Author: bugman
Date: Fri Oct 2 20:09:41 2015
New Revision: 27976
URL: http://svn.gna.org/viewcvs/relax?rev=27976&view=rev
Log:
Updated some unused frame order scripts to use the new minimise user function
design.
Modified:
trunk/test_suite/shared_data/frame_order/cam/rigid/rotor_analysis/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/tensor_fit.py
Modified:
trunk/test_suite/shared_data/frame_order/cam/rigid/rotor_analysis/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rigid/rotor_analysis/frame_order.py?rev=27976&r1=27975&r2=27976&view=diff
==============================================================================
---
trunk/test_suite/shared_data/frame_order/cam/rigid/rotor_analysis/frame_order.py
(original)
+++
trunk/test_suite/shared_data/frame_order/cam/rigid/rotor_analysis/frame_order.py
Fri Oct 2 20:09:41 2015
@@ -99,8 +99,8 @@
state.save('frame_order_true', force=True)
# Optimise.
-#grid_search(inc=3)
-minimise('simplex')
+#minimise.grid_search(inc=3)
+minimise.execute('simplex')
# Store the result.
frame_order.pdb_model(ave_pos='ave_pos_fixed_piv',
rep='frame_order_fixed_piv', dist=None, compress_type=2, force=True)
@@ -110,13 +110,13 @@
# Optimise the pivot and model.
frame_order.pivot(pivot, fix=False)
-minimise('simplex')
+minimise.execute('simplex')
# Test Monte Carlo simulations.
monte_carlo.setup(number=5)
monte_carlo.create_data()
monte_carlo.initial_values()
-minimise('simplex')
+minimise.execute('simplex')
eliminate()
monte_carlo.error_analysis()
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/tensor_fit.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/tensor_fit.py?rev=27976&r1=27975&r2=27976&view=diff
==============================================================================
---
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/tensor_fit.py
(original)
+++
trunk/test_suite/shared_data/frame_order/cam/rotor_small_angle/tensor_fit.py
Fri Oct 2 20:09:41 2015
@@ -31,14 +31,14 @@
n_state_model.select_model(model='fixed')
# Minimisation.
- grid_search(inc=5)
- minimise('newton', constraints=True)
+ minimise.grid_search(inc=5)
+ minimise.execute('newton', constraints=True)
# Monte Carlo simulations.
monte_carlo.setup(number=1000)
monte_carlo.create_data()
monte_carlo.initial_values()
- minimise('newton', constraints=False)
+ minimise.execute('newton', constraints=False)
monte_carlo.error_analysis()
# Alias the tensor.
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