mailr21343 - /branches/relax_disp/specific_analyses/relax_disp/optimisation.py


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Posted by edward on October 31, 2013 - 08:30:
Author: bugman
Date: Thu Oct 31 08:30:00 2013
New Revision: 21343

URL: http://svn.gna.org/viewcvs/relax?rev=21343&view=rev
Log:
The dispersion optimisation code now checks for the relaxation time period 
being set for certain models.

This is for the models which require the number of CPMG blocks, calculated 
via the relaxation time
and nu_CPMG.


Modified:
    branches/relax_disp/specific_analyses/relax_disp/optimisation.py

Modified: branches/relax_disp/specific_analyses/relax_disp/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/optimisation.py?rev=21343&r1=21342&r2=21343&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/optimisation.py 
(original)
+++ branches/relax_disp/specific_analyses/relax_disp/optimisation.py Thu Oct 
31 08:30:00 2013
@@ -37,7 +37,7 @@
 from multi import Memo, Result_command, Slave_command
 from specific_analyses.relax_disp.disp_data import loop_exp_frq_point, 
return_cpmg_frqs, return_index_from_disp_point, return_index_from_exp_type, 
return_index_from_frq, return_offset_data, return_param_key_from_data, 
return_r1_data, return_r2eff_arrays, return_spin_lock_nu1, 
return_value_from_frq_index
 from specific_analyses.relax_disp.parameters import assemble_param_vector, 
disassemble_param_vector, linear_constraints, loop_parameters, 
param_conversion, param_num
-from specific_analyses.relax_disp.variables import MODEL_CR72, 
MODEL_CR72_FULL, MODEL_DPL94, MODEL_LM63, MODEL_M61, MODEL_M61B, 
MODEL_MMQ_2SITE, MODEL_NS_R1RHO_2SITE, MODEL_TP02
+from specific_analyses.relax_disp.variables import MODEL_CR72, 
MODEL_CR72_FULL, MODEL_DPL94, MODEL_LIST_CPMG_NUM, MODEL_LM63, MODEL_M61, 
MODEL_M61B, MODEL_MMQ_2SITE, MODEL_NS_R1RHO_2SITE, MODEL_TP02
 from target_functions.relax_disp import Dispersion
 
 
@@ -313,6 +313,8 @@
         self.relax_times = None
         if hasattr(cdp, 'relax_time_list'):
             self.relax_times = cdp.relax_time_list[0]
+        if self.relax_times == None and model in MODEL_LIST_CPMG_NUM:
+            raise RelaxError("The spectrometer frequency information has not 
been specified.")
 
 
     def run(self, processor, completed):




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