r20855 - /branches/relax_disp/target_functions/relax_disp.py -- September 05, 2013 - 17:04

Author: bugman
Date: Thu Sep  5 17:04:38 2013
New Revision: 20855

URL: http://svn.gna.org/viewcvs/relax?rev=20855&view=rev
Log:
Added some sanity checks to the dispersion target function class.

R1rho models cannot be used with CPMG-type experiments, and CPMG models 
cannot be used with
R1rho-type experiments.


Modified:
    branches/relax_disp/target_functions/relax_disp.py

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=20855&r1=20854&r2=20855&view=diff
==============================================================================
--- branches/relax_disp/target_functions/relax_disp.py (original)
+++ branches/relax_disp/target_functions/relax_disp.py Thu Sep  5 17:04:38 
2013
@@ -43,7 +43,7 @@
 from lib.dispersion.tsmfk01 import r2eff_TSMFK01
 from lib.errors import RelaxError
 from target_functions.chi2 import chi2
-from specific_analyses.relax_disp.variables import MODEL_CR72, 
MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_FULL, 
MODEL_LIST_R1RHO, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, 
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_TP02, 
MODEL_TSMFK01
+from specific_analyses.relax_disp.variables import EXP_TYPE_LIST_CPMG, 
EXP_TYPE_LIST_R1RHO, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, 
MODEL_LIST_CPMG, MODEL_LIST_FULL, MODEL_LIST_R1RHO, MODEL_LM63, 
MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, 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_TP02, MODEL_TSMFK01
 
 
 class Dispersion:
@@ -135,6 +135,7 @@
         self.num_spins = num_spins
         self.num_frq = num_frq
         self.num_disp_points = num_disp_points
+        self.exp_types = exp_types
         self.values = values
         self.errors = errors
         self.missing = missing
@@ -416,9 +417,16 @@
 
         # The CPMG and R1rho single models.
         if self.model in MODEL_LIST_CPMG + MODEL_LIST_R1RHO:
+            # Remove the first dimension of the data structures.
             self.values = self.values[0]
             self.errors = self.errors[0]
             self.missing = self.missing[0]
+
+            # Check that the data is correct.
+            if self.model in MODEL_LIST_CPMG and self.exp_types[0] in 
EXP_TYPE_LIST_R1RHO:
+                raise RelaxError("The '%s' CPMG model is not compatible with 
the R1rho experiment type." % self.model)
+            if self.model in MODEL_LIST_R1RHO and self.exp_types[0] in 
EXP_TYPE_LIST_CPMG:
+                raise RelaxError("The '%s' R1rho model is not compatible 
with the CPMG experiment type." % self.model)
 
 
     def func_CR72(self, params):