Author: tlinnet
Date: Thu May 1 09:17:40 2014
New Revision: 22900
URL: http://svn.gna.org/viewcvs/relax?rev=22900&view=rev
Log:
Added B14 description to the relax_disp.select_model user function front end.
sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014)
B14 model - 2-site exact solution model for all time scales.
Modified:
trunk/user_functions/relax_disp.py
Modified: trunk/user_functions/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/user_functions/relax_disp.py?rev=22900&r1=22899&r2=22900&view=diff
==============================================================================
--- trunk/user_functions/relax_disp.py (original)
+++ trunk/user_functions/relax_disp.py Thu May 1 09:17:40 2014
@@ -2,6 +2,7 @@
#
#
# Copyright (C) 2004-2014 Edward d'Auvergne
#
# Copyright (C) 2009 Sebastien Morin
#
+# Copyright (C) 2014 Troels E. Linnet
#
#
#
# This file is part of the program relax (http://www.nmr-relax.com).
#
#
#
@@ -42,7 +43,7 @@
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_DQ,
EXP_TYPE_CPMG_MQ, EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_ZQ,
EXP_TYPE_CPMG_PROTON_MQ, EXP_TYPE_CPMG_PROTON_SQ, EXP_TYPE_R1RHO, MODEL_CR72,
MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LM63, MODEL_LM63_3SITE,
MODEL_M61, MODEL_M61B, MODEL_MMQ_CR72, MODEL_MP05, 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_R2EFF, MODEL_TAP03, MODEL_TP02,
MODEL_TSMFK01
+from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_DQ,
EXP_TYPE_CPMG_MQ, EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_ZQ,
EXP_TYPE_CPMG_PROTON_MQ, EXP_TYPE_CPMG_PROTON_SQ, EXP_TYPE_R1RHO, MODEL_B14,
MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LM63,
MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MMQ_CR72, MODEL_MP05,
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_R2EFF, MODEL_TAP03, MODEL_TP02,
MODEL_TSMFK01
from specific_analyses.relax_disp import uf as relax_disp_uf
from user_functions.data import Uf_info; uf_info = Uf_info()
from user_functions.objects import Desc_container
@@ -801,6 +802,7 @@
"%s: {%s, ...}" % (MODEL_NOREX, r2),
"%s: {%s, ..., %s, %s}" % (MODEL_LM63, r2, phi_ex, kex),
"%s: {%s, ..., %s, kB, %s, kC}" % (MODEL_LM63_3SITE, r2, phi_exB,
phi_exC),
+ "%s: {%s, %s, ..., pA, %s, %s}" % (MODEL_B14, r2a, r2b, dw, kex),
"%s: {%s, ..., pA, %s, %s}" % (MODEL_CR72, r2, dw, kex),
"%s: {%s, %s, ..., pA, %s, %s}" % (MODEL_CR72_FULL, r2a, r2b, dw,
kex),
"%s: {%s, ..., pA, %s, %s}" % (MODEL_IT99, r2, dw, kex),
@@ -829,6 +831,7 @@
MODEL_NOREX,
MODEL_LM63,
MODEL_LM63_3SITE,
+ MODEL_B14,
MODEL_CR72,
MODEL_CR72_FULL,
MODEL_IT99,
@@ -864,6 +867,7 @@
uf.desc[-1].add_paragraph("The currently supported analytic models are:")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_LM63, "The original Luz and
Meiboom (1963) 2-site fast exchange equation with parameters {R20, ...,
phi_ex, kex},")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_LM63_3SITE, "The original
Luz and Meiboom (1963) 3-site fast exchange equation with parameters {R20,
..., phi_ex, kex, phi_ex2, kex2},")
+uf.desc[-1].add_item_list_element("'%s'" % MODEL_B14, "The Baldwin (2014)
2-site exact solution model for all time scales with parameters {R20A, R20B,
..., pA, dw, kex},")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_CR72, "The reduced Carver
and Richards (1972) 2-site equation for most time scales whereby the
simplification R20A = R20B is assumed. The parameters are {R20, ..., pA, dw,
kex},")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_CR72_FULL, "The full Carver
and Richards (1972) 2-site equation for most time scales with parameters
{R20A, R20B, ..., pA, dw, kex},")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_IT99, "The Ishima and
Torchia (1999) 2-site model for all time scales with pA >> pB and with
parameters {R20, ..., pA, dw, kex},")
r22900 - /trunk/user_functions/relax_disp.py