zero.

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r23309 | bugman | 2014-05-21 17:06:17 +0200 (Wed, 21 May 2014) | 4 lines
Changed paths:
M /branches/frame_order_cleanup/auto_analyses/frame_order.py
M /branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py
M /branches/frame_order_cleanup/specific_analyses/frame_order/uf.py
M /branches/frame_order_cleanup/target_functions/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/multi_processor_test.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/pcs_only/frame_order.py
M /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py
M /branches/frame_order_cleanup/user_functions/frame_order.py

Deletion of the frame_order.quad_int user function.

This no longer has a purpose, as the incredibly slow quadratic integration code has been removed
from relax.
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