r23813 - /branches/disp_spin_speed/target_functions/relax_disp.py -- June 11, 2014 - 08:28

Author: tlinnet
Date: Wed Jun 11 08:28:25 2014
New Revision: 23813

URL: http://svn.gna.org/viewcvs/relax?rev=23813&view=rev
Log:
Made iinitialisation structures for dw.

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=23813&r1=23812&r2=23813&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py     Wed Jun 11 
08:28:25 2014
@@ -408,6 +408,13 @@
             # Define the shape of all the numpy arrays.
             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]
+
             # Create zero and one numpy structure.
             zeros_a = zeros(self.numpy_array_shape, float64)
             ones_a = ones(self.numpy_array_shape, float64)
@@ -427,12 +434,25 @@
             self.disp_struct = deepcopy(zeros_a)
             self.has_missing = False
 
+            # Create special numpy structures.
+            # Structure of dw.
+            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)
+
+            # 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):
                 # Loop over the spins.
                 for si in range(self.num_spins):
                     # Loop over the spectrometer frequencies.
                     for mi in range(self.num_frq):
+                        # Fill dw_mask with frequencies.
+                        self.dw_mask[si, :, si, mi] = self.frqs[ei][si][mi]
+
                         # Loop over the offsets.
                         for oi in range(self.num_offsets[ei][si][mi]):
                             # Extract number of dispersion points.