Hi Troels,
If you construct the dw_mask structure here, you will need to include
the ei index, replacing:
self.dw_mask[si, :, si, mi] = self.frqs[ei][si][mi]
with:
self.dw_mask[si, ei, si, mi] = self.frqs[ei][si][mi]
It also seems strange to use a list for the numpy.zeros() function,
but it seems to work anyway. For safety though, in case older or
future versions do not support a list argument, maybe you could use
the Python tuple() function to convert to the correct argument form.
One last suggestion, as I made in my second code example at
http://thread.gmane.org/gmane.science.nmr.relax.devel/6135/focus=6157,
is that self.dw_temp can be created instead as:
self.dw_temp = zeros(self.numpy_array_shape, float64)
Then it doesn't use the [si] index in the target function. This makes
this temporary storage smaller.
Cheers,
Edward
On 11 June 2014 08:28, <tlinnet@xxxxxxxxxxxxx> wrote:
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.
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Re: r23813 - /branches/disp_spin_speed/target_functions/relax_disp.py