Author: bugman
Date: Wed Jun 18 10:34:26 2014
New Revision: 24072
URL: http://svn.gna.org/viewcvs/relax?rev=24072&view=rev
Log:
Modified all of Troels' dispersion profiling scripts to work with older relax
versions.
This is in preparation for obtaining some powerful timing statistics. The
calls to the r2eff_*()
functions are unnecessary and are the only failure point in the scripts
between the current code in
the disp_spin_speed branch and trunk or older versions of relax. So these
function calls have been
eliminated.
Modified:
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_b14.py
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_cr72.py
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_tsmfk01.py
Modified:
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_b14.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_b14.py?rev=24072&r1=24071&r2=24072&view=diff
==============================================================================
---
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_b14.py
(original)
+++
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_b14.py
Wed Jun 18 10:34:26 2014
@@ -3,6 +3,7 @@
###############################################################################
#
#
# Copyright (C) 2014 Troels E. Linnet
#
+# Copyright (C) 2014 Edward d'Auvergne
#
#
#
# This file is part of the program relax (http://www.nmr-relax.com).
#
#
#
@@ -45,7 +46,6 @@
# relax module imports.
from lib.physical_constants import g1H, g15N
-from lib.dispersion.b14 import r2eff_B14
from target_functions.chi2 import chi2
from target_functions.relax_disp import Dispersion
from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_SQ,
MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_NS_CPMG_2SITE_3D_FULL,
MODEL_NS_CPMG_2SITE_STAR_FULL
@@ -282,10 +282,6 @@
r20b=R20B[r20_index]
back_calc = array([0.0]*len(cpmg_frqs[ei][mi][oi]))
- # Initialise call to function.
- #r2eff_B14(r20a=r20a, r20b=r20b, pA=pA, dw=dw_frq,
kex=kex, k_AB=None, k_BA=None, cpmg_frqs=array(cpmg_frqs[ei][mi][oi]),
back_calc=back_calc, num_points=len(back_calc))
- r2eff_B14(r20a=r20a, r20b=r20b, pA=pA, pB=pB, dw=dw_frq,
dw_orig=dw_frq, kex=kex, k_AB=k_AB, k_BA=k_BA, ncyc=array(self.ncycs[mi]),
inv_tcpmg=self.inv_relax_times[mi], tcp=array(self.tau_cpmg_list[mi]),
back_calc=back_calc, num_points=len(back_calc))
-
for oi in range(len(self.offset)):
for di in range(len(self.points[mi])):
@@ -514,4 +510,4 @@
model = C1.calc(params)
print(model)
-#test_reshape()
+#test_reshape()
Modified:
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_cr72.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_cr72.py?rev=24072&r1=24071&r2=24072&view=diff
==============================================================================
---
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_cr72.py
(original)
+++
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_cr72.py
Wed Jun 18 10:34:26 2014
@@ -3,6 +3,7 @@
###############################################################################
#
#
# Copyright (C) 2014 Troels E. Linnet
#
+# Copyright (C) 2014 Edward d'Auvergne
#
#
#
# This file is part of the program relax (http://www.nmr-relax.com).
#
#
#
@@ -45,7 +46,6 @@
# relax module imports.
from lib.physical_constants import g1H, g15N
-from lib.dispersion.cr72 import r2eff_CR72
from target_functions.chi2 import chi2
from target_functions.relax_disp import Dispersion
from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_SQ,
MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_NS_CPMG_2SITE_3D_FULL,
MODEL_NS_CPMG_2SITE_STAR_FULL
@@ -274,9 +274,6 @@
r20b=R20B[r20_index]
back_calc = array([0.0]*len(cpmg_frqs[ei][mi][oi]))
- # Initialise call to function.
- r2eff_CR72(r20a_orig=R20A, r20b_orig=R20B, r20a=r20a,
r20b=r20b, pA=pA, dw_orig=dw_frq, dw=dw_frq, kex=kex,
cpmg_frqs=array(cpmg_frqs[ei][mi][oi]), back_calc=back_calc,
num_points=len(back_calc))
-
for oi in range(len(self.offset)):
for di in range(len(self.points[mi])):
@@ -505,4 +502,4 @@
model = C1.calc(params)
print(model)
-#test_reshape()
+#test_reshape()
Modified:
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_tsmfk01.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_tsmfk01.py?rev=24072&r1=24071&r2=24072&view=diff
==============================================================================
---
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_tsmfk01.py
(original)
+++
branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_tsmfk01.py
Wed Jun 18 10:34:26 2014
@@ -3,6 +3,7 @@
###############################################################################
#
#
# Copyright (C) 2014 Troels E. Linnet
#
+# Copyright (C) 2014 Edward d'Auvergne
#
#
#
# This file is part of the program relax (http://www.nmr-relax.com).
#
#
#
@@ -45,7 +46,6 @@
# relax module imports.
from lib.physical_constants import g1H, g15N
-from lib.dispersion.tsmfk01 import r2eff_TSMFK01
from target_functions.chi2 import chi2
from target_functions.relax_disp import Dispersion
from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_SQ,
MODEL_TSMFK01
@@ -273,9 +273,6 @@
r20a=R20A[r20_index]
back_calc = array([0.0]*len(cpmg_frqs[ei][mi][oi]))
- # Initialise call to function.
- r2eff_TSMFK01(r20a=r20a, dw=dw_frq, dw_orig=dw_frq,
k_AB=k_AB, tcp=array(self.tau_cpmg_list[mi]), back_calc=back_calc,
num_points=len(back_calc))
-
for oi in range(len(self.offset)):
for di in range(len(self.points[mi])):
@@ -504,4 +501,4 @@
model = C1.calc(params)
print(model)
-#test_reshape()
+#test_reshape()
r24072 - /branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/