Author: bugman
Date: Fri Mar 21 11:12:56 2014
New Revision: 22517
URL: http://svn.gna.org/viewcvs/relax?rev=22517&view=rev
Log:
Merged revisions 22516 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk
........
r22516 | bugman | 2014-03-21 11:09:18 +0100 (Fri, 21 Mar 2014) | 7 lines
Bug fix for all of the R1rho relaxation dispersion models.
The atan2() function is now being used rather than atan() for determining
the rotating frame tilt
angle. This is to allow the angle to be in the correct quandrant - i.e. to
have a sign or
direction.
........
Modified:
branches/double_rotor/ (props changed)
branches/double_rotor/lib/dispersion/mp05.py
branches/double_rotor/lib/dispersion/ns_r1rho_2site.py
branches/double_rotor/lib/dispersion/ns_r1rho_3site.py
branches/double_rotor/lib/dispersion/tap03.py
branches/double_rotor/lib/dispersion/tp02.py
Propchange: branches/double_rotor/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Fri Mar 21 11:12:56 2014
@@ -1 +1 @@
-/trunk:1-22512
+/trunk:1-22516
Modified: branches/double_rotor/lib/dispersion/mp05.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/lib/dispersion/mp05.py?rev=22517&r1=22516&r2=22517&view=diff
==============================================================================
--- branches/double_rotor/lib/dispersion/mp05.py (original)
+++ branches/double_rotor/lib/dispersion/mp05.py Fri Mar 21 11:12:56
2014
@@ -60,7 +60,7 @@
"""
# Python module imports.
-from math import atan, cos, pi, sin
+from math import atan2, cos, pi, sin
def r1rho_MP05(r1rho_prime=None, omega=None, offset=None, pA=None, pB=None,
dw=None, kex=None, R1=0.0, spin_lock_fields=None, spin_lock_fields2=None,
back_calc=None, num_points=None):
@@ -116,7 +116,7 @@
weff2 = spin_lock_fields2[i] + d**2 # Effective field at
pop-average.
# The rotating frame flip angle.
- theta = atan(spin_lock_fields[i] / d)
+ theta = atan2(spin_lock_fields[i], d)
# Repetitive calculations (to speed up calculations).
sin_theta2 = sin(theta)**2
Modified: branches/double_rotor/lib/dispersion/ns_r1rho_2site.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/lib/dispersion/ns_r1rho_2site.py?rev=22517&r1=22516&r2=22517&view=diff
==============================================================================
--- branches/double_rotor/lib/dispersion/ns_r1rho_2site.py (original)
+++ branches/double_rotor/lib/dispersion/ns_r1rho_2site.py Fri Mar 21
11:12:56 2014
@@ -52,7 +52,7 @@
import dep_check
# Python module imports.
-from math import atan, cos, log, pi, sin, sqrt
+from math import atan2, cos, log, pi, sin, sqrt
from numpy import dot
# relax module imports.
@@ -115,7 +115,7 @@
rr1rho_3d(matrix=matrix, R1=r1, r1rho_prime=r1rho_prime, pA=pA,
pB=pB, wA=dA, wB=dB, w1=spin_lock_fields[i], k_AB=k_AB, k_BA=k_BA)
# The following lines rotate the magnetization previous to spin-lock
into the weff frame.
- theta = atan(spin_lock_fields[i]/dA)
+ theta = atan2(spin_lock_fields[i], dA)
M0[0] = sin(theta) # The A state initial X magnetisation.
M0[2] = cos(theta) # The A state initial Z magnetisation.
Modified: branches/double_rotor/lib/dispersion/ns_r1rho_3site.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/lib/dispersion/ns_r1rho_3site.py?rev=22517&r1=22516&r2=22517&view=diff
==============================================================================
--- branches/double_rotor/lib/dispersion/ns_r1rho_3site.py (original)
+++ branches/double_rotor/lib/dispersion/ns_r1rho_3site.py Fri Mar 21
11:12:56 2014
@@ -58,7 +58,7 @@
import dep_check
# Python module imports.
-from math import atan, cos, log, pi, sin, sqrt
+from math import atan2, cos, log, pi, sin, sqrt
from numpy import dot
# relax module imports.
@@ -135,7 +135,7 @@
rr1rho_3d_3site(matrix=matrix, R1=r1, r1rho_prime=r1rho_prime,
pA=pA, pB=pB, pC=pC, wA=dA, wB=dB, wC=dC, w1=spin_lock_fields[i], k_AB=k_AB,
k_BA=k_BA, k_BC=k_BC, k_CB=k_CB, k_AC=k_AC, k_CA=k_CA)
# The following lines rotate the magnetization previous to spin-lock
into the weff frame.
- theta = atan(spin_lock_fields[i]/dA)
+ theta = atan2(spin_lock_fields[i], dA)
M0[0] = sin(theta) # The A state initial X magnetisation.
M0[2] = cos(theta) # The A state initial Z magnetisation.
Modified: branches/double_rotor/lib/dispersion/tap03.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/lib/dispersion/tap03.py?rev=22517&r1=22516&r2=22517&view=diff
==============================================================================
--- branches/double_rotor/lib/dispersion/tap03.py (original)
+++ branches/double_rotor/lib/dispersion/tap03.py Fri Mar 21 11:12:56
2014
@@ -60,7 +60,7 @@
"""
# Python module imports.
-from math import atan, cos, pi, sin, sqrt
+from math import atan2, cos, pi, sin, sqrt
def r1rho_TAP03(r1rho_prime=None, omega=None, offset=None, pA=None, pB=None,
dw=None, kex=None, R1=0.0, spin_lock_fields=None, spin_lock_fields2=None,
back_calc=None, num_points=None):
@@ -128,8 +128,8 @@
weff2 = gamma*spin_lock_fields2[i] + d**2 # Effective field at
pop-average.
# The rotating frame flip angle.
- theta = atan(spin_lock_fields[i] / d)
- hat_theta = atan(sqrt(gamma)*spin_lock_fields[i] / d)
+ theta = atan2(spin_lock_fields[i], d)
+ hat_theta = atan2(sqrt(gamma)*spin_lock_fields[i], d)
# Repetitive calculations (to speed up calculations).
sin_theta2 = sin(theta)**2
Modified: branches/double_rotor/lib/dispersion/tp02.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/lib/dispersion/tp02.py?rev=22517&r1=22516&r2=22517&view=diff
==============================================================================
--- branches/double_rotor/lib/dispersion/tp02.py (original)
+++ branches/double_rotor/lib/dispersion/tp02.py Fri Mar 21 11:12:56
2014
@@ -60,7 +60,7 @@
"""
# Python module imports.
-from math import atan, cos, pi, sin
+from math import atan2, cos, pi, sin
def r1rho_TP02(r1rho_prime=None, omega=None, offset=None, pA=None, pB=None,
dw=None, kex=None, R1=0.0, spin_lock_fields=None, spin_lock_fields2=None,
back_calc=None, num_points=None):
@@ -118,7 +118,7 @@
weff2 = spin_lock_fields2[i] + d2 # Effective field at
pop-average.
# The rotating frame flip angle.
- theta = atan(spin_lock_fields[i] / d)
+ theta = atan2(spin_lock_fields[i], d)
# Repetitive calculations (to speed up calculations).
sin_theta2 = sin(theta)**2
r22517 - in /branches/double_rotor: ./ lib/dispersion/