Author: bugman
Date: Thu Aug 21 14:52:20 2014
New Revision: 25163
URL: http://svn.gna.org/viewcvs/relax?rev=25163&view=rev
Log:
Merger of the 'No Rex' and 'No Rex R1rho off res' models in the
specific_analyses.relax_disp package.
In the 'variables' module, all *_NOREX_R1RHO variables have simply been deleted
and the MODEL_LIST_*
structures updated.
For the 'data' module, the is_r1_optimised() function was modified to catch the
'No Rex' model and
to then use the cdp.exp_type_list structure to determine if the experiment type
is EXP_TYPE_R1RHO.
This will be modified in the future by using a function for determining if the
current experiment is
on or off-resonance. The return_r1_data() and return_r1_err_data() functions
have also been
modified to check if R1 values are fit rather than if the model is in
MODEL_LIST_R1RHO_OFF_RES.
In the 'model' module, in addition to deleting all *_NOREX_R1RHO variables, the
convert_no_rex()
function has also been deleted as it no longer serves a purpose.
In the 'checks' module, all 'No Rex R1rho off res' model references have been
replaced with 'No
Rex'.
Modified:
trunk/specific_analyses/relax_disp/checks.py
trunk/specific_analyses/relax_disp/data.py
trunk/specific_analyses/relax_disp/model.py
trunk/specific_analyses/relax_disp/variables.py
Modified: trunk/specific_analyses/relax_disp/checks.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/checks.py?rev=25163&r1=25162&r2=25163&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/checks.py (original)
+++ trunk/specific_analyses/relax_disp/checks.py Thu Aug 21 14:52:20 2014
@@ -1,6 +1,6 @@
###############################################################################
# #
-# Copyright (C) 2013 Edward d'Auvergne #
+# Copyright (C) 2013-2014 Edward d'Auvergne #
# Copyright (C) 2013-2014 Troels E. Linnet #
# #
# This file is part of the program relax (http://www.nmr-relax.com). #
@@ -30,7 +30,7 @@
from dep_check import C_module_exp_fn
from lib.errors import RelaxError, RelaxFuncSetupError,
RelaxNoPeakIntensityError
import specific_analyses
-from specific_analyses.relax_disp.variables import EXP_TYPE_LIST_CPMG,
EXP_TYPE_LIST_R1RHO, MODEL_LIST_R1RHO_OFF_RES, MODEL_NOREX_R1RHO
+from specific_analyses.relax_disp.variables import EXP_TYPE_LIST_CPMG,
EXP_TYPE_LIST_R1RHO, MODEL_LIST_R1RHO_OFF_RES, MODEL_NOREX
def check_c_modules():
@@ -188,7 +188,7 @@
"""
# Check that the model uses R1 data.
- if model in [MODEL_NOREX_R1RHO] + MODEL_LIST_R1RHO_OFF_RES:
+ if model in [MODEL_NOREX] + MODEL_LIST_R1RHO_OFF_RES:
# If R1 ids are present.
if hasattr(cdp, 'ri_ids'):
return False
Modified: trunk/specific_analyses/relax_disp/data.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/data.py?rev=25163&r1=25162&r2=25163&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/data.py (original)
+++ trunk/specific_analyses/relax_disp/data.py Thu Aug 21 14:52:20 2014
@@ -79,7 +79,7 @@
from pipe_control import value
import specific_analyses
from specific_analyses.relax_disp.checks import check_exp_type,
check_interpolate_offset_cpmg_model, check_missing_r1, check_mixed_curve_types
-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_DESC_CPMG_DQ,
EXP_TYPE_DESC_CPMG_MQ, EXP_TYPE_DESC_CPMG_PROTON_MQ,
EXP_TYPE_DESC_CPMG_PROTON_SQ, EXP_TYPE_DESC_CPMG_SQ, EXP_TYPE_DESC_CPMG_ZQ,
EXP_TYPE_DESC_R1RHO, EXP_TYPE_LIST, EXP_TYPE_LIST_CPMG, EXP_TYPE_LIST_R1RHO,
EXP_TYPE_R1RHO, MODEL_B14, MODEL_B14_FULL, MODEL_DPL94, MODEL_LIST_FIT_R1,
MODEL_LIST_MMQ, MODEL_LIST_NUMERIC_CPMG, MODEL_LIST_R1RHO_FULL,
MODEL_LIST_R1RHO_ON_RES, MODEL_LIST_R1RHO_OFF_RES, MODEL_MP05,
MODEL_NS_R1RHO_2SITE, MODEL_PARAMS, MODEL_R2EFF, MODEL_TAP03, MODEL_TP02,
PARAMS_R20
+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_DESC_CPMG_DQ,
EXP_TYPE_DESC_CPMG_MQ, EXP_TYPE_DESC_CPMG_PROTON_MQ,
EXP_TYPE_DESC_CPMG_PROTON_SQ, EXP_TYPE_DESC_CPMG_SQ, EXP_TYPE_DESC_CPMG_ZQ,
EXP_TYPE_DESC_R1RHO, EXP_TYPE_LIST, EXP_TYPE_LIST_CPMG, EXP_TYPE_LIST_R1RHO,
EXP_TYPE_R1RHO, MODEL_B14, MODEL_B14_FULL, MODEL_DPL94, MODEL_LIST_FIT_R1,
MODEL_LIST_MMQ, MODEL_LIST_NUMERIC_CPMG, MODEL_LIST_R1RHO_FULL,
MODEL_LIST_R1RHO_ON_RES, MODEL_LIST_R1RHO_OFF_RES, MODEL_MP05, MODEL_NOREX,
MODEL_NS_R1RHO_2SITE, MODEL_PARAMS, MODEL_R2EFF, MODEL_TAP03, MODEL_TP02,
PARAMS_R20
from stat import S_IRWXU, S_IRGRP, S_IROTH
from os import chmod, sep
@@ -1029,6 +1029,8 @@
# Return False for all models which do not support R1 optimisation.
if model not in MODEL_LIST_FIT_R1:
+ return False
+ if model == MODEL_NOREX and (cdp != None and hasattr(cdp, 'exp_type_list')
and EXP_TYPE_R1RHO not in cdp.exp_type_list):
return False
# Firstly use the R1 fit flag as an override.
@@ -4063,7 +4065,7 @@
r1_fit = is_r1_optimised(model=spins[0].model)
# Check for the presence of data.
- if not hasattr(cdp, 'ri_ids') and spins[0].model not in
MODEL_LIST_R1RHO_OFF_RES:
+ if not r1_fit and not hasattr(cdp, 'ri_ids'):
warn_text = "No R1 relaxation data has been loaded. Setting it to
0.0. This is essential for the proper handling of offsets in off-resonance
R1rho experiments."
error_text = "No R1 relaxation data has been loaded. This is
essential for the proper handling of offsets in off-resonance R1rho
experiments."
if has_r1rho_exp_type():
@@ -4178,7 +4180,7 @@
r1_fit = is_r1_optimised(model=spins[0].model)
# Check for the presence of data.
- if not hasattr(cdp, 'ri_ids') and spins[0].model not in
MODEL_LIST_R1RHO_OFF_RES:
+ if not r1_fit and not hasattr(cdp, 'ri_ids'):
warn_text = "No R1 relaxation data has been loaded. Setting it to
0.0. This is essential for the proper handling of offsets in off-resonance
R1rho experiments."
error_text = "No R1 relaxation data has been loaded. This is
essential for the proper handling of offsets in off-resonance R1rho
experiments."
if has_r1rho_exp_type():
Modified: trunk/specific_analyses/relax_disp/model.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/model.py?rev=25163&r1=25162&r2=25163&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/model.py (original)
+++ trunk/specific_analyses/relax_disp/model.py Thu Aug 21 14:52:20 2014
@@ -1,6 +1,7 @@
###############################################################################
# #
# Copyright (C) 2014 Troels E. Linnet #
+# Copyright (C) 2014 Edward d'Auvergne #
# #
# This file is part of the program relax (http://www.nmr-relax.com). #
# #
@@ -31,7 +32,7 @@
from lib.errors import RelaxError
from specific_analyses.relax_disp.checks import check_missing_r1
from specific_analyses.relax_disp.data import is_r1_optimised
-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_OFF_RES,
MODEL_CR72, MODEL_DPL94, MODEL_IT99, MODEL_LM63, MODEL_LM63_3SITE,
MODEL_MMQ_CR72, MODEL_NEST, MODEL_NOREX, MODEL_NOREX_R1RHO, 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
+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_R2EFF, MODEL_DESC, MODEL_EQ, MODEL_EXP_TYPE, MODEL_LIST_ANALYTIC_CPMG,
MODEL_LIST_NUMERIC_CPMG, MODEL_LIST_R1RHO_OFF_RES, MODEL_CR72, MODEL_DPL94,
MODEL_IT99, MODEL_LM63, MODEL_LM63_3SITE, MODEL_MMQ_CR72, MODEL_NEST,
MODEL_NOREX, 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.
@@ -81,7 +82,7 @@
self.nest_list = nest_list
# Define the order of how exp type ranks.
- order_exp_type = [EXP_TYPE_R2EFF, EXP_TYPE_NOREX,
EXP_TYPE_NOREX_R1RHO, EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_MMQ, EXP_TYPE_R1RHO]
+ order_exp_type = [EXP_TYPE_R2EFF, EXP_TYPE_NOREX, EXP_TYPE_CPMG_SQ,
EXP_TYPE_CPMG_MMQ, EXP_TYPE_R1RHO]
# Save the index of current model to order of equation type.
self.exp_type_i = order_exp_type.index(self.exp_type)
@@ -104,74 +105,6 @@
# Make a readable presentation of the class object. Here a tuple.
def __repr__(self):
return repr((self.model, self.desc, self.exp_type, self.eq,
self.sites, self.year, self.params, self.params_nr))
-
-
-# Define function, to convert/insert 'No Rex' for R1rho off-resonance models,
and translates models which miss R1.
-def convert_no_rex(self_models=None):
- """Determine if any model in the list of all models should be replaced or
inserted as the correct 'No Rex' model.
-
- @keyword self_models: The list of all models analysed.
- @type self_models: list of str
- @return: The corrected all models list, flag if 'No Rex'
model for R1rho off-resonance was translated, flag if 'No Rex' model for R1rho
off-resonance was inserted.
- @rtype: list of str, bool, bool
- """
-
- # Flags to return.
- no_rex_translated = False
- no_rex_inserted = False
-
- # First check if 'No Rex' model should be converted to 'No Rex R1rho off
res' for R1rho off-resonance.
- # First remove 'R2eff' model from the list.
- self_models_rem_r2eff = filter(partial(ne, MODEL_R2EFF), self_models)
-
- # Then remove all 'No Rex' model.
- self_models_rem_r2eff_norex = filter(partial(ne, MODEL_NOREX),
self_models_rem_r2eff)
- self_models_rem_r2eff_norex = filter(partial(ne, MODEL_NOREX_R1RHO),
self_models_rem_r2eff_norex)
-
- # Then test if all or any models analysed is R1rho off-resonance models.
- all_r1rho_off_res = True
- any_r1rho_off_res = False
-
- # Define the model list which is R1rho off-resonance.
- model_list_r1rho_off_res = MODEL_LIST_R1RHO_OFF_RES
-
- # Loop through models.
- for i, model in enumerate(self_models_rem_r2eff_norex):
- if model in model_list_r1rho_off_res:
- any_r1rho_off_res = True
-
- else:
- all_r1rho_off_res = False
-
- # In case, only analysing 'R2eff' or 'No Rex'
- if len(self_models_rem_r2eff_norex) == 0:
- all_r1rho_off_res = False
-
- # Now either replace or insert MODEL_NOREX_R1RHO.
- # If all models is R1rho off resonance.
- if all_r1rho_off_res:
- # Then test if 'No Rex' is the only 'No Rex' model.
- if MODEL_NOREX in self_models and MODEL_NOREX_R1RHO not in self_models:
- # Then replace 'No Rex' with 'No Rex R1rho off res'
- no_rex_index = self_models.index(MODEL_NOREX)
- self_models[no_rex_index] = MODEL_NOREX_R1RHO
-
- # Change flag.
- no_rex_translated = True
-
- # If some of the models are R1rho off-resonance, and MODEL_NOREX is
present but MODEL_NOREX_R1RHO is not present.
- elif any_r1rho_off_res:
- # Then test if 'No Rex' is the only 'No Rex' model.
- if MODEL_NOREX in self_models and MODEL_NOREX_R1RHO not in self_models:
- # Then insert 'No Rex R1rho off res' after 'No Rex'.
- no_rex_index = self_models.index(MODEL_NOREX)
- self_models.insert(no_rex_index + 1, MODEL_NOREX_R1RHO)
-
- # Change flag.
- no_rex_inserted = True
-
- # Return the model.
- return self_models, no_rex_translated, no_rex_inserted
# Define function, to return model info.
Modified: trunk/specific_analyses/relax_disp/variables.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/variables.py?rev=25163&r1=25162&r2=25163&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/variables.py (original)
+++ trunk/specific_analyses/relax_disp/variables.py Thu Aug 21 14:52:20 2014
@@ -1,6 +1,6 @@
###############################################################################
# #
-# Copyright (C) 2004-2013 Edward d'Auvergne #
+# Copyright (C) 2004-2014 Edward d'Auvergne #
# Copyright (C) 2009 Sebastien Morin #
# Copyright (C) 2014 Troels E. Linnet #
# #
@@ -34,7 +34,6 @@
EXP_TYPE_CPMG_PROTON_MQ = '1H MQ CPMG'
EXP_TYPE_CPMG_MMQ = 'CPMG: SQ, DQ, MQ, ZQ, 1H SQ, 1H MQ'
EXP_TYPE_NOREX = 'No Rex'
-EXP_TYPE_NOREX_R1RHO = 'No Rex: R1rho off res'
EXP_TYPE_R1RHO = 'R1rho'
EXP_TYPE_R2EFF = 'R2eff/R1rho'
@@ -84,15 +83,6 @@
MODEL_SITES_NOREX = 1
MODEL_EQ_NOREX = EQ_ANALYTIC
-MODEL_NOREX_R1RHO = "No Rex R1rho off res"
-MODEL_DESC_NOREX_R1RHO = "The model for no chemical exchange relaxation, for
R1rho off resonance models."
-MODEL_PARAMS_NOREX_R1RHO = ['r2']
-# This year is fake. Just to get the order correct.
-MODEL_YEAR_NOREX_R1RHO = 1952
-MODEL_EXP_TYPE_NOREX_R1RHO = EXP_TYPE_NOREX_R1RHO
-MODEL_SITES_NOREX_R1RHO = 1
-MODEL_EQ_NOREX_R1RHO = EQ_ANALYTIC
-
MODEL_LM63 = 'LM63'
MODEL_DESC_LM63 = "The Luz and Meiboom (1963) 2-site fast exchange model for
SQ-CPMG experiments."
MODEL_PARAMS_LM63 = ['r2', 'phi_ex', 'kex']
@@ -368,12 +358,12 @@
"""The list of all dispersion models specifically for numeric R1rho-type
experiments which use R1 in their equations (excluding the R2eff model and
model 'No Rex')."""
#### All off-resonance R1rho models.
-MODEL_LIST_R1RHO_OFF_RES = [MODEL_NOREX_R1RHO] + MODEL_LIST_ANALYTIC_R1RHO +
MODEL_LIST_NUMERIC_R1RHO
+MODEL_LIST_R1RHO_OFF_RES = [MODEL_NOREX] + MODEL_LIST_ANALYTIC_R1RHO +
MODEL_LIST_NUMERIC_R1RHO
"""The list of all dispersion models specifically for R1rho-type experiments
which use R1 in their equations (excluding the R2eff model and model 'No
Rex')."""
### All R1rho models.
#### No Rex model + All R1rho models.
-MODEL_LIST_R1RHO = [MODEL_NOREX, MODEL_NOREX_R1RHO, MODEL_NOREX_R1RHO] +
MODEL_LIST_R1RHO_ON_RES + MODEL_LIST_ANALYTIC_R1RHO + MODEL_LIST_NUMERIC_R1RHO
+MODEL_LIST_R1RHO = [MODEL_NOREX] + MODEL_LIST_R1RHO_ON_RES +
MODEL_LIST_ANALYTIC_R1RHO + MODEL_LIST_NUMERIC_R1RHO
"""The list of all dispersion models specifically for R1rho-type experiments
(excluding the R2eff model)."""
MODEL_LIST_R1RHO_FULL = [MODEL_R2EFF] + MODEL_LIST_R1RHO
@@ -389,7 +379,7 @@
"""The list of all numeric models."""
# List of all models.
-MODEL_LIST_DISP = [MODEL_NOREX, MODEL_NOREX_R1RHO, MODEL_NOREX_R1RHO] +
MODEL_LIST_CPMG_ONLY + MODEL_LIST_R1RHO_ON_RES + MODEL_LIST_R1RHO_OFF_RES +
MODEL_LIST_MMQ
+MODEL_LIST_DISP = [MODEL_NOREX] + MODEL_LIST_CPMG_ONLY +
MODEL_LIST_R1RHO_ON_RES + MODEL_LIST_R1RHO_OFF_RES + MODEL_LIST_MMQ
"""The list of all dispersion models (excluding the R2eff model)."""
MODEL_LIST_FULL = [MODEL_R2EFF] + MODEL_LIST_DISP
@@ -409,7 +399,7 @@
"""Models using parameters with mixed dw, and has four variables. For example
with both dw_AB, dw_BC, dwH_AB and dwH_BC."""
# The models which currently support R1 fitting via target function switching.
-MODEL_LIST_FIT_R1 = [MODEL_NOREX_R1RHO, MODEL_DPL94, MODEL_TP02, MODEL_TAP03,
MODEL_MP05, MODEL_NS_R1RHO_2SITE]
+MODEL_LIST_FIT_R1 = [MODEL_NOREX, MODEL_DPL94, MODEL_TP02, MODEL_TAP03,
MODEL_MP05, MODEL_NS_R1RHO_2SITE]
# The defined models, which is used for nesting.
@@ -433,7 +423,6 @@
# Define order of nesting models for each model.
MODEL_NEST_R2EFF = None
MODEL_NEST_NOREX = None
-MODEL_NEST_NOREX_R1RHO = None
MODEL_NEST_LM63 = None
MODEL_NEST_LM63_3SITE = [MODEL_LM63]
MODEL_NEST_CR72 = MODEL_NEST_LIST_CPMG
@@ -466,7 +455,6 @@
MODEL_DESC = {
MODEL_R2EFF: MODEL_DESC_R2EFF,
MODEL_NOREX: MODEL_DESC_NOREX,
- MODEL_NOREX_R1RHO: MODEL_DESC_NOREX_R1RHO,
MODEL_LM63: MODEL_DESC_LM63,
MODEL_LM63_3SITE: MODEL_DESC_LM63_3SITE,
MODEL_CR72: MODEL_DESC_CR72,
@@ -499,7 +487,6 @@
MODEL_PARAMS = {
MODEL_R2EFF: MODEL_PARAMS_R2EFF,
MODEL_NOREX: MODEL_PARAMS_NOREX,
- MODEL_NOREX_R1RHO: MODEL_PARAMS_NOREX_R1RHO,
MODEL_LM63: MODEL_PARAMS_LM63,
MODEL_LM63_3SITE: MODEL_PARAMS_LM63_3SITE,
MODEL_CR72: MODEL_PARAMS_CR72,
@@ -532,7 +519,6 @@
MODEL_YEAR = {
MODEL_R2EFF: MODEL_YEAR_R2EFF,
MODEL_NOREX: MODEL_YEAR_NOREX,
- MODEL_NOREX_R1RHO: MODEL_YEAR_NOREX_R1RHO,
MODEL_LM63: MODEL_YEAR_LM63,
MODEL_LM63_3SITE: MODEL_YEAR_LM63_3SITE,
MODEL_CR72: MODEL_YEAR_CR72,
@@ -565,7 +551,6 @@
MODEL_EXP_TYPE = {
MODEL_R2EFF: MODEL_EXP_TYPE_R2EFF,
MODEL_NOREX: MODEL_EXP_TYPE_NOREX,
- MODEL_NOREX_R1RHO: MODEL_EXP_TYPE_NOREX_R1RHO,
MODEL_LM63: MODEL_EXP_TYPE_LM63,
MODEL_LM63_3SITE: MODEL_EXP_TYPE_LM63_3SITE,
MODEL_CR72: MODEL_EXP_TYPE_CR72,
@@ -598,7 +583,6 @@
MODEL_SITES = {
MODEL_R2EFF: MODEL_SITES_R2EFF,
MODEL_NOREX: MODEL_SITES_NOREX,
- MODEL_NOREX_R1RHO: MODEL_SITES_NOREX_R1RHO,
MODEL_LM63: MODEL_SITES_LM63,
MODEL_LM63_3SITE: MODEL_SITES_LM63_3SITE,
MODEL_CR72: MODEL_SITES_CR72,
@@ -631,7 +615,6 @@
MODEL_EQ = {
MODEL_R2EFF: MODEL_EQ_R2EFF,
MODEL_NOREX: MODEL_EQ_NOREX,
- MODEL_NOREX_R1RHO: MODEL_EQ_NOREX_R1RHO,
MODEL_LM63: MODEL_EQ_LM63,
MODEL_LM63_3SITE: MODEL_EQ_LM63_3SITE,
MODEL_CR72: MODEL_EQ_CR72,
@@ -664,7 +647,6 @@
MODEL_NEST = {
MODEL_R2EFF: MODEL_NEST_R2EFF,
MODEL_NOREX: MODEL_NEST_NOREX,
- MODEL_NOREX_R1RHO: MODEL_NEST_NOREX_R1RHO,
MODEL_LM63: MODEL_NEST_LM63,
MODEL_LM63_3SITE: MODEL_NEST_LM63_3SITE,
MODEL_CR72: MODEL_NEST_CR72,
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-commits mailing list
[email protected]
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-commits