Author: bugman
Date: Sat Nov 16 17:12:57 2013
New Revision: 21473
URL: http://svn.gna.org/viewcvs/relax?rev=21473&view=rev
Log:
Removed all remnants of the MQ R1rho data type.
This data type does not exist and was mostly removed, but some small bits
remained.
Modified:
branches/relax_disp/specific_analyses/relax_disp/disp_data.py
branches/relax_disp/specific_analyses/relax_disp/variables.py
branches/relax_disp/target_functions/relax_disp.py
branches/relax_disp/user_functions/relax_disp.py
Modified: branches/relax_disp/specific_analyses/relax_disp/disp_data.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/disp_data.py?rev=21473&r1=21472&r2=21473&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/disp_data.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/disp_data.py Sat Nov 16
17:12:57 2013
@@ -52,7 +52,7 @@
from pipe_control.spectrum import add_spectrum_id, get_ids
from pipe_control.spectrometer import check_frequency, get_frequency,
set_frequency
from specific_analyses.relax_disp.checks import check_exp_type,
check_mixed_curve_types
-from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG,
EXP_TYPE_DESC_CPMG, EXP_TYPE_DESC_DQ_CPMG, EXP_TYPE_DESC_R1RHO,
EXP_TYPE_DESC_MQ_CPMG, EXP_TYPE_DESC_MQ_R1RHO, EXP_TYPE_DESC_ZQ_CPMG,
EXP_TYPE_DQ_CPMG, EXP_TYPE_LIST, EXP_TYPE_LIST_CPMG, EXP_TYPE_LIST_R1RHO,
EXP_TYPE_MQ_CPMG, EXP_TYPE_MQ_R1RHO, EXP_TYPE_R1RHO, EXP_TYPE_ZQ_CPMG,
MODEL_MMQ_2SITE
+from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG,
EXP_TYPE_DESC_CPMG, EXP_TYPE_DESC_DQ_CPMG, EXP_TYPE_DESC_R1RHO,
EXP_TYPE_DESC_MQ_CPMG, EXP_TYPE_DESC_ZQ_CPMG, EXP_TYPE_DQ_CPMG,
EXP_TYPE_LIST, EXP_TYPE_LIST_CPMG, EXP_TYPE_LIST_R1RHO, EXP_TYPE_MQ_CPMG,
EXP_TYPE_R1RHO, EXP_TYPE_ZQ_CPMG, MODEL_MMQ_2SITE
from stat import S_IRWXU, S_IRGRP, S_IROTH
from os import chmod, sep
@@ -2047,8 +2047,6 @@
text += EXP_TYPE_DESC_DQ_CPMG + "."
elif exp_type == EXP_TYPE_ZQ_CPMG:
text += EXP_TYPE_DESC_ZQ_CPMG + "."
- elif exp_type == EXP_TYPE_MQ_R1RHO:
- text += EXP_TYPE_DESC_MQ_R1RHO + "."
elif exp_type == EXP_TYPE_R1RHO:
text += EXP_TYPE_DESC_R1RHO + "."
print(text)
Modified: branches/relax_disp/specific_analyses/relax_disp/variables.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/variables.py?rev=21473&r1=21472&r2=21473&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/variables.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/variables.py Sat Nov 16
17:12:57 2013
@@ -30,7 +30,6 @@
EXP_TYPE_DQ_CPMG = 'DQ CPMG'
EXP_TYPE_MQ_CPMG = 'MQ CPMG'
EXP_TYPE_ZQ_CPMG = 'ZQ CPMG'
-EXP_TYPE_MQ_R1RHO = 'MQ R1rho'
# Experiment type descriptions.
@@ -39,17 +38,16 @@
EXP_TYPE_DESC_DQ_CPMG = "the double quantum (DQ) CPMG-type experiment"
EXP_TYPE_DESC_MQ_CPMG = "the multiple quantum (MQ) CPMG-type experiment"
EXP_TYPE_DESC_ZQ_CPMG = "the zero quantum (ZQ) CPMG-type experiment"
-EXP_TYPE_DESC_MQ_R1RHO = "the multiple quantum (MQ) R1rho-type experiment"
# The experiment type lists.
-EXP_TYPE_LIST = [EXP_TYPE_CPMG, EXP_TYPE_R1RHO, EXP_TYPE_DQ_CPMG,
EXP_TYPE_MQ_CPMG, EXP_TYPE_ZQ_CPMG, EXP_TYPE_MQ_R1RHO]
+EXP_TYPE_LIST = [EXP_TYPE_CPMG, EXP_TYPE_R1RHO, EXP_TYPE_DQ_CPMG,
EXP_TYPE_MQ_CPMG, EXP_TYPE_ZQ_CPMG]
"""The list of all dispersion experiment types."""
EXP_TYPE_LIST_CPMG = [EXP_TYPE_CPMG, EXP_TYPE_DQ_CPMG, EXP_TYPE_MQ_CPMG,
EXP_TYPE_ZQ_CPMG]
"""The list of all dispersion experiment types for CPMG-type data."""
-EXP_TYPE_LIST_R1RHO = [EXP_TYPE_R1RHO, EXP_TYPE_MQ_R1RHO]
+EXP_TYPE_LIST_R1RHO = [EXP_TYPE_R1RHO]
"""The list of all dispersion experiment types for R1rho-type data."""
@@ -146,12 +144,6 @@
MODEL_LIST_MQ_CPMG_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_MQ_CR72,
MODEL_MMQ_2SITE]
"""The list of the R2eff model together with all dispersion models
specifically for MQ CPMG-type experiments."""
-MODEL_LIST_MQ_R1RHO = [MODEL_NOREX]
-"""The list of all dispersion models specifically for MQ R1rho-type
experiments (excluding the R2eff model)."""
-
-MODEL_LIST_MQ_R1RHO_FULL = [MODEL_R2EFF, MODEL_NOREX]
-"""The list of the R2eff model together with all dispersion models
specifically for MQ R1rho-type experiments."""
-
MODEL_LIST_ANALYTIC = [MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72,
MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01,MODEL_M61, MODEL_M61B,
MODEL_DPL94, MODEL_TP02, MODEL_MP05, MODEL_MQ_CR72]
"""The list of all analytic models."""
Modified: branches/relax_disp/target_functions/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/target_functions/relax_disp.py?rev=21473&r1=21472&r2=21473&view=diff
==============================================================================
--- branches/relax_disp/target_functions/relax_disp.py (original)
+++ branches/relax_disp/target_functions/relax_disp.py Sat Nov 16 17:12:57
2013
@@ -48,7 +48,7 @@
from lib.dispersion.tsmfk01 import r2eff_TSMFK01
from lib.errors import RelaxError
from target_functions.chi2 import chi2
-from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG,
EXP_TYPE_MQ_CPMG, EXP_TYPE_MQ_R1RHO, EXP_TYPE_R1RHO, MODEL_CR72,
MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_CPMG,
MODEL_LIST_CPMG_NUM, MODEL_LIST_FULL, MODEL_LIST_MQ_CPMG,
MODEL_LIST_MQ_R1RHO, MODEL_LIST_R1RHO, MODEL_LM63, MODEL_LM63_3SITE,
MODEL_M61, MODEL_M61B, MODEL_MMQ_2SITE, MODEL_MP05, MODEL_MQ_CR72,
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_R1RHO_2SITE, MODEL_R2EFF, MODEL_TP02,
MODEL_TSMFK01
+from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG,
EXP_TYPE_MQ_CPMG, EXP_TYPE_R1RHO, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94,
MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_CPMG_NUM, MODEL_LIST_FULL,
MODEL_LIST_MQ_CPMG, MODEL_LIST_R1RHO, MODEL_LM63, MODEL_LM63_3SITE,
MODEL_M61, MODEL_M61B, MODEL_MMQ_2SITE, MODEL_MP05, MODEL_MQ_CR72,
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_R1RHO_2SITE, MODEL_R2EFF, MODEL_TP02,
MODEL_TSMFK01
class Dispersion:
@@ -493,8 +493,6 @@
raise RelaxError("The '%s' R1rho model is not compatible
with the '%s' experiment type." % (self.model, self.exp_types[0]))
if self.model != MODEL_NOREX and self.model in
MODEL_LIST_MQ_CPMG and self.exp_types[0] != EXP_TYPE_MQ_CPMG:
raise RelaxError("The '%s' CPMG model is not compatible with
the '%s' experiment type." % (self.model, self.exp_types[0]))
- if self.model != MODEL_NOREX and self.model in
MODEL_LIST_MQ_R1RHO and self.exp_types[0] != EXP_TYPE_MQ_R1RHO:
- raise RelaxError("The '%s' R1rho model is not compatible
with the '%s' experiment type." % (self.model, self.exp_types[0]))
def func_CR72(self, params):
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=21473&r1=21472&r2=21473&view=diff
==============================================================================
--- branches/relax_disp/user_functions/relax_disp.py (original)
+++ branches/relax_disp/user_functions/relax_disp.py Sat Nov 16 17:12:57 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_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.relax_disp.variables import EXP_TYPE_CPMG,
EXP_TYPE_DQ_CPMG, EXP_TYPE_MQ_CPMG, 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
@@ -844,10 +844,6 @@
uf.desc[-1].add_paragraph("The currently supported models are:")
uf.desc[-1].add_item_list_element("'%s'" % MODEL_MQ_CR72, "The the Carver
and Richards (1972) 2-site model for all time scales expanded for MQ 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_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}.")
-# MQ R1rho-type data.
-uf.desc.append(Desc_container('The MQ R1rho-type experiments'))
-uf.desc[-1].add_paragraph("The currently supported models are:")
-uf.desc[-1].add_item_list_element("N/A", "No models are implemented.")
# 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:")
r21473 - in /branches/relax_disp: specific_analyses/relax_disp/ target_functions/ user_functions/