r22482 - /trunk/specific_analyses/relax_disp/disp_data.py -- March 14, 2014 - 23:21

Author: tlinnet
Date: Fri Mar 14 23:21:26 2014
New Revision: 22482

URL: http://svn.gna.org/viewcvs/relax?rev=22482&view=rev
Log:
Added interpolation calculation of theta and w_eff, when dispersion points 
are interpolated.

Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs 
production for R1rho analysis with R2_eff as function of Omega_eff.

Modified:
    trunk/specific_analyses/relax_disp/disp_data.py

Modified: trunk/specific_analyses/relax_disp/disp_data.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/disp_data.py?rev=22482&r1=22481&r2=22482&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/disp_data.py     (original)
+++ trunk/specific_analyses/relax_disp/disp_data.py     Fri Mar 14 23:21:26 
2014
@@ -156,7 +156,7 @@
     return intensity
 
 
-def calc_rotating_frame_params(spin=None, spin_id=None, verbosity=0):
+def calc_rotating_frame_params(spin=None, spin_id=None, fields=None, 
verbosity=0):
     """Calculates and rotating frame parameters, calculated from:
     - The spectrometer frequency.
     - The spin-lock or hard pulse offset.
@@ -173,6 +173,8 @@
     @type spin:         SpinContainer instance
     @keyword spin_id:   The spin ID string.
     @type spin_id:      None or str
+    @keyword fields:    The spin-lock field strengths to use instead of the 
user loaded values - to enable interpolation.  The dimensions are {Ei, Mi}.
+    @type fields:       rank-2 list of floats
     @keyword verbosity: A flag specifying to print calculations.
     @type verbosity:    int
     @return:            List with dict() of theta, Domega, w_eff and list of 
dict() keys.
@@ -195,7 +197,10 @@
         raise RelaxError("The experiment type is not of R1rho type.")
 
     # Get the spin_lock_field points
-    spin_lock_nu1 = return_spin_lock_nu1(ref_flag=False)
+    if fields == None:
+        spin_lock_nu1 = return_spin_lock_nu1(ref_flag=False)
+    else:
+        spin_lock_nu1 = fields
 
     # The offset and R1 data.
     chemical_shifts, offsets, tilt_angles, Delta_omega, w_eff = 
return_offset_data(spins=[spin], spin_ids=[spin_id], field_count=field_count, 
fields=spin_lock_nu1)