Author: bugman
Date: Tue Jan 8 17:04:54 2008
New Revision: 4497
URL: http://svn.gna.org/viewcvs/relax?rev=4497&view=rev
Log:
Added the basic code for implementing optimisation of the N-state model.
The target function, the maths_fns code, doesn't yet exist though.
Modified:
branches/N_state_model/specific_fns/n_state_model.py
Modified: branches/N_state_model/specific_fns/n_state_model.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/specific_fns/n_state_model.py?rev=4497&r1=4496&r2=4497&view=diff
==============================================================================
--- branches/N_state_model/specific_fns/n_state_model.py (original)
+++ branches/N_state_model/specific_fns/n_state_model.py Tue Jan 8 17:04:54
2008
@@ -25,6 +25,7 @@
# relax module imports.
from data import Data as relax_data_store
+from maths_fns.n_state_model import setup, func
from specific_fns.base_class import Common_functions
@@ -95,6 +96,24 @@
@type sim_index: None or int
"""
+ # Set up the target function.
+ setup()
+
+ # Setup the minimisation algorithm when constraints are present.
+ if constraints and not match('^[Gg]rid', min_algor):
+ algor = min_options[0]
+ else:
+ algor = min_algor
+
+ # Minimisation.
+ if constraints:
+ results = generic_minimise(func=func, args=(),
x0=self.param_vector, min_algor=min_algor, min_options=min_options,
func_tol=func_tol, grad_tol=grad_tol, maxiter=max_iterations, A=A, b=b,
full_output=1, print_flag=print_flag)
+ else:
+ results = generic_minimise(func=func, args=(),
x0=self.param_vector, min_algor=min_algor, min_options=min_options,
func_tol=func_tol, grad_tol=grad_tol, maxiter=max_iterations, full_output=1,
print_flag=print_flag)
+ if results == None:
+ return
+ self.param_vector, self.func, self.iter_count, self.f_count,
self.g_count, self.h_count, self.warning = results
+
def return_data_name(self, name):
"""
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