r21721 - /trunk/target_functions/relax_disp.py -- November 29, 2013 - 15:14

Author: bugman
Date: Fri Nov 29 15:14:01 2013
New Revision: 21721

URL: http://svn.gna.org/viewcvs/relax?rev=21721&view=rev
Log:
Another fix for bug #21309, the 'R2eff' dispersion model failure when peak 
intensity data is missing.

The bug is reported at https://gna.org/bugs/?21309.

This second problem is only for the numeric CPMG models for when all data at 
one magnetic field
strength is missing.  When the relaxation dispersion target function is being 
set up, the creation
of the self.power data structure holding the number of CPMG blocks fails.  
The problem is that the
relaxation time for the missing field strength is set to NaN.  This is now 
caught using
lib.float.isNaN().


Modified:
    trunk/target_functions/relax_disp.py

Modified: trunk/target_functions/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/target_functions/relax_disp.py?rev=21721&r1=21720&r2=21721&view=diff
==============================================================================
--- trunk/target_functions/relax_disp.py (original)
+++ trunk/target_functions/relax_disp.py Fri Nov 29 15:14:01 2013
@@ -48,6 +48,7 @@
 from lib.dispersion.tap03 import r1rho_TAP03
 from lib.dispersion.tsmfk01 import r2eff_TSMFK01
 from lib.errors import RelaxError
+from lib.float import isNaN
 from target_functions.chi2 import chi2
 from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_DQ, 
EXP_TYPE_CPMG_MQ, EXP_TYPE_CPMG_PROTON_MQ, EXP_TYPE_CPMG_PROTON_SQ, 
EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_ZQ, EXP_TYPE_R1RHO, MODEL_CR72, 
MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_FULL, 
MODEL_LIST_MMQ, MODEL_LIST_MQ_CPMG, MODEL_LIST_R1RHO, MODEL_LM63, 
MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MMQ_2SITE, MODEL_MP05, 
MODEL_MQ_CR72, MODEL_NOREX, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, 
MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, 
MODEL_NS_R1RHO_2SITE, MODEL_R2EFF, MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01
 
@@ -231,7 +232,13 @@
                 for frq_index in range(self.num_frq):
                     
self.power[exp_type_index].append(zeros(self.num_disp_points[exp_type_index][frq_index],
 int16))
                     for i in 
range(self.num_disp_points[exp_type_index][frq_index]):
-                        self.power[exp_type_index][frq_index][i] = 
int(round(self.cpmg_frqs[exp_type_index][frq_index][i] * 
self.relax_times[exp_type_index][frq_index]))
+                        # Missing data for an entire field strength.
+                        if 
isNaN(self.relax_times[exp_type_index][frq_index]):
+                            self.power[exp_type_index][frq_index][i] = 0.0
+
+                        # Normal value.
+                        else:
+                            self.power[exp_type_index][frq_index][i] = 
int(round(self.cpmg_frqs[exp_type_index][frq_index][i] * 
self.relax_times[exp_type_index][frq_index]))
 
             # The tau_cpmg times.
             self.tau_cpmg = []