Author: tlinnet
Date: Wed Aug 20 21:48:37 2014
New Revision: 25127
URL: http://svn.gna.org/viewcvs/relax?rev=25127&view=rev
Log:
Fix for parameter conversion for:
MODEL_PARAMS_NS_MMQ_3SITE
and
MODEL_PARAMS_NS_MMQ_3SITE_LINEAR
Modified:
trunk/specific_analyses/relax_disp/model.py
Modified: trunk/specific_analyses/relax_disp/model.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/model.py?rev=25127&r1=25126&r2=25127&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/model.py (original)
+++ trunk/specific_analyses/relax_disp/model.py Wed Aug 20 21:48:37 2014
@@ -30,7 +30,7 @@
# relax module imports.
from lib.errors import RelaxError
from specific_analyses.relax_disp.checks import check_missing_r1
-from specific_analyses.relax_disp.variables import EQ_ANALYTIC, EQ_NUMERIC,
EQ_SILICO, EXP_TYPE_CPMG_MMQ, EXP_TYPE_R1RHO, EXP_TYPE_CPMG_SQ,
EXP_TYPE_NOREX, EXP_TYPE_NOREX_R1RHO, EXP_TYPE_R2EFF, MODEL_DESC, MODEL_EQ,
MODEL_EXP_TYPE, MODEL_LIST_ANALYTIC_CPMG, MODEL_LIST_NUMERIC_CPMG,
MODEL_LIST_R1RHO_FIT_R1_ONLY, MODEL_LIST_R1RHO_W_R1_ONLY, MODEL_CR72,
MODEL_DPL94, MODEL_DPL94_FIT_R1, MODEL_FIT_R1, MODEL_IT99, MODEL_LM63,
MODEL_LM63_3SITE, MODEL_MMQ_CR72, MODEL_NEST, MODEL_NOREX, MODEL_NOREX_R1RHO,
MODEL_NOREX_R1RHO_FIT_R1, 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_PARAMS, MODEL_PARAMS_LM63,
MODEL_PARAMS_LM63_3SITE, MODEL_PARAMS_NS_R1RHO_3SITE,
MODEL_PARAMS_NS_R1RHO_3SITE_LINEAR, MODEL_PARAMS_NS_R1RHO_2SITE,
MODEL_LIST_R1RHO_FIT_R1_ONLY, MODEL_LIST_R1RHO_W_R1_ONLY, MODEL_R2EFF,
MODEL_SITES, MODEL_YEAR, PARAMS_R20
+from specific_analyses.relax_disp.variables import EQ_ANALYTIC, EQ_NUMERIC,
EQ_SILICO, EXP_TYPE_CPMG_MMQ, EXP_TYPE_R1RHO, EXP_TYPE_CPMG_SQ,
EXP_TYPE_NOREX, EXP_TYPE_NOREX_R1RHO, EXP_TYPE_R2EFF, MODEL_DESC, MODEL_EQ,
MODEL_EXP_TYPE, MODEL_LIST_ANALYTIC_CPMG, MODEL_LIST_NUMERIC_CPMG,
MODEL_LIST_R1RHO_FIT_R1_ONLY, MODEL_LIST_R1RHO_W_R1_ONLY, MODEL_CR72,
MODEL_DPL94, MODEL_DPL94_FIT_R1, MODEL_FIT_R1, MODEL_IT99,
MODEL_LIST_R1RHO_FIT_R1_ONLY, MODEL_LIST_R1RHO_W_R1_ONLY, MODEL_LM63,
MODEL_LM63_3SITE, MODEL_MMQ_CR72, MODEL_NEST, MODEL_NOREX, MODEL_NOREX_R1RHO,
MODEL_NOREX_R1RHO_FIT_R1, 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_PARAMS, MODEL_PARAMS_LM63,
MODEL_PARAMS_LM63_3SITE, MODEL_PARAMS_NS_MMQ_2SITE,
MODEL_PARAMS_NS_MMQ_3SITE, MODEL_PARAMS_NS_MMQ_3SITE_LINEAR,
MODEL_PARAMS_NS_R1RHO_2SITE, MODEL_PARAMS_NS_R1RHO_3SITE,
MODEL_PARAMS_NS_R1RHO_3SITE_LINEAR, MODEL_R2EFF, MODEL_SITES, MODEL_YEAR,
PARAMS_R20
# Define class for describing the model.
@@ -317,13 +317,13 @@
par_dic[param] = 'kex'
## The 'MODEL_PARAMS_NS_R1RHO_3SITE' model parameters from
'MODEL_PARAMS_NS_R1RHO_3SITE_LINEAR'.
- if set(model_params) == set(MODEL_PARAMS_NS_R1RHO_3SITE) and
set(nested_model_params) == set(MODEL_PARAMS_NS_R1RHO_3SITE_LINEAR):
+ elif set(model_params) == set(MODEL_PARAMS_NS_R1RHO_3SITE) and
set(nested_model_params) == set(MODEL_PARAMS_NS_R1RHO_3SITE_LINEAR):
for param in model_params:
if param == 'kex_AC':
par_dic[param] = '0.0'
## The 'MODEL_PARAMS_NS_R1RHO_3SITE_LINEAR' model parameters from R1RHO
2SITE.
- if set(model_params) == set(MODEL_PARAMS_NS_R1RHO_3SITE_LINEAR) and
set(nested_model_params) == set(MODEL_PARAMS_NS_R1RHO_2SITE):
+ elif set(model_params) == set(MODEL_PARAMS_NS_R1RHO_3SITE_LINEAR) and
set(nested_model_params) == set(MODEL_PARAMS_NS_R1RHO_2SITE):
for param in model_params:
if param == 'dw_AB':
par_dic[param] = 'dw'
@@ -341,7 +341,7 @@
par_dic[param] = '1 - pA'
## The 'MODEL_PARAMS_NS_R1RHO_3SITE' model parameters from R1RHO 2SITE.
- if set(model_params) == set(MODEL_PARAMS_NS_R1RHO_3SITE) and
set(nested_model_params) == set(MODEL_PARAMS_NS_R1RHO_2SITE):
+ elif set(model_params) == set(MODEL_PARAMS_NS_R1RHO_3SITE) and
set(nested_model_params) == set(MODEL_PARAMS_NS_R1RHO_2SITE):
for param in model_params:
if param == 'dw_AB':
par_dic[param] = 'dw'
@@ -351,6 +351,63 @@
elif param == 'dw_BC':
par_dic[param] = 'dw'
+
+ elif param == 'kex_BC':
+ par_dic[param] = 'kex'
+
+ elif param == 'kex_AC':
+ par_dic[param] = 'kex'
+
+ elif param == 'pB':
+ par_dic[param] = '1 - pA'
+
+ ## The 'MODEL_PARAMS_NS_MMQ_3SITE' model parameters from
'MODEL_PARAMS_NS_MMQ_3SITE_LINEAR'.
+ elif set(model_params) == set(MODEL_PARAMS_NS_MMQ_3SITE) and
set(nested_model_params) == set(MODEL_PARAMS_NS_MMQ_3SITE_LINEAR):
+ for param in model_params:
+ if param == 'kex_AC':
+ par_dic[param] = '0.0'
+
+ ## The 'MODEL_PARAMS_NS_MMQ_3SITE_LINEAR' model parameters from
'MODEL_PARAMS_NS_MMQ_2'.
+ elif set(model_params) == set(MODEL_PARAMS_NS_MMQ_3SITE_LINEAR) and
set(nested_model_params) == set(MODEL_PARAMS_NS_MMQ_2SITE):
+ for param in model_params:
+ if param == 'dw_AB':
+ par_dic[param] = 'dw'
+
+ elif param == 'dwH_AB':
+ par_dic[param] = 'dwH'
+
+ elif param == 'kex_AB':
+ par_dic[param] = 'kex'
+
+ elif param == 'dw_BC':
+ par_dic[param] = 'dw'
+
+ elif param == 'dwH_BC':
+ par_dic[param] = 'dwH'
+
+ elif param == 'kex_BC':
+ par_dic[param] = 'kex'
+
+ elif param == 'pB':
+ par_dic[param] = '1 - pA'
+
+ ## The 'MODEL_PARAMS_NS_MMQ_3SITE' model parameters from
'MODEL_PARAMS_NS_MMQ_2'.
+ elif set(model_params) == set(MODEL_PARAMS_NS_MMQ_3SITE) and
set(nested_model_params) == set(MODEL_PARAMS_NS_MMQ_2SITE):
+ for param in model_params:
+ if param == 'dw_AB':
+ par_dic[param] = 'dw'
+
+ elif param == 'dwH_AB':
+ par_dic[param] = 'dwH'
+
+ elif param == 'kex_AB':
+ par_dic[param] = 'kex'
+
+ elif param == 'dw_BC':
+ par_dic[param] = 'dw'
+
+ elif param == 'dwH_BC':
+ par_dic[param] = 'dwH'
elif param == 'kex_BC':
par_dic[param] = 'kex'
r25127 - /trunk/specific_analyses/relax_disp/model.py