Re: r23819 - /branches/disp_spin_speed/target_functions/relax_disp.py -- June 11, 2014

Hi Troels,

Could you remind me later (after branch merger) to expand the target
function docstring to include descriptions of {NE, NS, NM, NO, ND}?

Cheers,

Edward

On 11 June 2014 10:08,  <tlinnet@xxxxxxxxxxxxx> wrote:

Author: tlinnet
Date: Wed Jun 11 10:08:05 2014
New Revision: 23819

URL: http://svn.gna.org/viewcvs/relax?rev=23819&view=rev
Log:
Replaced self.(ei,si,mi,oi,di) with self.(NE,NS,NM,NO,ND).

These numbers represents the maximum number of dimensions, instead of index.

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

Modified:
    branches/disp_spin_speed/target_functions/relax_disp.py

Modified: branches/disp_spin_speed/target_functions/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/target_functions/relax_disp.py?rev=23819&r1=23818&r2=23819&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py     Wed Jun 11 
10:08:05 2014
@@ -409,11 +409,12 @@
             self.numpy_array_shape = back_calc_shape + 
[self.max_num_disp_points]

             # Set the dimensions to paramater.
-            self.ei = self.numpy_array_shape[0]
-            self.si = self.numpy_array_shape[1]
-            self.mi = self.numpy_array_shape[2]
-            self.oi = self.numpy_array_shape[3]
-            self.di = self.numpy_array_shape[4]
+            # The total numbers of experiments, number of spins, number of 
magnetic field strength, number of offsets, maximum number of dispersion 
point.
+            self.NE = self.numpy_array_shape[0]
+            self.NS = self.numpy_array_shape[1]
+            self.NM = self.numpy_array_shape[2]
+            self.NO = self.numpy_array_shape[3]
+            self.ND = self.numpy_array_shape[4]

             # Create zero and one numpy structure.
             zeros_a = zeros(self.numpy_array_shape, float64)
@@ -439,17 +440,17 @@
             self.dw_struct = deepcopy(zeros_a)

             # Temporary storage to avoid memory allocations and garbage 
collection.
-            self.dw_temp = zeros([self.si] + self.numpy_array_shape, 
float64)
+            self.dw_temp = zeros([self.NS] + self.numpy_array_shape, 
float64)

             # The structure for multiplication with dw to piecewise build 
up the full dw structure.
             self.dw_mask = deepcopy(self.dw_temp)

             # Loop over the experiment types.
-            for ei in range(self.num_exp):
+            for ei in range(self.NE):
                 # Loop over the spins.
-                for si in range(self.num_spins):
+                for si in range(self.NS):
                     # Loop over the spectrometer frequencies.
-                    for mi in range(self.num_frq):
+                    for mi in range(self.NM):
                         # Fill dw_mask with frequencies.
                         self.dw_mask[si, :, si, mi] = self.frqs[ei][si][mi]

@@ -558,7 +559,7 @@
         """

         # Loop over the dw elements (one per spin).
-        for si in range(self.si):
+        for si in range(self.NS):
             # First multiply the spin specific dw with the spin specific 
frequency mask, using temporary storage.
             multiply(dw[si], self.dw_mask[si], self.dw_temp[si])

@@ -566,13 +567,13 @@
             add(self.dw_struct, self.dw_temp[si], self.dw_struct)

         # Reshape dw to per experiment and nr spins.
-        dw_axis = asarray(dw).reshape(self.ei, self.si)
+        dw_axis = asarray(dw).reshape(self.NE, self.NS)

         # Expand dw to number of axis for frequency, offset and dispersion 
points.
         dw_axis = dw_axis[:,:,None,None,None]

         # Tile dw according to dimensions.
-        dw_axis = tile(dw_axis, (1, 1, self.mi, self.oi, self.di))
+        dw_axis = tile(dw_axis, (1, 1, self.NM, self.NO, self.ND))

         # Convert dw from ppm to rad/s.
         dw_frq_a = dw_axis*self.disp_struct*self.frqs_a
@@ -585,16 +586,16 @@
             #sys.exit()

         # Reshape R20A and R20B to per experiment, spin and frequency.
-        R20A_axis = R20A.reshape(self.ei, self.si, self.mi)
-        R20B_axis = R20B.reshape(self.ei, self.si, self.mi)
+        R20A_axis = R20A.reshape(self.NE, self.NS, self.NM)
+        R20B_axis = R20B.reshape(self.NE, self.NS, self.NM)

         # Expand R20A and R20B axis to offset and dispersion points.
         R20A_axis = R20A_axis[:,:,:,None,None]
         R20B_axis = R20B_axis[:,:,:,None,None]

         # Tile R20A and R20B according to maximum of dispersion points. 
Multiply with spin structure array.
-        R20A_axis = tile(R20A_axis, (1, 1, 1, self.oi, self.di)) * 
self.disp_struct
-        R20B_axis = tile(R20B_axis, (1, 1, 1, self.oi, self.di)) * 
self.disp_struct
+        R20A_axis = tile(R20A_axis, (1, 1, 1, self.NO, self.ND)) * 
self.disp_struct
+        R20B_axis = tile(R20B_axis, (1, 1, 1, self.NO, self.ND)) * 
self.disp_struct

         ## Back calculate the R2eff values.
         r2eff_CR72(r20a=R20A_axis, r20b=R20B_axis, pA=pA, dw=dw_frq_a, 
kex=kex, cpmg_frqs=self.cpmg_frqs_a, back_calc=self.back_calc_a, 
num_points=self.num_disp_points_a)


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Re: r23819 - /branches/disp_spin_speed/target_functions/relax_disp.py

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