Author: tlinnet
Date: Mon Aug 11 09:09:28 2014
New Revision: 24982
URL: http://svn.gna.org/viewcvs/relax?rev=24982&view=rev
Log:
Added model meta information about number of chemical exchange sites.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation
rate for the off-resonance R1rho relaxation dispersion models.
Modified:
branches/R1_fitting/specific_analyses/relax_disp/variables.py
branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py
Modified: branches/R1_fitting/specific_analyses/relax_disp/variables.py
URL:
http://svn.gna.org/viewcvs/relax/branches/R1_fitting/specific_analyses/relax_disp/variables.py?rev=24982&r1=24981&r2=24982&view=diff
==============================================================================
--- branches/R1_fitting/specific_analyses/relax_disp/variables.py
(original)
+++ branches/R1_fitting/specific_analyses/relax_disp/variables.py Mon
Aug 11 09:09:28 2014
@@ -66,6 +66,7 @@
# This year is fake. Just to get the order correct.
MODEL_YEAR_R2EFF = 1950
MODEL_EXP_TYPE_R2EFF = EXP_TYPE_R2EFF
+MODEL_SITES_R2EFF = None
MODEL_NOREX = 'No Rex'
MODEL_DESC_NOREX = "The model for no chemical exchange relaxation."
@@ -73,6 +74,7 @@
# This year is fake. Just to get the order correct.
MODEL_YEAR_NOREX = 1951
MODEL_EXP_TYPE_NOREX = EXP_TYPE_NOREX
+MODEL_SITES_NOREX = 1
MODEL_NOREX_R1RHO = "No_Rex_R1rho_off_res"
MODEL_DESC_NOREX_R1RHO = "The model for no chemical exchange relaxation,
for R1rho off resonance models."
@@ -80,6 +82,7 @@
# 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_NOREX_R1RHO_FIT_R1 = "%s_fit_r1"%MODEL_NOREX_R1RHO
MODEL_DESC_NOREX_R1RHO_FIT_R1 = "The model for no chemical exchange
relaxation, for R1rho off resonance models, where R1 is fitted."
@@ -87,66 +90,77 @@
# This year is fake. Just to get the order correct.
MODEL_YEAR_NOREX_R1RHO_FIT_R1 = 1953
MODEL_EXP_TYPE_NOREX_R1RHO_FIT_R1 = EXP_TYPE_NOREX_R1RHO
+MODEL_SITES_NOREX_R1RHO_FIT_R1 = 1
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']
MODEL_YEAR_LM63 = 1963
MODEL_EXP_TYPE_LM63 = EXP_TYPE_CPMG_SQ
+MODEL_SITES_LM63 = 2
MODEL_LM63_3SITE = 'LM63 3-site'
MODEL_DESC_LM63_3SITE = "The Luz and Meiboom (1963) 3-site fast exchange
model for SQ-CPMG experiments."
MODEL_PARAMS_LM63_3SITE = ['r2', 'phi_ex_B', 'phi_ex_C', 'kB', 'kC']
MODEL_YEAR_LM63_3SITE = 1963
MODEL_EXP_TYPE_LM63_3SITE = EXP_TYPE_CPMG_SQ
+MODEL_SITES_LM63_3SITE = 3
MODEL_CR72 = 'CR72'
MODEL_DESC_CR72 = "The reduced Carver and Richards (1972) 2-site model for
all time scales for SQ-CPMG experiments, whereby the simplification R20A =
R20B is assumed."
MODEL_PARAMS_CR72 = ['r2', 'pA', 'dw', 'kex']
MODEL_YEAR_CR72 = 1972
MODEL_EXP_TYPE_CR72 = EXP_TYPE_CPMG_SQ
+MODEL_SITES_CR72 = 2
MODEL_CR72_FULL = 'CR72 full'
MODEL_DESC_CR72_FULL = "The full Carver and Richards (1972) 2-site model
for all time scales for SQ-CPMG experiments."
MODEL_PARAMS_CR72_FULL = ['r2a', 'r2b', 'pA', 'dw', 'kex']
MODEL_YEAR_CR72_FULL = 1972
MODEL_EXP_TYPE_CR72_FULL = EXP_TYPE_CPMG_SQ
+MODEL_SITES_CR72_FULL = 2
MODEL_IT99 = 'IT99'
MODEL_DESC_IT99 = "The Ishima and Torchia (1999) 2-site CPMG model for all
time scales for SQ-CPMG experiments, with skewed populations (pA >> pB)."
MODEL_PARAMS_IT99 = ['r2', 'pA', 'dw', 'tex']
MODEL_YEAR_IT99 = 1999
MODEL_EXP_TYPE_IT99 = EXP_TYPE_CPMG_SQ
+MODEL_SITES_IT99 = 2
MODEL_TSMFK01 = 'TSMFK01'
MODEL_DESC_TSMFK01 = "The Tollinger et al. (2001) 2-site very-slow
exchange model for SQ-CPMG experiments."
MODEL_PARAMS_TSMFK01 = ['r2a', 'dw', 'k_AB']
MODEL_YEAR_TSMFK01 = 2001
MODEL_EXP_TYPE_TSMFK01 = EXP_TYPE_CPMG_SQ
+MODEL_SITES_TSMFK01 = 2
MODEL_B14 = 'B14'
MODEL_DESC_B14 = "The Baldwin (2014) 2-site CPMG exact solution model for
all time scales for SQ-CPMG experiments, whereby the simplification R20A =
R20B is assumed."
MODEL_PARAMS_B14 = ['r2', 'pA', 'dw', 'kex']
MODEL_YEAR_B14 = 2014
MODEL_EXP_TYPE_B14 = EXP_TYPE_CPMG_SQ
+MODEL_SITES_B14 = 2
MODEL_B14_FULL = 'B14 full'
MODEL_DESC_B14_FULL = "The Baldwin (2014) 2-site CPMG exact solution model
for all time scales for SQ-CPMG experiments."
MODEL_PARAMS_B14_FULL = ['r2a', 'r2b', 'pA', 'dw', 'kex']
MODEL_YEAR_B14_FULL = 2014
MODEL_EXP_TYPE_B14_FULL = EXP_TYPE_CPMG_SQ
+MODEL_SITES_B14_FULL = 2
MODEL_M61 = 'M61'
MODEL_DESC_M61 = "The Meiboom (1961) on-resonance 2-site fast exchange
model for R1rho-type experiments."
MODEL_PARAMS_M61 = ['r2', 'phi_ex', 'kex']
MODEL_YEAR_M61 = 1961
MODEL_EXP_TYPE_M61 = EXP_TYPE_R1RHO
+MODEL_SITES_M61 = 2
MODEL_M61B = 'M61 skew'
MODEL_DESC_M61B = "The Meiboom (1961) on-resonance 2-site model for
R1rho-type experiments, with skewed populations (pA >> pB)."
MODEL_PARAMS_M61B = ['r2', 'pA', 'dw', 'kex']
MODEL_YEAR_M61B = 1961
MODEL_EXP_TYPE_M61B = EXP_TYPE_R1RHO
+MODEL_SITES_M61B = 2
MODEL_DPL94 = 'DPL94'
"""The R1rho 2-site fast exchange model of Davis, Perlman and London
(1994)."""
@@ -154,6 +168,7 @@
MODEL_PARAMS_DPL94 = ['r2', 'phi_ex', 'kex']
MODEL_YEAR_DPL94 = 1994
MODEL_EXP_TYPE_DPL94 = EXP_TYPE_R1RHO
+MODEL_SITES_DPL94 = 2
MODEL_DPL94_FIT_R1 = "%s_fit_r1"%MODEL_DPL94
"""The R1rho 2-site fast exchange model of Davis, Perlman and London
(1994), where R1 is fitted."""
@@ -161,30 +176,35 @@
MODEL_PARAMS_DPL94_FIT_R1 = ['r1_fit', 'r2', 'phi_ex', 'kex']
MODEL_YEAR_DPL94_FIT_R1 = 1994
MODEL_EXP_TYPE_DPL94_FIT_R1 = EXP_TYPE_R1RHO
+MODEL_SITES_DPL94_FIT_R1 = 2
MODEL_TP02 = 'TP02'
MODEL_DESC_TP02 = "The Trott and Palmer (2002) off-resonance 2-site model
for R1rho-type experiments."
MODEL_PARAMS_TP02 = ['r2', 'pA', 'dw', 'kex']
MODEL_YEAR_TP02 = 2002
MODEL_EXP_TYPE_TP02 = EXP_TYPE_R1RHO
+MODEL_SITES_TP02 = 2
MODEL_TP02_FIT_R1 = "%s_fit_r1"%MODEL_TP02
MODEL_DESC_TP02_FIT_R1 = "The Trott and Palmer (2002) off-resonance 2-site
model for R1rho-type experiments, where R1 is fitted."
MODEL_PARAMS_TP02_FIT_R1 = ['r1_fit', 'r2', 'pA', 'dw', 'kex']
MODEL_YEAR_TP02_FIT_R1 = 2002
MODEL_EXP_TYPE_TP02_FIT_R1 = EXP_TYPE_R1RHO
+MODEL_SITES_TP02_FIT_R1 = 2
MODEL_TAP03 = 'TAP03'
MODEL_DESC_TAP03 = "The Trott, Abergel and Palmer (2003) off-resonance
2-site model for R1rho-type experiments."
MODEL_PARAMS_TAP03 = ['r2', 'pA', 'dw', 'kex']
MODEL_YEAR_TAP03 = 2003
MODEL_EXP_TYPE_TAP03 = EXP_TYPE_R1RHO
+MODEL_SITES_TAP03 = 2
MODEL_TAP03_FIT_R1 = "%s_fit_r1"%MODEL_TAP03
MODEL_DESC_TAP03_FIT_R1 = "The Trott, Abergel and Palmer (2003)
off-resonance 2-site model for R1rho-type experiments, where R1 is fitted."
MODEL_PARAMS_TAP03_FIT_R1 = ['r1_fit', 'r2', 'pA', 'dw', 'kex']
MODEL_YEAR_TAP03_FIT_R1 = 2003
MODEL_EXP_TYPE_TAP03_FIT_R1 = EXP_TYPE_R1RHO
+MODEL_SITES_TAP03_FIT_R1 = 2
MODEL_MP05 = 'MP05'
"""The R1rho 2-site off-resonance exchange model of Miloushev and Palmer
(2005)."""
@@ -192,6 +212,7 @@
MODEL_PARAMS_MP05 = ['r2', 'pA', 'dw', 'kex']
MODEL_YEAR_MP05 = 2005
MODEL_EXP_TYPE_MP05 = EXP_TYPE_R1RHO
+MODEL_SITES_MP05 = 2
MODEL_MP05_FIT_R1 = "%s_fit_r1"%MODEL_MP05
"""The R1rho 2-site off-resonance exchange model of Miloushev and Palmer
(2005)."""
@@ -199,6 +220,7 @@
MODEL_PARAMS_MP05_FIT_R1 = ['r1_fit', 'r2', 'pA', 'dw', 'kex']
MODEL_YEAR_MP05_FIT_R1 = 2005
MODEL_EXP_TYPE_MP05_FIT_R1 = EXP_TYPE_R1RHO
+MODEL_SITES_MP05_FIT_R1 = 2
# The Numerical model names.
@@ -207,55 +229,63 @@
MODEL_PARAMS_NS_CPMG_2SITE_3D = ['r2', 'pA', 'dw', 'kex']
MODEL_YEAR_NS_CPMG_2SITE_3D = 2004
MODEL_EXP_TYPE_NS_CPMG_2SITE_3D = EXP_TYPE_CPMG_SQ
+MODEL_SITES_NS_CPMG_2SITE_3D = 2
MODEL_NS_CPMG_2SITE_3D_FULL = 'NS CPMG 2-site 3D full'
MODEL_DESC_NS_CPMG_2SITE_3D_FULL = "The full numerical solution for the
2-site Bloch-McConnell equations using 3D magnetisation vectors for SQ CPMG
experiments."
MODEL_PARAMS_NS_CPMG_2SITE_3D_FULL = ['r2a', 'r2b', 'pA', 'dw', 'kex']
MODEL_YEAR_NS_CPMG_2SITE_3D_FULL = 2004
MODEL_EXP_TYPE_NS_CPMG_2SITE_3D_FULL = EXP_TYPE_CPMG_SQ
+MODEL_SITES_NS_CPMG_2SITE_3D_FULL = 2
MODEL_NS_CPMG_2SITE_STAR = 'NS CPMG 2-site star'
MODEL_DESC_NS_CPMG_2SITE_STAR = "The numerical reduced solution for the
2-site Bloch-McConnell equations using complex conjugate matrices for SQ
CPMG experiments, whereby the simplification R20A = R20B is assumed."
MODEL_PARAMS_NS_CPMG_2SITE_STAR = ['r2', 'pA', 'dw', 'kex']
MODEL_YEAR_NS_CPMG_2SITE_STAR = 2004
MODEL_EXP_TYPE_NS_CPMG_2SITE_STAR = EXP_TYPE_CPMG_SQ
+MODEL_SITES_NS_CPMG_2SITE_STAR = 2
MODEL_NS_CPMG_2SITE_STAR_FULL = 'NS CPMG 2-site star full'
MODEL_DESC_NS_CPMG_2SITE_STAR_FULL = "The full numerical solution for the
2-site Bloch-McConnell equations using complex conjugate matrices for SQ
CPMG experiments."
MODEL_PARAMS_NS_CPMG_2SITE_STAR_FULL = ['r2a', 'r2b', 'pA', 'dw', 'kex']
MODEL_YEAR_NS_CPMG_2SITE_STAR_FULL = 2004
MODEL_EXP_TYPE_NS_CPMG_2SITE_STAR_FULL = EXP_TYPE_CPMG_SQ
+MODEL_SITES_NS_CPMG_2SITE_STAR_FULL = 2
MODEL_NS_CPMG_2SITE_EXPANDED = 'NS CPMG 2-site expanded'
MODEL_DESC_NS_CPMG_2SITE_EXPANDED = "The numerical solution for the 2-site
Bloch-McConnell equations for SQ CPMG experiments, expanded using Maple by
Nikolai Skrynnikov."
MODEL_PARAMS_NS_CPMG_2SITE_EXPANDED = ['r2', 'pA', 'dw', 'kex']
MODEL_YEAR_NS_CPMG_2SITE_EXPANDED = 2001
MODEL_EXP_TYPE_NS_CPMG_2SITE_EXPANDED = EXP_TYPE_CPMG_SQ
+MODEL_SITES_NS_CPMG_2SITE_EXPANDED = 2
MODEL_NS_R1RHO_2SITE = 'NS R1rho 2-site'
MODEL_DESC_NS_R1RHO_2SITE = "The reduced numerical solution for the 2-site
Bloch-McConnell equations using 3D magnetisation vectors for R1rho-type
experiments, whereby the simplification R20A = R20B is assumed."
MODEL_PARAMS_NS_R1RHO_2SITE = ['r2', 'pA', 'dw', 'kex']
MODEL_YEAR_NS_R1RHO_2SITE = 2005
MODEL_EXP_TYPE_NS_R1RHO_2SITE = EXP_TYPE_R1RHO
+MODEL_SITES_NS_R1RHO_2SITE = 2
MODEL_NS_R1RHO_2SITE_FIT_R1 = "%s_fit_r1"%MODEL_NS_R1RHO_2SITE
MODEL_DESC_NS_R1RHO_2SITE_FIT_R1 = "The reduced numerical solution for the
2-site Bloch-McConnell equations using 3D magnetisation vectors for
R1rho-type experiments, whereby the simplification R20A = R20B is assumed,
and where R1 is fitted."
MODEL_PARAMS_NS_R1RHO_2SITE_FIT_R1 = ['r1_fit', 'r2', 'pA', 'dw', 'kex']
MODEL_YEAR_NS_R1RHO_2SITE_FIT_R1 = 2005
MODEL_EXP_TYPE_NS_R1RHO_2SITE_FIT_R1 = EXP_TYPE_R1RHO
+MODEL_SITES_NS_R1RHO_2SITE_FIT_R1 = 2
MODEL_NS_R1RHO_3SITE = 'NS R1rho 3-site'
MODEL_DESC_NS_R1RHO_3SITE = "The numerical solution for the 3-site
Bloch-McConnell equations using 3D magnetisation vectors for R1rho-type
experiments, whereby the simplification R20A = R20B = R20C is assumed."
MODEL_PARAMS_NS_R1RHO_3SITE = ['r2', 'pA', 'dw_AB', 'kex_AB', 'pB',
'dw_BC', 'kex_BC', 'kex_AC']
MODEL_YEAR_NS_R1RHO_3SITE = 2005
MODEL_EXP_TYPE_NS_R1RHO_3SITE = EXP_TYPE_R1RHO
+MODEL_SITES_NS_R1RHO_3SITE = 3
MODEL_NS_R1RHO_3SITE_LINEAR = 'NS R1rho 3-site linear'
MODEL_DESC_NS_R1RHO_3SITE_LINEAR = "The numerical solution for the 3-site
Bloch-McConnell equations using 3D magnetisation vectors for R1rho-type
experiments, linearised with kAC = kCA = 0 and whereby the simplification
R20A = R20B = R20C is assumed."
MODEL_PARAMS_NS_R1RHO_3SITE_LINEAR = ['r2', 'pA', 'dw_AB', 'kex_AB', 'pB',
'dw_BC', 'kex_BC']
MODEL_YEAR_NS_R1RHO_3SITE_LINEAR = 2005
MODEL_EXP_TYPE_NS_R1RHO_3SITE_LINEAR = EXP_TYPE_R1RHO
-
+MODEL_SITES_NS_R1RHO_3SITE_LINEAR = 3
# The multi-quantum data model names.
MODEL_MMQ_CR72 = 'MMQ CR72'
@@ -263,24 +293,28 @@
MODEL_PARAMS_MMQ_CR72 = ['r2', 'pA', 'dw', 'dwH', 'kex']
MODEL_YEAR_MMQ_CR72 = 2004
MODEL_EXP_TYPE_MMQ_CR72 = EXP_TYPE_CPMG_MMQ
+MODEL_SITES_MMQ_CR72 = 2
MODEL_NS_MMQ_2SITE = 'NS MMQ 2-site'
MODEL_DESC_NS_MMQ_2SITE = "The reduced numerical solution for the 2-site
Bloch-McConnell equations for MMQ CPMG experiments, whereby the
simplification R20A = R20B is assumed."
MODEL_PARAMS_NS_MMQ_2SITE = ['r2', 'pA', 'dw', 'dwH', 'kex']
MODEL_YEAR_NS_MMQ_2SITE = 2005
MODEL_EXP_TYPE_NS_MMQ_2SITE = EXP_TYPE_CPMG_MMQ
+MODEL_SITES_NS_MMQ_2SITE = 2
MODEL_NS_MMQ_3SITE = 'NS MMQ 3-site'
MODEL_DESC_NS_MMQ_3SITE = "The numerical solution for the 3-site
Bloch-McConnell equations for MMQ CPMG experiments, whereby the
simplification R20A = R20B = R20C is assumed."
MODEL_PARAMS_NS_MMQ_3SITE = ['r2', 'pA', 'dw_AB', 'dwH_AB', 'kex_AB',
'pB', 'dw_BC', 'dwH_BC', 'kex_BC', 'kex_AC']
MODEL_YEAR_NS_MMQ_3SITE = 2005
MODEL_EXP_TYPE_NS_MMQ_3SITE = EXP_TYPE_CPMG_MMQ
+MODEL_SITES_NS_MMQ_3SITE = 3
MODEL_NS_MMQ_3SITE_LINEAR = 'NS MMQ 3-site linear'
MODEL_DESC_NS_MMQ_3SITE_LINEAR = "The numerical solution for the 3-site
Bloch-McConnell equations for MMQ CPMG experiments, linearised with kAC =
kCA = 0 and whereby the simplification R20A = R20B = R20C is assumed."
MODEL_PARAMS_NS_MMQ_3SITE_LINEAR = ['r2', 'pA', 'dw_AB', 'dwH_AB',
'kex_AB', 'pB', 'dw_BC', 'dwH_BC', 'kex_BC']
MODEL_YEAR_NS_MMQ_3SITE_LINEAR = 2005
MODEL_EXP_TYPE_NS_MMQ_3SITE_LINEAR = EXP_TYPE_CPMG_MMQ
+MODEL_SITES_NS_MMQ_3SITE_LINEAR = 3
# The parameters.
PARAMS_R20 = ['r2', 'r2a', 'r2b']
@@ -577,4 +611,43 @@
MODEL_NS_MMQ_2SITE: MODEL_EXP_TYPE_NS_MMQ_2SITE,
MODEL_NS_MMQ_3SITE: MODEL_EXP_TYPE_NS_MMQ_3SITE,
MODEL_NS_MMQ_3SITE_LINEAR: MODEL_EXP_TYPE_NS_MMQ_3SITE_LINEAR
+}
+
+# Full list of number of chemical exchange sites.
+MODEL_SITES = {
+ MODEL_R2EFF: MODEL_SITES_R2EFF,
+ MODEL_NOREX: MODEL_SITES_NOREX,
+ MODEL_NOREX_R1RHO: MODEL_SITES_NOREX_R1RHO,
+ MODEL_NOREX_R1RHO_FIT_R1: MODEL_SITES_NOREX_R1RHO_FIT_R1,
+ MODEL_LM63: MODEL_SITES_LM63,
+ MODEL_LM63_3SITE: MODEL_SITES_LM63_3SITE,
+ MODEL_CR72: MODEL_SITES_CR72,
+ MODEL_CR72_FULL: MODEL_SITES_CR72_FULL,
+ MODEL_IT99: MODEL_SITES_IT99,
+ MODEL_TSMFK01: MODEL_SITES_TSMFK01,
+ MODEL_B14: MODEL_SITES_B14,
+ MODEL_B14_FULL: MODEL_SITES_B14_FULL,
+ MODEL_M61: MODEL_SITES_M61,
+ MODEL_M61B: MODEL_SITES_M61B,
+ MODEL_DPL94: MODEL_SITES_DPL94,
+ MODEL_DPL94_FIT_R1: MODEL_SITES_DPL94_FIT_R1,
+ MODEL_TP02: MODEL_SITES_TP02,
+ MODEL_TP02_FIT_R1: MODEL_SITES_TP02_FIT_R1,
+ MODEL_TAP03: MODEL_SITES_TAP03,
+ MODEL_TAP03_FIT_R1: MODEL_SITES_TAP03_FIT_R1,
+ MODEL_MP05: MODEL_SITES_MP05,
+ MODEL_MP05_FIT_R1: MODEL_SITES_MP05_FIT_R1,
+ MODEL_NS_CPMG_2SITE_3D: MODEL_SITES_NS_CPMG_2SITE_3D,
+ MODEL_NS_CPMG_2SITE_3D_FULL: MODEL_SITES_NS_CPMG_2SITE_3D_FULL,
+ MODEL_NS_CPMG_2SITE_STAR: MODEL_SITES_NS_CPMG_2SITE_STAR,
+ MODEL_NS_CPMG_2SITE_STAR_FULL: MODEL_SITES_NS_CPMG_2SITE_STAR_FULL,
+ MODEL_NS_CPMG_2SITE_EXPANDED: MODEL_SITES_NS_CPMG_2SITE_EXPANDED,
+ MODEL_NS_R1RHO_2SITE: MODEL_SITES_NS_R1RHO_2SITE,
+ MODEL_NS_R1RHO_2SITE_FIT_R1: MODEL_SITES_NS_R1RHO_2SITE_FIT_R1,
+ MODEL_NS_R1RHO_3SITE: MODEL_SITES_NS_R1RHO_3SITE,
+ MODEL_NS_R1RHO_3SITE_LINEAR: MODEL_SITES_NS_R1RHO_3SITE_LINEAR,
+ MODEL_MMQ_CR72: MODEL_SITES_MMQ_CR72,
+ MODEL_NS_MMQ_2SITE: MODEL_SITES_NS_MMQ_2SITE,
+ MODEL_NS_MMQ_3SITE: MODEL_SITES_NS_MMQ_3SITE,
+ MODEL_NS_MMQ_3SITE_LINEAR: MODEL_SITES_NS_MMQ_3SITE_LINEAR
}
Modified:
branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py
URL:
http://svn.gna.org/viewcvs/relax/branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py?rev=24982&r1=24981&r2=24982&view=diff
==============================================================================
---
branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py
(original)
+++
branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py
Mon Aug 11 09:09:28 2014
@@ -20,8 +20,8 @@
###############################################################################
# relax module imports.
-from specific_analyses.relax_disp.variables import MODEL_CR72,
MODEL_MMQ_CR72
-from specific_analyses.relax_disp.variables import MODEL_EXP_TYPE,
MODEL_PARAMS, MODEL_YEAR
+from specific_analyses.relax_disp.variables import MODEL_CR72,
MODEL_MMQ_CR72, MODEL_NS_R1RHO_3SITE
+from specific_analyses.relax_disp.variables import MODEL_EXP_TYPE,
MODEL_PARAMS, MODEL_SITES, MODEL_YEAR
from test_suite.unit_tests.base_classes import UnitTestCase
@@ -57,3 +57,13 @@
# Test the return.
self.assertEqual(exp_type_mmq_cr72, 'CPMG: SQ, DQ, MQ, ZQ, 1H SQ,
1H MQ')
+
+
+ def test_MODEL_SITES(self):
+ """Unit test of the MODEL_SITES dictionary."""
+
+ # Test model chemical sites return from model sites dictionary.
+ model_sites = MODEL_SITES[MODEL_NS_R1RHO_3SITE]
+
+ # Test the return.
+ self.assertEqual(model_sites, 3)
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Re: r24982 - in /branches/R1_fitting: specific_analyses/relax_disp/ test_suite/unit_tests/_specific_analyses/_relax_disp/