r24131 - /branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_cr72_full.py -- June 18, 2014 - 19:25

Author: tlinnet
Date: Wed Jun 18 19:25:29 2014
New Revision: 24131

URL: http://svn.gna.org/viewcvs/relax?rev=24131&view=rev
Log:
Removal of junk for profiling script CR72 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_cr72_full.py

Modified: 
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_cr72_full.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_cr72_full.py?rev=24131&r1=24130&r2=24131&view=diff
==============================================================================
--- 
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_cr72_full.py
 (original)
+++ 
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_cr72_full.py
 Wed Jun 18 19:25:29 2014
@@ -183,24 +183,6 @@
         @return:    The numpy array structures of the R2eff/R1rho values, 
errors, missing data, and corresponding Larmor frequencies.  For each 
structure, the first dimension corresponds to the experiment types, the 
second the spins of a spin block, the third to the spectrometer field 
strength, and the fourth is the dispersion points.  For the Larmor frequency 
structure, the fourth dimension is omitted.  For R1rho-type data, an offset 
dimension is inserted between the spectrometer field strength and the 
dispersion points.
         @rtype:         lists of numpy float arrays, lists of numpy float 
arrays, lists of numpy float arrays, numpy rank-2 int array
         """
-
-        # Unpack the parameter values.
-        # Initialise the post spin parameter indices.
-        end_index = []
-        # The spin and frequency dependent R2 parameters.
-        end_index.append(len(self.exp_type) * self.num_spins * 
len(self.fields))
-        if self.model in [MODEL_B14_FULL, MODEL_CR72_FULL, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR_FULL]:
-            end_index.append(2 * len(self.exp_type) * self.num_spins * 
len(self.fields))
-        # The spin and dependent parameters (phi_ex, dw, padw2).
-        end_index.append(end_index[-1] + self.num_spins)
-
-        # Unpack the parameter values.
-        R20 = self.params[:end_index[1]].reshape(self.num_spins*2, 
len(self.fields))
-        R20A = R20[::2].flatten()
-        R20B = R20[1::2].flatten()
-        dw = self.params[end_index[1]:end_index[2]]
-        pA = self.params[end_index[2]]
-        kex = self.params[end_index[2]+1]
 
         # Initialise the data structures for the target function.
         exp_types = []
@@ -272,13 +254,6 @@
                     # Get the cpmg frq.
                     cpmg_frqs[ei][mi][oi] = self.points[mi]
 
-                    # Calculate how the value should be, so chi2 gets zero.
-                    # The R20 index.
-                    r20_index = mi + si*len(self.fields)
-                    # Convert dw from ppm to rad/s.
-                    dw_frq = dw[si] * frqs[ei][si][mi]
-                    r20a=R20A[r20_index]
-                    r20b=R20B[r20_index]
                     back_calc = array([0.0]*len(cpmg_frqs[ei][mi][oi]))
 
                     for oi in range(len(self.offset)):
@@ -476,39 +451,4 @@
 
 # Execute main function.
 if __name__ == "__main__":
-    main()
-
-def test_reshape():
-    C1 = Profile(num_spins=1, model=MODEL_CR72_FULL, r2a=5.0, r2b=10.0, 
dw=3.0, pA=0.9, kex=1000.0, spins_params=['r2a', 'r2b', 'dw', 'pA', 'kex'])
-    end_index = C1.model.end_index
-    #print("end_index:", end_index)
-    num_spins = C1.model.num_spins
-    #print("num_spins:", num_spins)
-    num_frq = C1.model.num_frq
-    #print("num_frq:", num_frq)
-    params = C1.params
-    #print("params", params)
-
-    R20 = params[:end_index[1]].reshape(num_spins*2, num_frq)
-    R20A = R20[::2].flatten()
-    R20B = R20[1::2].flatten()
-    dw = params[end_index[1]:end_index[2]]
-    pA = params[end_index[2]]
-    kex = params[end_index[2]+1]
-    print("R20A", R20A, len(R20A))
-    print("R20B", R20B, len(R20B))
-    print("dw", dw, len(dw))
-    print("dw", pA)
-    print("kex", kex)
-
-    for si in range(num_spins):
-        for mi in range(num_frq):
-            r20_index = mi + si*num_frq
-            r20a=R20A[r20_index]
-            r20b=R20B[r20_index]
-            print("r20a", r20a, "r20b", r20b)
-
-    model = C1.calc(params)
-    print(model)
-
-#test_reshape()
+    main()