mailr24277 - /branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_mmq_2site.py


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Posted by tlinnet on June 24, 2014 - 14:32:
Author: tlinnet
Date: Tue Jun 24 14:32:23 2014
New Revision: 24277

URL: http://svn.gna.org/viewcvs/relax?rev=24277&view=rev
Log:
Implemented profiling script for NS MMQ 2SITE.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion 
models for Clustered analysis.

Modified:
    
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_mmq_2site.py

Modified: 
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_mmq_2site.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_mmq_2site.py?rev=24277&r1=24276&r2=24277&view=diff
==============================================================================
--- 
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_mmq_2site.py
      (original)
+++ 
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_mmq_2site.py
      Tue Jun 24 14:32:23 2014
@@ -53,14 +53,14 @@
 # relax module imports.
 from lib.physical_constants import g1H, g15N
 from target_functions.relax_disp import Dispersion
-from specific_analyses.relax_disp.variables import MODEL_MMQ_CR72, 
EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_PROTON_SQ, EXP_TYPE_CPMG_DQ, 
EXP_TYPE_CPMG_ZQ, EXP_TYPE_CPMG_MQ, EXP_TYPE_CPMG_PROTON_MQ
+from specific_analyses.relax_disp.variables import MODEL_NS_MMQ_2SITE, 
EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_PROTON_SQ, EXP_TYPE_CPMG_DQ, 
EXP_TYPE_CPMG_ZQ, EXP_TYPE_CPMG_MQ, EXP_TYPE_CPMG_PROTON_MQ
 
 
 # Alter setup.
 def main():
     if True:
         # Nr of iterations.
-        nr_iter = 100
+        nr_iter = 10
 
         # Print statistics.
         verbose = True
@@ -439,11 +439,11 @@
         """
 
         # Return chi2 value.
-        chi2 = self.model.func_mmq_CR72(params)
+        chi2 = self.model.func_ns_mmq_2site(params)
         return chi2
 
 
-def single(num_spins=1, model=MODEL_MMQ_CR72, iter=None):
+def single(num_spins=1, model=MODEL_NS_MMQ_2SITE, iter=None):
     """Calculate for a single spin.
 
     @keyword num_spins:     Number of spins in the cluster.
@@ -467,7 +467,7 @@
     print("chi2 single:", chi2)
 
 
-def cluster(num_spins=100, model=MODEL_MMQ_CR72, iter=None):
+def cluster(num_spins=100, model=MODEL_NS_MMQ_2SITE, iter=None):
     """Calculate for a number of clustered spins.
 
     @keyword num_spins:     Number of spins in the cluster.




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