Author: bugman
Date: Thu Aug 21 09:57:09 2014
New Revision: 25136
URL: http://svn.gna.org/viewcvs/relax?rev=25136&view=rev
Log:
Removed all of the '* R1 fit' models out of the relax_disp.select_model user
function frontend.
These models are now redundant as the question of R1 fitting is now
determined internally in relax.
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=25136&r1=25135&r2=25136&view=diff
==============================================================================
--- trunk/user_functions/relax_disp.py (original)
+++ trunk/user_functions/relax_disp.py Thu Aug 21 09:57:09 2014
@@ -44,7 +44,7 @@
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_B14,
MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_DPL94_FIT_R1,
MODEL_IT99, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B,
MODEL_MMQ_CR72, MODEL_MP05, MODEL_MP05_FIT_R1, MODEL_NOREX,
MODEL_NOREX_R1RHO, MODEL_NOREX_R1RHO_FIT_R1, 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_2SITE_FIT_R1, MODEL_NS_R1RHO_3SITE,
MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_R2EFF, MODEL_TAP03, MODEL_TAP03_FIT_R1,
MODEL_TP02, MODEL_TP02_FIT_R1, 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_B14_FULL, 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_NOREX_R1RHO, 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
@@ -884,7 +884,6 @@
"%s: {%s/%s, %s}" % (MODEL_R2EFF, r2eff, r1rho, i0),
"%s: {%s, ...}" % (MODEL_NOREX, r2),
"%s: {%s, ...}" % (MODEL_NOREX_R1RHO, r2),
- "%s: {%s, %s, ...}" % (MODEL_NOREX_R1RHO_FIT_R1, r1, 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, ..., pA, %s, %s}" % (MODEL_CR72, r2, dw, kex),
@@ -905,15 +904,10 @@
"%s: {%s, ..., %s, %s}" % (MODEL_M61, r1rho_prime, phi_ex, kex),
"%s: {%s, ..., pA, %s, %s}" % (MODEL_M61B, r1rho_prime, dw, kex),
"%s: {%s, ..., %s, %s}" % (MODEL_DPL94, r1rho_prime, phi_ex, kex),
- "%s: {%s, %s, ..., %s, %s}" % (MODEL_DPL94_FIT_R1, r1, r1rho_prime,
phi_ex, kex),
"%s: {%s, ..., pA, %s, %s}" % (MODEL_TP02, r1rho_prime, dw, kex),
- "%s: {%s, %s, ..., pA, %s, %s}" % (MODEL_TP02_FIT_R1, r1,
r1rho_prime, dw, kex),
"%s: {%s, ..., pA, %s, %s}" % (MODEL_TAP03, r1rho_prime, dw, kex),
- "%s: {%s, %s, ..., pA, %s, %s}" % (MODEL_TAP03_FIT_R1, r1,
r1rho_prime, dw, kex),
"%s: {%s, ..., pA, %s, %s}" % (MODEL_MP05, r1rho_prime, dw, kex),
- "%s: {%s, %s, ..., pA, %s, %s}" % (MODEL_MP05_FIT_R1, r1,
r1rho_prime, dw, kex),
"%s: {%s, ..., pA, %s, %s}" % (MODEL_NS_R1RHO_2SITE, r1rho_prime,
dw, kex),
- "%s: {%s, %s, ..., pA, %s, %s}" % (MODEL_NS_R1RHO_2SITE_FIT_R1, r1,
r1rho_prime, dw, kex),
"%s: {%s, ..., pA, %s, %s, pB, %s, %s}" %
(MODEL_NS_R1RHO_3SITE_LINEAR, r2, dw_AB, kAB, dw_BC, kBC),
"%s: {%s, ..., pA, %s, %s, pB, %s, %s, %s}" % (MODEL_NS_R1RHO_3SITE,
r2, dw_AB, kAB, dw_BC, kBC, kAC)
],
@@ -921,7 +915,6 @@
MODEL_R2EFF,
MODEL_NOREX,
MODEL_NOREX_R1RHO,
- MODEL_NOREX_R1RHO_FIT_R1,
MODEL_LM63,
MODEL_LM63_3SITE,
MODEL_CR72,
@@ -942,15 +935,10 @@
MODEL_M61,
MODEL_M61B,
MODEL_DPL94,
- MODEL_DPL94_FIT_R1,
MODEL_TP02,
- MODEL_TP02_FIT_R1,
MODEL_TAP03,
- MODEL_TAP03_FIT_R1,
MODEL_MP05,
- MODEL_MP05_FIT_R1,
MODEL_NS_R1RHO_2SITE,
- MODEL_NS_R1RHO_2SITE_FIT_R1,
MODEL_NS_R1RHO_3SITE_LINEAR,
MODEL_NS_R1RHO_3SITE
],
@@ -963,7 +951,6 @@
uf.desc.append(Desc_container('The no chemical exchange models'))
uf.desc[-1].add_item_list_element("'%s'" % MODEL_NOREX, "This is the model
for no chemical exchange being present.")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_NOREX_R1RHO, "This is the
model for no chemical exchange being present, for off-resonance R1rho-type
experiments. R1rho = R1 * cos(theta)^2 + r1rho_prime * sin(theta)^2")
-uf.desc[-1].add_item_list_element("'%s'" % MODEL_NOREX_R1RHO_FIT_R1, "This
is the model for no chemical exchange being present, for off-resonance
R1rho-type experiments whereby R1 is fit. R1rho = R1 * cos(theta)^2 +
r1rho_prime * sin(theta)^2")
# CPMG-type data.
uf.desc.append(Desc_container('The SQ CPMG-type experiments'))
uf.desc[-1].add_paragraph("The currently supported analytic models are:")
@@ -996,16 +983,11 @@
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_paragraph("Off-resonance models are:")
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_DPL94_FIT_R1, "The Davis,
Perlman and London (1994) 2-site fast exchange equation, whereby R1 is fit,
with parameters {R1rho', R1, ..., 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_TP02_FIT_R1, "The Trott and
Palmer (2002) 2-site equation for all time scales, whereby R1 is fit, with
parameters {R1rho', R1, ..., pA, dw, kex}.")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_TAP03, "The Trott, Abergel
and Palmer (2003) off-resonance 2-site equation for all time scales with
parameters {R1rho', ..., pA, dw, kex}.")
-uf.desc[-1].add_item_list_element("'%s'" % MODEL_TAP03_FIT_R1, "The Trott,
Abergel and Palmer (2003) off-resonance 2-site equation for all time scales,
whereby R1 is fit, with parameters {R1rho', R1, ..., 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_item_list_element("'%s'" % MODEL_MP05_FIT_R1, "The Miloushev
and Palmer (2005) 2-site off-resonance equation for all time scales, whereby
R1 is fit, with parameters {R1rho', R1, ..., 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 whereby the simplification R20A = R20B. Its parameters
are {R1rho', ..., pA, dw, kex}.")
-uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_R1RHO_2SITE_FIT_R1, "The
numerical solution for the 2-site Bloch-McConnell equations using 3D
magnetisation vectors whereby the simplification R20A = R20B and whereby R1
is fit. Its parameters are {R1rho', R1, ..., pA, dw, kex}.")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_R1RHO_3SITE_LINEAR, "The
numerical solution for the 3-site Bloch-McConnell equations using 3D
magnetisation vectors whereby the simplification R20A = R20B = R20C is
assumed and linearised with kAC = kCA = 0. Its parameters are {R1rho', ...,
pA, dw(AB), kex(AB), pB, dw(BC), kex(BC)}.")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_R1RHO_3SITE, "The
numerical solution for the 3-site Bloch-McConnell equations using 3D
magnetisation vectors. Its parameters are {R1rho', ..., pA, dw(AB), kex(AB),
pB, dw(BC), kex(BC), kex(AC)}.")
# Prompt examples.
r25136 - /trunk/user_functions/relax_disp.py