r24135 - /branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/ -- June 18, 2014 - 19:36

Author: tlinnet
Date: Wed Jun 18 19:36:48 2014
New Revision: 24135

URL: http://svn.gna.org/viewcvs/relax?rev=24135&view=rev
Log:
Implemented profiling script for NS CPMG STAR and STAR FULL.

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_cpmg_2site_star.py
    
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_cpmg_2site_star_full.py

Modified: 
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_cpmg_2site_star.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_cpmg_2site_star.py?rev=24135&r1=24134&r2=24135&view=diff
==============================================================================
--- 
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_cpmg_2site_star.py
        (original)
+++ 
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_cpmg_2site_star.py
        Wed Jun 18 19:36:48 2014
@@ -55,7 +55,7 @@
 from lib.physical_constants import g1H, g15N
 from target_functions.chi2 import chi2
 from target_functions.relax_disp import Dispersion
-from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_SQ, 
MODEL_B14_FULL, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, 
MODEL_NS_CPMG_2SITE_STAR_FULL
+from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_SQ, 
MODEL_B14_FULL, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, 
MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL
 
 
 # Alter setup.
@@ -400,11 +400,11 @@
         """
 
         # Return chi2 value.
-        chi2 = self.model.func_ns_cpmg_2site_3D_full(params)
+        chi2 = self.model.func_ns_cpmg_2site_star(params)
         return chi2
 
 
-def single(num_spins=1, model=MODEL_NS_CPMG_2SITE_3D_FULL, iter=None):
+def single(num_spins=1, model=MODEL_NS_CPMG_2SITE_STAR, iter=None):
     """Calculate for a single spin.
 
     @keyword num_spins:     Number of spins in the cluster.
@@ -418,7 +418,7 @@
     """
 
     # Instantiate class
-    C1 = Profile(num_spins=num_spins, model=model, r2a=5.0, r2b=10.0, 
dw=3.0, pA=0.9, kex=1000.0, spins_params=['r2a', 'r2b', 'dw', 'pA', 'kex'])
+    C1 = Profile(num_spins=num_spins, model=model, r2=5.0, dw=3.0, pA=0.9, 
kex=1000.0, spins_params=['r2', 'dw', 'pA', 'kex'])
 
     # Loop 100 times for each spin in the clustered analysis (to make the 
timing numbers equivalent).
     for spin_index in xrange(100):
@@ -428,7 +428,7 @@
     print("chi2 single:", chi2)
 
 
-def cluster(num_spins=100, model=MODEL_NS_CPMG_2SITE_3D_FULL, iter=None):
+def cluster(num_spins=100, model=MODEL_NS_CPMG_2SITE_STAR, iter=None):
     """Calculate for a number of clustered spins.
 
     @keyword num_spins:     Number of spins in the cluster.
@@ -442,7 +442,7 @@
     """
 
     # Instantiate class
-    C1 = Profile(num_spins=num_spins, model=model, r2a=5.0, r2b=10.0, 
dw=3.0, pA=0.9, kex=1000.0, spins_params=['r2a', 'r2b', 'dw', 'pA', 'kex'])
+    C1 = Profile(num_spins=num_spins, model=model, r2=5.0, dw=3.0, pA=0.9, 
kex=1000.0, spins_params=['r2', 'dw', 'pA', 'kex'])
 
     # Repeat the function call, to simulate minimisation.
     for i in xrange(iter):

Modified: 
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_cpmg_2site_star_full.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_cpmg_2site_star_full.py?rev=24135&r1=24134&r2=24135&view=diff
==============================================================================
--- 
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_cpmg_2site_star_full.py
   (original)
+++ 
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_cpmg_2site_star_full.py
   Wed Jun 18 19:36:48 2014
@@ -400,11 +400,11 @@
         """
 
         # Return chi2 value.
-        chi2 = self.model.func_ns_cpmg_2site_3D_full(params)
+        chi2 = self.model.func_ns_cpmg_2site_star_full(params)
         return chi2
 
 
-def single(num_spins=1, model=MODEL_NS_CPMG_2SITE_3D_FULL, iter=None):
+def single(num_spins=1, model=MODEL_NS_CPMG_2SITE_STAR_FULL, iter=None):
     """Calculate for a single spin.
 
     @keyword num_spins:     Number of spins in the cluster.
@@ -428,7 +428,7 @@
     print("chi2 single:", chi2)
 
 
-def cluster(num_spins=100, model=MODEL_NS_CPMG_2SITE_3D_FULL, iter=None):
+def cluster(num_spins=100, model=MODEL_NS_CPMG_2SITE_STAR_FULL, iter=None):
     """Calculate for a number of clustered spins.
 
     @keyword num_spins:     Number of spins in the cluster.