Hi Troels,
I was wondering if you could replace:
self.R20A_a[0][si][mi][0][:num_disp_points] =
np.array( [R20A[r20_index]] * num_disp_points, float64)
with:
self.R20A_a[0][si][mi][0][:num_disp_points] = R20A[r20_index]
As self.R20A_a is already a numpy array, you can set a single value to
all parts of an array element. For example:
"""
from numpy import zeros
a = zeros((5, 4))
a[1] = 1
a[:,1] = 2
print(a)
"""
The result of running this is:
[[ 0. 2. 0. 0.]
[ 1. 2. 1. 1.]
[ 0. 2. 0. 0.]
[ 0. 2. 0. 0.]
[ 0. 2. 0. 0.]]
You can use such logic to avoid numpy.array() in the target functions,
as that is very undesirable.
Regards,
Edward
On 8 June 2014 22:22, <[email protected]> wrote:
> Author: tlinnet
> Date: Sun Jun 8 22:22:22 2014
> New Revision: 23740
>
> URL: http://svn.gna.org/viewcvs/relax?rev=23740&view=rev
> Log:
> Critical fix for the slicing of values in target function.
>
> This makes system test: Relax_disp.test_sod1wt_t25_to_cr72 pass.
>
> 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=23740&r1=23739&r2=23740&view=diff
> ==============================================================================
> --- branches/disp_spin_speed/target_functions/relax_disp.py (original)
> +++ branches/disp_spin_speed/target_functions/relax_disp.py Sun Jun 8
> 22:22:22 2014
> @@ -521,18 +521,18 @@
> r20_index = mi + si*self.num_frq
>
> # Store r20a and r20b values per disp point.
> - self.R20A_a[0][si][mi][0] = np.array( [R20A[r20_index]] *
> self.max_num_disp_points, float64)
> - self.R20B_a[0][si][mi][0] = np.array( [R20B[r20_index]] *
> self.max_num_disp_points, float64)
> + self.R20A_a[0][si][mi][0][:num_disp_points] = np.array(
> [R20A[r20_index]] * num_disp_points, float64)
> + self.R20B_a[0][si][mi][0][:num_disp_points] = np.array(
> [R20B[r20_index]] * num_disp_points, float64)
>
> # Convert dw from ppm to rad/s.
> dw_frq = dw[si] * self.frqs[0][si][mi]
>
> # Store dw_frq per disp point.
> - self.dw_frq_a[0][si][mi][0] = np.array( [dw_frq] *
> self.max_num_disp_points, float64)
> + self.dw_frq_a[0][si][mi][0][:num_disp_points] = np.array(
> [dw_frq] * num_disp_points, float64)
>
> # Store pA and kex per disp point.
> - self.pA_a[0][si][mi][0] = np.array( [pA] *
> self.max_num_disp_points, float64)
> - self.kex_a[0][si][mi][0] = np.array( [kex] *
> self.max_num_disp_points, float64)
> + self.pA_a[0][si][mi][0][:num_disp_points] = np.array( [pA] *
> num_disp_points, float64)
> + self.kex_a[0][si][mi][0][:num_disp_points] = np.array( [kex]
> * num_disp_points, float64)
>
> ## Back calculate the R2eff values.
> r2eff_CR72(r20a=self.R20A_a, r20b=self.R20B_a, pA=self.pA_a,
> dw=self.dw_frq_a, kex=self.kex_a, cpmg_frqs=self.cpmg_frqs_a,
> back_calc=self.back_calc_a, num_points=self.num_disp_points_a)
>
>
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