Author: bugman
Date: Mon Dec 9 11:25:42 2013
New Revision: 21888
URL: http://svn.gna.org/viewcvs/relax?rev=21888&view=rev
Log:
Changed the order of the experiment types in the relax_disp.select_model user
function frontend.
The R1rho-type models have been shifted to the end so that the MMQ CPMG-type
models are just after
the SQ CPMG-type models.
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=21888&r1=21887&r2=21888&view=diff
==============================================================================
--- trunk/user_functions/relax_disp.py (original)
+++ trunk/user_functions/relax_disp.py Mon Dec 9 11:25:42 2013
@@ -810,6 +810,10 @@
"%s: {%s, ..., pA, %s, %s}" % (MODEL_NS_CPMG_2SITE_STAR, r2, dw,
kex),
"%s: {%s, %s, ..., pA, %s, %s}" % (MODEL_NS_CPMG_2SITE_STAR_FULL,
r2a, r2b, dw, kex),
"%s: {%s, ..., pA, %s, %s}" % (MODEL_NS_CPMG_2SITE_EXPANDED, r2, dw,
kex),
+ "%s: {%s, ..., pA, %s, %s, %s}" % (MODEL_MMQ_CR72, r2, dw, dwH, kex),
+ "%s: {%s, ..., pA, %s, %s, %s}" % (MODEL_NS_MMQ_2SITE, r2, dw, dwH,
kex),
+ "%s: {%s, ..., pA, %s, %s, %s, pB, %s, %s, %s}" %
(MODEL_NS_MMQ_3SITE_LINEAR, r2, dw_AB, dwH_AB, kAB, dw_BC, dwH_BC, kBC),
+ "%s: {%s, ..., pA, %s, %s, %s, pB, %s, %s, %s, %s}" %
(MODEL_NS_MMQ_3SITE, r2, dw_AB, dwH_AB, kAB, dw_BC, dwH_BC, kBC, kAC),
"%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),
@@ -818,11 +822,7 @@
"%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, 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),
- "%s: {%s, ..., pA, %s, %s, %s}" % (MODEL_MMQ_CR72, r2, dw, dwH, kex),
- "%s: {%s, ..., pA, %s, %s, %s}" % (MODEL_NS_MMQ_2SITE, r2, dw, dwH,
kex),
- "%s: {%s, ..., pA, %s, %s, %s, pB, %s, %s, %s}" %
(MODEL_NS_MMQ_3SITE_LINEAR, r2, dw_AB, dwH_AB, kAB, dw_BC, dwH_BC, kBC),
- "%s: {%s, ..., pA, %s, %s, %s, pB, %s, %s, %s, %s}" %
(MODEL_NS_MMQ_3SITE, r2, dw_AB, dwH_AB, kAB, dw_BC, dwH_BC, kBC, kAC)
+ "%s: {%s, ..., pA, %s, %s, pB, %s, %s, %s}" % (MODEL_NS_R1RHO_3SITE,
r2, dw_AB, kAB, dw_BC, kBC, kAC)
],
wiz_combo_data = [
MODEL_R2EFF,
@@ -838,6 +838,10 @@
MODEL_NS_CPMG_2SITE_STAR,
MODEL_NS_CPMG_2SITE_STAR_FULL,
MODEL_NS_CPMG_2SITE_EXPANDED,
+ MODEL_MMQ_CR72,
+ MODEL_NS_MMQ_2SITE,
+ MODEL_NS_MMQ_3SITE_LINEAR,
+ MODEL_NS_MMQ_3SITE,
MODEL_M61,
MODEL_M61B,
MODEL_DPL94,
@@ -846,11 +850,7 @@
MODEL_MP05,
MODEL_NS_R1RHO_2SITE,
MODEL_NS_R1RHO_3SITE_LINEAR,
- MODEL_NS_R1RHO_3SITE,
- MODEL_MMQ_CR72,
- MODEL_NS_MMQ_2SITE,
- MODEL_NS_MMQ_3SITE_LINEAR,
- MODEL_NS_MMQ_3SITE
+ MODEL_NS_R1RHO_3SITE
],
wiz_read_only = True
)
@@ -874,6 +874,13 @@
uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_CPMG_2SITE_STAR, "The
reduced numerical solution for the 2-site Bloch-McConnell equations using
complex conjugate matrices whereby the simplification R20A = R20B is assumed.
It has the parameters {R20, ..., pA, dw, kex},")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_CPMG_2SITE_STAR_FULL,
"The full numerical solution for the 2-site Bloch-McConnell equations using
complex conjugate matrices with parameters {R20A, R20B, ..., pA, dw, kex},")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_CPMG_2SITE_EXPANDED,
"The numerical solution for the 2-site Bloch-McConnell equations expanded
using Maple by Nikolai Skrynnikov. It has the parameters {R20, ..., pA, dw,
kex}.")
+# MMQ CPMG-type data.
+uf.desc.append(Desc_container('The MMQ CPMG-type experiments'))
+uf.desc[-1].add_paragraph("The currently supported models are:")
+uf.desc[-1].add_item_list_element("'%s'" % MODEL_MMQ_CR72, "The the Carver
and Richards (1972) 2-site model for most time scales expanded for MMQ CPMG
data by Korzhnev et al., 2004, whereby the simplification R20A = R20B is
assumed. Its parameters are {R20, ..., pA, dw, dwH, kex}.")
+uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_MMQ_2SITE, "The
numerical solution for the 2-site Bloch-McConnell equations for combined
proton-heteronuclear SQ, ZQ, DQ, and MQ CPMG data whereby the simplification
R20A = R20B is assumed. Its parameters are {R20, ..., pA, dw, dwH, kex}.")
+uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_MMQ_3SITE_LINEAR, "The
numerical solution for the 3-site Bloch-McConnell equations linearised with
kAC = kCA = 0 for combined proton-heteronuclear SQ, ZQ, DQ, and MQ CPMG data
whereby the simplification R20A = R20B = R20C is assumed. Its parameters are
{R20, ..., pA, dw(AB), dwH(AB), kex(AB), pB, dw(BC), dwH(BC), kex(BC)}.")
+uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_MMQ_3SITE, "The
numerical solution for the 3-site Bloch-McConnell equations for combined
proton-heteronuclear SQ, ZQ, DQ, and MQ CPMG data whereby the simplification
R20A = R20B = R20C is assumed. Its parameters are {R20, ..., pA, dw(AB),
dwH(AB), kex(AB), pB, dw(BC), dwH(BC), kex(BC), kex(AC)}.")
# R1rho-type data.
uf.desc.append(Desc_container('The R1rho-type experiments'))
uf.desc[-1].add_paragraph("The currently supported analytic models are:")
@@ -887,13 +894,6 @@
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 = 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_LINEAR, "The
numerical solution for the 3-site Bloch-McConnell equations using 3D
magnetisation vectors whereby the simplification R20A = R20B = R20C is
assumed. Its parameters are {R1rho', ..., pA, dw, kex}.")
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)}.")
-# MQ CPMG-type data.
-uf.desc.append(Desc_container('The MQ CPMG-type experiments'))
-uf.desc[-1].add_paragraph("The currently supported models are:")
-uf.desc[-1].add_item_list_element("'%s'" % MODEL_MMQ_CR72, "The the Carver
and Richards (1972) 2-site model for most time scales expanded for MMQ CPMG
data by Korzhnev et al., 2004, whereby the simplification R20A = R20B is
assumed. Its parameters are {R20, ..., pA, dw, dwH, kex}.")
-uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_MMQ_2SITE, "The
numerical solution for the 2-site Bloch-McConnell equations for combined
proton-heteronuclear SQ, ZQ, DQ, and MQ CPMG data whereby the simplification
R20A = R20B is assumed. Its parameters are {R20, ..., pA, dw, dwH, kex}.")
-uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_MMQ_3SITE_LINEAR, "The
numerical solution for the 3-site Bloch-McConnell equations linearised with
kAC = kCA = 0 for combined proton-heteronuclear SQ, ZQ, DQ, and MQ CPMG data
whereby the simplification R20A = R20B = R20C is assumed. Its parameters are
{R20, ..., pA, dw(AB), dwH(AB), kex(AB), pB, dw(BC), dwH(BC), kex(BC)}.")
-uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_MMQ_3SITE, "The
numerical solution for the 3-site Bloch-McConnell equations for combined
proton-heteronuclear SQ, ZQ, DQ, and MQ CPMG data whereby the simplification
R20A = R20B = R20C is assumed. Its parameters are {R20, ..., pA, dw(AB),
dwH(AB), kex(AB), pB, dw(BC), dwH(BC), kex(BC), kex(AC)}.")
# Prompt examples.
uf.desc.append(Desc_container("Prompt examples"))
uf.desc[-1].add_paragraph("To pick the 2-site fast exchange model for all
selected spins, type one of:")
r21888 - /trunk/user_functions/relax_disp.py