Re: r24110 - /branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_mp05.py -- June 18, 2014

Yes.

That is because, that I before pre-calculated the "values" with a function
call.
The function call is now removed.

So there is a big difference between values and back_calc.

If I remember, all values are set to 2.0, errors 1.0.
Best
Troels


2014-06-18 17:29 GMT+02:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:

Hi Troels,

You have a chi-squared printout in all of your profiling scripts, but
do you know why that value is so high in all scripts?

Regards,

Edward



On 18 June 2014 17:27,  <tlinnet@xxxxxxxxxxxxx> wrote:

Author: tlinnet
Date: Wed Jun 18 17:27:54 2014
New Revision: 24110

URL: http://svn.gna.org/viewcvs/relax?rev=24110&view=rev
Log:
Modified profiling script for MP05.

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_mp05.py


Modified:

branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_mp05.py

URL:

http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_mp05.py?rev=24110&r1=24109&r2=24110&view=diff

==============================================================================

---

branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_mp05.py
     (original)

+++

branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_mp05.py
     Wed Jun 18 17:27:54 2014

@@ -63,7 +63,7 @@
 def main():
     if True:
         # Nr of iterations.
-        nr_iter = 1000
+        nr_iter = 10

         # Print statistics.
         verbose = True
@@ -523,11 +523,11 @@
         """

         # Return chi2 value.
-        chi2 = self.model.func_DPL94(params)
+        chi2 = self.model.func_MP05(params)
         return chi2


-def single(num_spins=1, model=MODEL_DPL94, iter=None):
+def single(num_spins=1, model=MODEL_MP05, iter=None):
     """Calculate for a single spin.

     @keyword num_spins:     Number of spins in the cluster.
@@ -541,7 +541,7 @@
     """

     # Instantiate class
-    C1 = Profile(num_spins=num_spins, model=model, r2=5.0, phi_ex=1.0,

kex=5000.0, spins_params=['r2', 'phi_ex', 'kex'])

+    C1 = Profile(num_spins=num_spins, model=model, r2=5.0, dw=1.0,

pA=0.9, kex=5000.0, 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):
@@ -551,7 +551,7 @@
     print("chi2 single:", chi2)


-def cluster(num_spins=100, model=MODEL_DPL94, iter=None):
+def cluster(num_spins=100, model=MODEL_MP05, iter=None):
     """Calculate for a number of clustered spins.

     @keyword num_spins:     Number of spins in the cluster.
@@ -565,7 +565,7 @@
     """

     # Instantiate class
-    C1 = Profile(num_spins=num_spins, model=model, r2=5.0, phi_ex=1.0,

kex=5000.0, spins_params=['r2', 'phi_ex', 'kex'])

+    C1 = Profile(num_spins=num_spins, model=model, r2=5.0, dw=1.0,

pA=0.9, kex=5000.0, spins_params=['r2', 'dw', 'pA', 'kex'])


     # Repeat the function call, to simulate minimisation.
     for i in xrange(iter):


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Re: r24110 - /branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_mp05.py

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