Author: bugman
Date: Thu Jun 6 18:44:59 2013
New Revision: 19904
URL: http://svn.gna.org/viewcvs/relax?rev=19904&view=rev
Log:
Variable renaming in the lib.dispersion.m61 module.
The variable names are now more suited to R1rho-type data, rather than
CPMG-type data.
Modified:
branches/relax_disp/lib/dispersion/m61.py
branches/relax_disp/target_functions/relax_disp.py
Modified: branches/relax_disp/lib/dispersion/m61.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/m61.py?rev=19904&r1=19903&r2=19904&view=diff
==============================================================================
--- branches/relax_disp/lib/dispersion/m61.py (original)
+++ branches/relax_disp/lib/dispersion/m61.py Thu Jun 6 18:44:59 2013
@@ -44,38 +44,38 @@
from math import pi, sin
-def r2eff_M61(r1rho0=None, phi_ex=None, kex=None, theta=pi/2,
cpmg_frqs=None, back_calc=None, num_points=None):
+def r2eff_M61(r1rho_prime=None, phi_ex=None, kex=None, theta=pi/2,
spin_lock_fields=None, back_calc=None, num_points=None):
"""Calculate the R2eff values for the M61 model.
See the module docstring for details.
- @keyword r1rho0: The R1rho0 parameter value (R1rho with no
exchange).
- @type r1rho0: float
- @keyword phi_ex: The phi_ex parameter value (pA * pB *
delta_omega^2).
- @type phi_ex: float
- @keyword kex: The kex parameter value (the exchange rate in
rad/s).
- @type kex: float
- @keyword theta: The rotating frame tilt angle.
- @type theta: float
- @keyword cpmg_frqs: The CPMG nu1 frequencies.
- @type cpmg_frqs: numpy rank-1 float array
- @keyword back_calc: The array for holding the back calculated R2eff
values. Each element corresponds to one of the CPMG nu1 frequencies.
- @type back_calc: numpy rank-1 float array
- @keyword num_points: The number of points on the dispersion curve,
equal to the length of the cpmg_frqs and back_calc arguments.
- @type num_poinst: int
+ @keyword r1rho_prime: The R1rho_prime parameter value (R1rho with
no exchange).
+ @type r1rho_prime: float
+ @keyword phi_ex: The phi_ex parameter value (pA * pB *
delta_omega^2).
+ @type phi_ex: float
+ @keyword kex: The kex parameter value (the exchange rate
in rad/s).
+ @type kex: float
+ @keyword theta: The rotating frame tilt angle.
+ @type theta: float
+ @keyword spin_lock_fields: The CPMG nu1 frequencies.
+ @type spin_lock_fields: numpy rank-1 float array
+ @keyword back_calc: The array for holding the back calculated
R1rho values. Each element corresponds to one of the spin-lock fields.
+ @type back_calc: numpy rank-1 float array
+ @keyword num_points: The number of points on the dispersion
curve, equal to the length of the spin_lock_fields and back_calc arguments.
+ @type num_poinst: int
"""
# Loop over the time points, back calculating the R2eff values.
for i in range(num_points):
# Catch zeros (to avoid pointless mathematical operations).
if phi_ex == 0.0 or kex == 0.0:
- back_calc[i] = r20
+ back_calc[i] = r1rho_prime
# Avoid divide by zero.
- elif kex == 0.0 and cpmg_frqs[i] == 0.0:
+ elif kex == 0.0 and spin_lock_fields[i] == 0.0:
back_calc[i] = 1e100
# The full formula.
else:
- back_calc[i] = r1rho0 + sin(theta) * phi_ex * kex / (kex**2 +
cpmg_frqs[i]**2)
+ back_calc[i] = r1rho_prime + sin(theta) * phi_ex * kex / (kex**2
+ spin_lock_fields[i]**2)
Modified: branches/relax_disp/target_functions/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/target_functions/relax_disp.py?rev=19904&r1=19903&r2=19904&view=diff
==============================================================================
--- branches/relax_disp/target_functions/relax_disp.py (original)
+++ branches/relax_disp/target_functions/relax_disp.py Thu Jun 6 18:44:59
2013
@@ -240,7 +240,7 @@
phi_ex_scaled = phi_ex * self.frqs[spin_index, frq_index]**2
# Back calculate the R2eff values.
- r2eff_M61(r20=R20[frq_index], phi_ex=phi_ex_scaled, kex=kex,
cpmg_frqs=self.cpmg_frqs, back_calc=self.back_calc[spin_index, frq_index],
num_points=self.num_disp_points)
+ r2eff_M61(r1rho_prime=R20[frq_index], phi_ex=phi_ex_scaled,
kex=kex, spin_lock_fields=self.cpmg_frqs,
back_calc=self.back_calc[spin_index, frq_index],
num_points=self.num_disp_points)
# For all missing data points, set the back-calculated value
to the measured values so that it has no effect on the chi-squared value.
for point_index in range(self.num_disp_points):
r19904 - in /branches/relax_disp: lib/dispersion/m61.py target_functions/relax_disp.py