r21944 - in /trunk/specific_analyses/relax_disp: api.py disp_data.py -- December 10, 2013 - 20:50

Author: bugman
Date: Tue Dec 10 20:50:56 2013
New Revision: 21944

URL: http://svn.gna.org/viewcvs/relax?rev=21944&view=rev
Log:
The average_intensity() dispersion function now accepts the offset argument.

This is for better support of combined offset and spin-lock varied R1rho-type 
data.  The argument is
then passed into the find_intensity_keys() function.


Modified:
    trunk/specific_analyses/relax_disp/api.py
    trunk/specific_analyses/relax_disp/disp_data.py

Modified: trunk/specific_analyses/relax_disp/api.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/api.py?rev=21944&r1=21943&r2=21944&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/api.py (original)
+++ trunk/specific_analyses/relax_disp/api.py Tue Dec 10 20:50:56 2013
@@ -151,8 +151,8 @@
         times = []
         for time in cdp.relax_time_list:
             # The data.
-            values.append(average_intensity(spin=spin, exp_type=exp_type, 
frq=frq, point=point, time=time))
-            errors.append(average_intensity(spin=spin, exp_type=exp_type, 
frq=frq, point=point, time=time, error=True))
+            values.append(average_intensity(spin=spin, exp_type=exp_type, 
frq=frq, offset=offset, point=point, time=time))
+            errors.append(average_intensity(spin=spin, exp_type=exp_type, 
frq=frq, offset=offset, point=point, time=time, error=True))
             times.append(time)
 
         # The scaling matrix in a diagonalised list form.
@@ -218,12 +218,12 @@
                     continue
 
                 # Average the reference intensity data and errors.
-                ref_intensity = average_intensity(spin=spin, 
exp_type=exp_type, frq=frq, point=None, time=time)
-                ref_intensity_err = average_intensity(spin=spin, 
exp_type=exp_type, frq=frq, point=None, time=time, error=True)
+                ref_intensity = average_intensity(spin=spin, 
exp_type=exp_type, frq=frq, offset=offset, point=None, time=time)
+                ref_intensity_err = average_intensity(spin=spin, 
exp_type=exp_type, frq=frq, offset=offset, point=None, time=time, error=True)
 
                 # Average the intensity data and errors.
-                intensity = average_intensity(spin=spin, exp_type=exp_type, 
frq=frq, point=point, time=time)
-                intensity_err = average_intensity(spin=spin, 
exp_type=exp_type, frq=frq, point=point, time=time, error=True)
+                intensity = average_intensity(spin=spin, exp_type=exp_type, 
frq=frq, offset=offset, point=point, time=time)
+                intensity_err = average_intensity(spin=spin, 
exp_type=exp_type, frq=frq, offset=offset, point=point, time=time, error=True)
 
                 # Calculate the R2eff value.
                 spin.r2eff[param_key] = 
calc_two_point_r2eff(relax_time=time, I_ref=ref_intensity, I=intensity)
@@ -379,8 +379,8 @@
                 errors = []
                 times = []
                 for time in cdp.relax_time_list:
-                    values.append(average_intensity(spin=spin, 
exp_type=exp_type, frq=frq, point=point, time=time, sim_index=sim_index))
-                    errors.append(average_intensity(spin=spin, 
exp_type=exp_type, frq=frq, point=point, time=time, error=True))
+                    values.append(average_intensity(spin=spin, 
exp_type=exp_type, frq=frq, offset=offset, point=point, time=time, 
sim_index=sim_index))
+                    errors.append(average_intensity(spin=spin, 
exp_type=exp_type, frq=frq, offset=offset, point=point, time=time, 
error=True))
                     times.append(time)
 
                 # The scaling matrix in a diagonalised list form.
@@ -1374,7 +1374,7 @@
             # Generate the data structure to return.
             errors = []
             for time in cdp.relax_time_list:
-                errors.append(average_intensity(spin=spin, 
exp_type=exp_type, frq=frq, point=point, time=time, error=True))
+                errors.append(average_intensity(spin=spin, 
exp_type=exp_type, frq=frq, offset=offset, point=point, time=time, 
error=True))
 
         # All other models.
         else:

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=21944&r1=21943&r2=21944&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/disp_data.py (original)
+++ trunk/specific_analyses/relax_disp/disp_data.py Tue Dec 10 20:50:56 2013
@@ -84,7 +84,7 @@
 R20_KEY_FORMAT = "%s - %.8f MHz"
 
 
-def average_intensity(spin=None, exp_type=None, frq=None, point=None, 
time=None, sim_index=None, error=False):
+def average_intensity(spin=None, exp_type=None, frq=None, offset=None, 
point=None, time=None, sim_index=None, error=False):
     """Return the average peak intensity for the spectrometer frequency, 
dispersion point, and relaxation time.
 
     This is for handling replicate peak intensity data.
@@ -96,6 +96,8 @@
     @type exp_type:     str
     @keyword frq:       The spectrometer frequency.
     @type frq:          float
+    @keyword offset:    The spin-lock or hard pulse offset.
+    @type offset:       float
     @keyword point:     The dispersion point data (either the spin-lock 
field strength in Hz or the nu_CPMG frequency in Hz).
     @type point:        float
     @keyword time:      The relaxation time period.
@@ -109,7 +111,7 @@
     """
 
     # The keys.
-    int_keys = find_intensity_keys(exp_type=exp_type, frq=frq, point=point, 
time=time)
+    int_keys = find_intensity_keys(exp_type=exp_type, frq=frq, 
offset=offset, point=point, time=time)
 
     # Initialise.
     intensity = 0.0