Author: bugman
Date: Wed Sep 24 10:14:53 2014
New Revision: 25993
URL: http://svn.gna.org/viewcvs/relax?rev=25993&view=rev
Log:
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.
Modified:
branches/frame_order_cleanup/target_functions/frame_order.py
Modified: branches/frame_order_cleanup/target_functions/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/target_functions/frame_order.py?rev=25993&r1=25992&r2=25993&view=diff
==============================================================================
--- branches/frame_order_cleanup/target_functions/frame_order.py
(original)
+++ branches/frame_order_cleanup/target_functions/frame_order.py Wed Sep
24 10:14:53 2014
@@ -58,7 +58,7 @@
class Frame_order:
"""Class containing the target function of the optimisation of Frame Order
matrix components."""
- def __init__(self, model=None, init_params=None, full_tensors=None,
full_in_ref_frame=None, rdcs=None, rdc_errors=None, rdc_weights=None,
rdc_vect=None, dip_const=None, pcs=None, pcs_errors=None, pcs_weights=None,
atomic_pos=None, temp=None, frq=None, paramag_centre=zeros(3),
scaling_matrix=None, sobol_max_points=200, sobol_oversample=100, com=None,
ave_pos_pivot=zeros(3), pivot=None, pivot_opt=False, quad_int=True):
+ def __init__(self, model=None, init_params=None, full_tensors=None,
full_in_ref_frame=None, rdcs=None, rdc_errors=None, rdc_weights=None,
rdc_vect=None, dip_const=None, pcs=None, pcs_errors=None, pcs_weights=None,
atomic_pos=None, temp=None, frq=None, paramag_centre=zeros(3),
scaling_matrix=None, sobol_max_points=200, sobol_oversample=100, com=None,
ave_pos_pivot=zeros(3), pivot=None, pivot_opt=False, quad_int=False):
"""Set up the target functions for the Frame Order theories.
@keyword model: The name of the Frame Order model.
_______________________________________________
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