Author: tlinnet
Date: Fri Jun 20 15:48:33 2014
New Revision: 24206
URL: http://svn.gna.org/viewcvs/relax?rev=24206&view=rev
Log:
Code cleanup and copyright adding to lib/dispersion/ns_matrices.py.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion
models for Clustered analysis.
Modified:
branches/disp_spin_speed/lib/dispersion/ns_matrices.py
Modified: branches/disp_spin_speed/lib/dispersion/ns_matrices.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_matrices.py?rev=24206&r1=24205&r2=24206&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/ns_matrices.py (original)
+++ branches/disp_spin_speed/lib/dispersion/ns_matrices.py Fri Jun 20
15:48:33 2014
@@ -5,6 +5,7 @@
# Copyright (C) 2013 Mathilde Lescanne
#
# Copyright (C) 2013 Dominique Marion
#
# Copyright (C) 2013 Edward d'Auvergne
#
+# Copyright (C) 2014 Troels E. Linnet
#
#
#
# This file is part of the program relax (http://www.nmr-relax.com).
#
#
#
@@ -211,7 +212,7 @@
[1.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
- [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], ])
+ [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]])
m_pA = array([
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
@@ -220,7 +221,7 @@
[2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
- [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], ])
+ [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]])
m_r10b = array([
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
@@ -229,7 +230,7 @@
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
- [1.0, 0.0, 0.0, 0.0, 0.0, 0.0, -1.0], ])
+ [1.0, 0.0, 0.0, 0.0, 0.0, 0.0, -1.0]])
m_pB = array([
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
@@ -238,7 +239,7 @@
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
- [2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], ])
+ [2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]])
m_r20a = array([
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
@@ -247,7 +248,7 @@
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
- [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], ])
+ [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]])
m_r20b = array([
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
@@ -256,7 +257,7 @@
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0],
- [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], ])
+ [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]])
m_k_AB = array([
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
@@ -265,7 +266,7 @@
[0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0],
- [0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0], ])
+ [0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0]])
m_k_BA = array([
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
@@ -274,7 +275,7 @@
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0],
[0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0],
- [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -1.0], ])
+ [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -1.0]])
m_wA = array([
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
@@ -283,7 +284,7 @@
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
- [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], ])
+ [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]])
m_wB = array([
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
@@ -292,7 +293,7 @@
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0],
- [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], ])
+ [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]])
# Multiply and expand.
m_r10a_tcp = multiply.outer( r10a_tcp, m_r10a )
@@ -358,11 +359,11 @@
m_r20a = array([
[-1.0, 0.0],
- [0.0, 0.0],], complex64)
+ [0.0, 0.0]])
m_r20b = array([
[0.0, 0.0],
- [0.0, -1.0],], complex64)
+ [0.0, -1.0]])
# Multiply and expand.
m_r20a_tcp = multiply.outer( r20a_tcp, m_r20a )
@@ -380,11 +381,11 @@
m_k_AB = array([
[-1.0, 0.0],
- [1.0, 0.0],], complex64)
+ [1.0, 0.0]])
m_k_BA = array([
[0.0, 1.0],
- [0.0, -1.0],], complex64)
+ [0.0, -1.0]])
# Multiply and expand.
m_k_AB_tcp = multiply.outer( k_AB_tcp, m_k_AB )
@@ -399,7 +400,7 @@
m_dw = array([
[0.0, 0.0],
- [0.0, 1.0],], complex64)
+ [0.0, 1.0]])
# Multiply and expand.
m_dw_tcp_C = multiply.outer( dw_tcp_C, m_dw )
@@ -477,23 +478,23 @@
m_r20a = array([
[-1.0, 0.0],
- [0.0, 0.0],])
+ [0.0, 0.0]])
m_r20b = array([
[0.0, 0.0],
- [0.0, -1.0],])
+ [0.0, -1.0]])
m_k_AB = array([
[-1.0, 0.0],
- [1.0, 0.0],])
+ [1.0, 0.0]])
m_k_BA = array([
[0.0, 1.0],
- [0.0, -1.0],])
+ [0.0, -1.0]])
m_dw = array([
[0.0, 0.0],
- [0.0, 1.0],])
+ [0.0, 1.0]])
# Multiply and expand.
m_r20a_tcp = multiply.outer( r20a_tcp, m_r20a )
@@ -707,9 +708,9 @@
# Offset of spin-lock from population-average.
d = W - offset
+ # Alias to original parameter name.
wA=dA
wB=dB
-
m_r1rho_prime = array([
[-1.0, 0.0, 0.0, 0.0, 0.0, 0.0],
@@ -717,7 +718,7 @@
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, -1.0, 0.0],
- [0.0, 0.0, 0.0, 0.0, 0.0, 0.0], ], float64)
+ [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]])
m_wA = array([
[0.0, -1.0, 0.0, 0.0, 0.0, 0.0],
@@ -725,7 +726,7 @@
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
- [0.0, 0.0, 0.0, 0.0, 0.0, 0.0], ], float64)
+ [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]])
m_wB = array([
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
@@ -733,7 +734,7 @@
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, -1.0, 0.0],
[0.0, 0.0, 0.0, 1.0, 0.0, 0.0],
- [0.0, 0.0, 0.0, 0.0, 0.0, 0.0], ], float64)
+ [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]])
m_w1 = array([
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
@@ -741,7 +742,7 @@
[0.0, 1.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, -1.0],
- [0.0, 0.0, 0.0, 0.0, 1.0, 0.0], ], float64)
+ [0.0, 0.0, 0.0, 0.0, 1.0, 0.0]])
m_k_AB = array([
[-1.0, 0.0, 0.0, 0.0, 0.0, 0.0],
@@ -749,7 +750,7 @@
[0.0, 0.0, -1.0, 0.0, 0.0, 0.0],
[1.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0, 0.0, 0.0],
- [0.0, 0.0, 1.0, 0.0, 0.0, 0.0], ], float64)
+ [0.0, 0.0, 1.0, 0.0, 0.0, 0.0]])
m_k_BA = array([
[0.0, 0.0, 0.0, 1.0, 0.0, 0.0],
@@ -757,7 +758,7 @@
[0.0, 0.0, 0.0, 0.0, 0.0, 1.0],
[0.0, 0.0, 0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, -1.0, 0.0],
- [0.0, 0.0, 0.0, 0.0, 0.0, -1.0], ], float64)
+ [0.0, 0.0, 0.0, 0.0, 0.0, -1.0]])
m_R1 = array([
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
@@ -765,7 +766,7 @@
[0.0, 0.0, -1.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
- [0.0, 0.0, 0.0, 0.0, 0.0, -1.0], ], float64)
+ [0.0, 0.0, 0.0, 0.0, 0.0, -1.0]])
# Multiply and expand.
mat_r1rho_prime = multiply.outer( r1rho_prime * relax_time,
m_r1rho_prime )
r24206 - /branches/disp_spin_speed/lib/dispersion/ns_matrices.py