Re: r24938 - in /branches/R1_fitting: specific_analyses/relax_disp/variables.py target_functions/relax_disp.py -- August 18, 2014

Hi,

Again you could insert "LIST_" for clarity into this variable name.

Cheers,

Edward



On 4 August 2014 16:28,  <tlinnet@xxxxxxxxxxxxx> wrote:

Author: tlinnet
Date: Mon Aug  4 16:28:02 2014
New Revision: 24938

URL: http://svn.gna.org/viewcvs/relax?rev=24938&view=rev
Log:
Added new variable, for models which has parameters with mixed dw, and has 
two variables. For example with both dw and dwH or dw_AB and dw_BC or 
phi_ex_B and phi_ex_C.

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation 
rate for the off-resonance R1rho relaxation dispersion models.

Modified:
    branches/R1_fitting/specific_analyses/relax_disp/variables.py
    branches/R1_fitting/target_functions/relax_disp.py

Modified: branches/R1_fitting/specific_analyses/relax_disp/variables.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/R1_fitting/specific_analyses/relax_disp/variables.py?rev=24938&r1=24937&r2=24938&view=diff
==============================================================================
--- branches/R1_fitting/specific_analyses/relax_disp/variables.py       
(original)
+++ branches/R1_fitting/specific_analyses/relax_disp/variables.py       Mon 
Aug  4 16:28:02 2014
@@ -232,6 +232,10 @@

 MODEL_PARAM_R20B = [MODEL_B14_FULL, MODEL_CR72_FULL, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR_FULL]
 """Models using R20B."""
+
+MODEL_PARAM_DW_MIX_DOUBLE = [MODEL_LM63_3SITE, MODEL_MMQ_CR72, 
MODEL_NS_MMQ_2SITE]
+"""Models using parameters with mixed dw, and has two variables. For 
example with both dw and dwH or dw_AB and dw_BC or phi_ex_B and phi_ex_C."""
+


 # Full model description list.

Modified: branches/R1_fitting/target_functions/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/R1_fitting/target_functions/relax_disp.py?rev=24938&r1=24937&r2=24938&view=diff
==============================================================================
--- branches/R1_fitting/target_functions/relax_disp.py  (original)
+++ branches/R1_fitting/target_functions/relax_disp.py  Mon Aug  4 16:28:02 
2014
@@ -55,7 +55,7 @@
 from lib.errors import RelaxError
 from lib.float import isNaN
 from target_functions.chi2 import chi2_rankN
-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_LIST_CPMG, EXP_TYPE_R1RHO, 
MODEL_B14, MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, 
MODEL_DPL94_FIT_R1, MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_FULL, 
MODEL_LIST_MMQ, MODEL_LIST_MQ_CPMG, MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO, 
MODEL_LIST_R1RHO_FULL, MODEL_LIST_R1RHO_FIT_R1, MODEL_LM63, 
MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MP05, MODEL_MMQ_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_MMQ_2SITE, MODEL_NS_MMQ_3SITE, 
MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, 
MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_PARAM_INV_RELAX_TIMES, MODEL_PARAM_R20B, 
MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01
+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_LIST_CPMG, EXP_TYPE_R1RHO, 
MODEL_B14, MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, 
MODEL_DPL94_FIT_R1, MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_FULL, 
MODEL_LIST_MMQ, MODEL_LIST_MQ_CPMG, MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO, 
MODEL_LIST_R1RHO_FULL, MODEL_LIST_R1RHO_FIT_R1, MODEL_LM63, 
MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MP05, MODEL_MMQ_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_MMQ_2SITE, MODEL_NS_MMQ_3SITE, 
MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, 
MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_PARAM_DW_MIX_DOUBLE, 
MODEL_PARAM_INV_RELAX_TIMES, MODEL_PARAM_R20B, MODEL_TAP03, MODEL_TP02, 
MODEL_TSMFK01


 class Dispersion:
@@ -410,11 +410,15 @@

         # The spin and dependent parameters (phi_ex, dw, padw2).
         self.end_index.append(self.end_index[-1] + self.NS)
-        if model in [MODEL_LM63_3SITE, MODEL_MMQ_CR72, MODEL_NS_MMQ_2SITE]:
+
+        # For models with both dw and dwH or dw_AB and dw_BC or phi_ex_B 
and phi_ex_C.
+        if model in MODEL_PARAM_DW_MIX_DOUBLE:
             self.end_index.append(self.end_index[-1] + self.NS)
+
         elif model in [MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR]:
             self.end_index.append(self.end_index[-1] + self.NS)
             self.end_index.append(self.end_index[-1] + self.NS)
+
         elif model in [MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR]:
             self.end_index.append(self.end_index[-1] + self.NS)
             self.end_index.append(self.end_index[-1] + self.NS)


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Re: r24938 - in /branches/R1_fitting: specific_analyses/relax_disp/variables.py target_functions/relax_disp.py

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