Author: bugman
Date: Thu Oct 16 17:37:30 2008
New Revision: 7768
URL: http://svn.gna.org/viewcvs/relax?rev=7768&view=rev
Log:
Formatting clean ups and a bug fix for the 'self.param_types' variable now
named 'model_type'.
Modified:
branches/multi_processor_merge/specific_fns/model_free/mf_minimise.py
Modified:
branches/multi_processor_merge/specific_fns/model_free/mf_minimise.py
URL:
http://svn.gna.org/viewcvs/relax/branches/multi_processor_merge/specific_fns/model_free/mf_minimise.py?rev=7768&r1=7767&r2=7768&view=diff
==============================================================================
--- branches/multi_processor_merge/specific_fns/model_free/mf_minimise.py
(original)
+++ branches/multi_processor_merge/specific_fns/model_free/mf_minimise.py Thu
Oct 16 17:37:30 2008
@@ -978,18 +978,16 @@
# Minimisation.
###############
#FIXME??? strange contraints
- if match('^[Gg]rid', min_algor) and self.param_set == 'diff' :
+ if match('^[Gg]rid', min_algor) and model_type == 'diff' :
processors = self.relax.processor.processor_size()
full_grid_info = Grid_info(min_options)
sub_grid_list =
full_grid_info.sub_divide(self.relax.processor.processor_size())
if constraints:
- super_grid_memo =
MF_super_grid_memo(model_free=self,index=index,sim_index=sim_index,run=self.run,param_set=self.param_set,
-
scaling=scaling,scaling_matrix=self.scaling_matrix,full_output=1,
print_flag=print_flag, print_prefix="", grid_size=self.grid_size, A=A,b=b)
+ super_grid_memo = MF_super_grid_memo(model_free=self,
index=index, sim_index=sim_index, model_type=model_type, scaling=scaling,
scaling_matrix=self.scaling_matrix, full_output=1, print_flag=print_flag,
print_prefix="", grid_size=self.grid_size, A=A, b=b)
else:
- super_grid_memo =
MF_super_grid_memo(model_free=self,index=index,sim_index=sim_index,run=self.run,param_set=self.param_set,
-
scaling=scaling,scaling_matrix=self.scaling_matrix,full_output=1,
print_flag=print_flag, print_prefix="", grid_size=self.grid_size, )
-
- for sub_grid_index,sub_grid_info in enumerate(sub_grid_list):
+ super_grid_memo = MF_super_grid_memo(model_free=self,
index=index, sim_index=sim_index, model_type=model_type, scaling=scaling,
scaling_matrix=self.scaling_matrix, full_output=1, print_flag=print_flag,
print_prefix="", grid_size=self.grid_size, )
+
+ for sub_grid_index, sub_grid_info in
enumerate(sub_grid_list):
command=MF_grid_command()
command.set_mf(init_params=param_vector,
model_type=model_type, diff_type=diff_type, diff_params=diff_params,
scaling_matrix=scaling_matrix, num_spins=num_spins, equations=equations,
param_types=param_types, param_values=param_values, relax_data=relax_data,
errors=relax_error, bond_length=r, csa=csa, num_frq=num_frq, frq=frq,
num_ri=num_ri, remap_table=remap_table, noe_r1_table=noe_r1_table,
ri_labels=ri_labels, gx=gx, gh=gh, h_bar=h_bar, mu0=mu0,
num_params=num_params, vectors=xh_unit_vectors)
if constraints:
@@ -999,7 +997,7 @@
memo = MF_grid_memo(super_grid_memo)
- self.relax.processor.add_to_queue(command,memo)
+ self.relax.processor.add_to_queue(command, memo)
else:
command=MF_minimise_command()
@@ -1014,35 +1012,35 @@
else:
command.set_minimise(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=verbosity)
- memo =
MF_memo(model_free=self,index=index,sim_index=sim_index,run=self.run,param_set=self.param_set,scaling=scaling,
scaling_matrix=scaling_matrix)
-
- self.relax.processor.add_to_queue(command,memo)
+ memo = MF_memo(model_free=self, index=index,
sim_index=sim_index, run=self.run, model_type=model_type, scaling=scaling,
scaling_matrix=scaling_matrix)
+
+ self.relax.processor.add_to_queue(command, memo)
#print self.relax.processor.command_queue
#raise Exception('test')
#self.relax.processor.run_queue()
- def disassemble_result(self, param_vector, func, iter, fc, gc, hc,
warning, spin, sim_index, param_set, scaling, scaling_matrix):
+ def disassemble_result(self, param_vector, func, iter, fc, gc, hc,
warning, spin, sim_index, model_type, scaling, scaling_matrix):
"""Disassemble the optimisation results."""
- #print
'***',param_vector,func,iter,fc,gc,hc,warning,run,index,sim_index,
param_set,scaling
+ #print '***', param_vector, func, iter, fc, gc, hc, warning,
spin, sim_index, model_type, scaling
#self.write_columnar_line(file=sys.stdout)
#self.param_vector=param_vector
# print 'disassembel result'
-# print 'param_vector',param_vector
-# print 'func',func
-# print 'iter',iter
-# print 'fc',fc
-# print 'gc',gc
-# print 'hc',hc
-# print 'warning',warning
-# print 'run',run
-# print 'index',index
-# print 'sim_index',sim_index
-# print ' param_set ',param_set
-# print 'scaling',scaling
-# print 'scaling_matrix',scaling_matrix
+# print 'param_vector', param_vector
+# print 'func', func
+# print 'iter', iter
+# print 'fc', fc
+# print 'gc', gc
+# print 'hc', hc
+# print 'warning', warning
+# print 'run', run
+# print 'index', index
+# print 'sim_index', sim_index
+# print ' model_type ', model_type
+# print 'scaling', scaling
+# print 'scaling_matrix', scaling_matrix
#FIXME this is a fix for old code
# self.iter_count = iter
# self.f_count = fc
r7768 - /branches/multi_processor_merge/specific_fns/model_free/mf_minimise.py