Author: bugman
Date: Sat Nov 16 17:12:34 2013
New Revision: 21460
URL: http://svn.gna.org/viewcvs/relax?rev=21460&view=rev
Log:
Added the 'MP05' model to the relax_disp.select_model user function frontend.
This is the Miloushev and Palmer 2005 R1rho analytic model for 2-site
off-resonance exchange.
This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#The_relax_disp.select_model_user_function_front_end
Modified:
branches/relax_disp/user_functions/relax_disp.py
Modified: branches/relax_disp/user_functions/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/user_functions/relax_disp.py?rev=21460&r1=21459&r2=21460&view=diff
==============================================================================
--- branches/relax_disp/user_functions/relax_disp.py (original)
+++ branches/relax_disp/user_functions/relax_disp.py Sat Nov 16 17:12:34 2013
@@ -42,7 +42,7 @@
from specific_analyses.relax_disp.nessy import nessy_input
from specific_analyses.relax_disp.parameters import copy
from specific_analyses.relax_disp.sherekhan import sherekhan_input
-from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG,
EXP_TYPE_DQ_CPMG, EXP_TYPE_MQ_CPMG, EXP_TYPE_MQ_R1RHO, EXP_TYPE_R1RHO,
EXP_TYPE_ZQ_CPMG, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99,
MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MMQ_2SITE,
MODEL_MQ_CR72, MODEL_NOREX, MODEL_R2EFF, 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_TP02, MODEL_TSMFK01
+from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG,
EXP_TYPE_DQ_CPMG, EXP_TYPE_MQ_CPMG, EXP_TYPE_MQ_R1RHO, EXP_TYPE_R1RHO,
EXP_TYPE_ZQ_CPMG, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99,
MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MMQ_2SITE,
MODEL_MP05, MODEL_MQ_CR72, MODEL_NOREX, MODEL_R2EFF, 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_TP02, MODEL_TSMFK01
from specific_analyses.setup import relax_disp_obj
from user_functions.data import Uf_info; uf_info = Uf_info()
from user_functions.objects import Desc_container
@@ -779,6 +779,7 @@
"%s: {%s, ..., pA, %s, %s}" % (MODEL_M61B, r1rho_prime, dw, kex),
"%s: {%s, ..., %s, %s}" % (MODEL_DPL94, r1rho_prime, phi_ex, kex),
"%s: {%s, ..., pA, %s, %s}" % (MODEL_TP02, r1rho_prime, dw, kex),
+ "%s: {%s, ..., pA, %s, %s}" % (MODEL_MP05, r1rho_prime, dw, kex),
"%s: {%s, ..., pA, %s, %s}" % (MODEL_NS_R1RHO_2SITE, r1rho_prime,
dw, kex),
"%s: {%s, ..., pA, %s, %s, %s}" % (MODEL_MQ_CR72, r2, dw, dwH, kex),
"%s: {%s, ..., pA, %s, %s, %s}" % (MODEL_MMQ_2SITE, r2, dw, dwH, kex)
@@ -801,6 +802,7 @@
MODEL_M61B,
MODEL_DPL94,
MODEL_TP02,
+ MODEL_MP05,
MODEL_NS_R1RHO_2SITE,
MODEL_MQ_CR72,
MODEL_MMQ_2SITE
@@ -834,6 +836,7 @@
uf.desc[-1].add_item_list_element("'%s'" % MODEL_M61B, "The Meiboom (1961)
2-site equation for all time scales with pA >> pB and with parameters
{R1rho', ..., pA, dw, kex},")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_DPL94, "The Davis, Perlman
and London (1994) 2-site fast exchange equation with parameters {R1rho', ...,
phi_ex, kex},")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_TP02, "The Trott and Palmer
(2002) 2-site equation for all time scales with parameters {R1rho', ..., pA,
dw, kex}.")
+uf.desc[-1].add_item_list_element("'%s'" % MODEL_MP05, "The Miloushev and
Palmer (2005) 2-site off-resonance equation for all time scales with
parameters {R1rho', ..., pA, dw, kex}.")
uf.desc[-1].add_paragraph("The currently supported numeric models are:")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_R1RHO_2SITE, "The
numerical solution for the 2-site Bloch-McConnell equations using 3D
magnetisation vectors. Its parameters are {R1rho', ..., pA, dw, kex}.")
# MQ CPMG-type data.
r21460 - /branches/relax_disp/user_functions/relax_disp.py