Author: bugman
Date: Wed Mar 2 20:03:10 2011
New Revision: 12742
URL: http://svn.gna.org/viewcvs/relax?rev=12742&view=rev
Log:
Replaced all instances of cdp.frq[0] with cdp.frq[cdp.ri_ids[0]].
Modified:
branches/relax_data/generic_fns/dasha.py
branches/relax_data/sample_scripts/mf_table_csv.py
branches/relax_data/sample_scripts/mf_table_latex.py
branches/relax_data/specific_fns/model_free/bmrb.py
branches/relax_data/specific_fns/model_free/molmol.py
branches/relax_data/test_suite/system_tests/scripts/model_free/latex_mf_table.py
Modified: branches/relax_data/generic_fns/dasha.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/generic_fns/dasha.py?rev=12742&r1=12741&r2=12742&view=diff
==============================================================================
--- branches/relax_data/generic_fns/dasha.py (original)
+++ branches/relax_data/generic_fns/dasha.py Wed Mar 2 20:03:10 2011
@@ -183,8 +183,11 @@
# Frequency values.
file.write('\n# Frequency values.\n')
- for i in xrange(cdp.num_frq):
- file.write('set H1_freq ' + repr(cdp.frq[i] / 1e6) + ' ' + repr(i+1)
+ '\n')
+ frqs = []
+ for ri_id in cdp.ri_ids:
+ if not cdp.frq[ri_id] in frqs:
+ frqs.append(cdp.frq[ri_id])
+ file.write('set H1_freq ' + repr(cdp.frq[ri_id] / 1e6) + ' ' +
repr(i+1) + '\n')
# Set the diffusion tensor.
file.write('\n# Set the diffusion tensor.\n')
@@ -487,7 +490,7 @@
if param in ['te', 'tf', 'ts']:
scaling = 1e-9
elif param == 'Rex':
- scaling = 1.0 / (2.0 * pi * cdp.frq[0]) ** 2
+ scaling = 1.0 / (2.0 * pi * cdp.frq[cdp.ri_ids[0]]) ** 2
else:
scaling = 1.0
Modified: branches/relax_data/sample_scripts/mf_table_csv.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/sample_scripts/mf_table_csv.py?rev=12742&r1=12741&r2=12742&view=diff
==============================================================================
--- branches/relax_data/sample_scripts/mf_table_csv.py (original)
+++ branches/relax_data/sample_scripts/mf_table_csv.py Wed Mar 2 20:03:10
2011
@@ -68,7 +68,7 @@
self.file.write("S2f, ")
self.file.write("te < 100 or tf, ")
self.file.write("te > 100 or ts, ")
- self.file.write("Rex (" + repr(cdp.frq[0] / 1e6) + " MHz)")
+ self.file.write("Rex (" + repr(cdp.frq[cdp.ri_ids[0]] / 1e6) + "
MHz)")
self.file.write("\n")
# Units.
Modified: branches/relax_data/sample_scripts/mf_table_latex.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/sample_scripts/mf_table_latex.py?rev=12742&r1=12741&r2=12742&view=diff
==============================================================================
--- branches/relax_data/sample_scripts/mf_table_latex.py (original)
+++ branches/relax_data/sample_scripts/mf_table_latex.py Wed Mar 2 20:03:10
2011
@@ -106,7 +106,7 @@
self.file.write("\multicolumn{2}{c}{$S^2_f$} &%\n")
self.file.write("\multicolumn{2}{c}{$\\tau_e < 100$ or $\\tau_f$}
&%\n")
self.file.write("\multicolumn{2}{c}{$\\tau_e > 100$ or $\\tau_s$}
&%\n")
- self.file.write("\multicolumn{2}{c}{$R_{ex}$ (" + repr(cdp.frq[0] /
1e6) + " MHz)} \\\\\n")
+ self.file.write("\multicolumn{2}{c}{$R_{ex}$ (" +
repr(cdp.frq[cdp.ri_ids[0]] / 1e6) + " MHz)} \\\\\n")
self.file.write("\n")
# Units.
Modified: branches/relax_data/specific_fns/model_free/bmrb.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/specific_fns/model_free/bmrb.py?rev=12742&r1=12741&r2=12742&view=diff
==============================================================================
--- branches/relax_data/specific_fns/model_free/bmrb.py (original)
+++ branches/relax_data/specific_fns/model_free/bmrb.py Wed Mar 2 20:03:10
2011
@@ -178,7 +178,7 @@
# Rex scaling.
rex_scale = 1.0
if hasattr(cdp, 'frq') and len(cdp.frq):
- rex_scale = 1.0 / (2.0*pi*cdp.frq[0])**2
+ rex_scale = 1.0 / (2.0*pi*cdp.frq[cdp.ri_ids[0]])**2
# Loop over the spins.
for i in range(N):
@@ -366,7 +366,7 @@
global_chi2 = cdp.chi2
# Rex frq.
- rex_frq = cdp.frq[0]
+ rex_frq = cdp.frq[cdp.ri_ids[0]]
# Initialise the spin specific data lists.
mol_name_list = []
Modified: branches/relax_data/specific_fns/model_free/molmol.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/specific_fns/model_free/molmol.py?rev=12742&r1=12741&r2=12742&view=diff
==============================================================================
--- branches/relax_data/specific_fns/model_free/molmol.py (original)
+++ branches/relax_data/specific_fns/model_free/molmol.py Wed Mar 2 20:03:10
2011
@@ -538,7 +538,7 @@
"""Function for generating the bond width and colours for
correlation times."""
# The Rex value at the first field strength.
- rex = rex * (2.0 * pi * cdp.frq[0])**2
+ rex = rex * (2.0 * pi * cdp.frq[cdp.ri_ids[0]])**2
# The bond width (aiming for a width range of 2 to 0 for Rex values
of 0 to 25 s^-1).
width = 2.0 - 2.0 / (rex/5.0 + 1.0)
Modified:
branches/relax_data/test_suite/system_tests/scripts/model_free/latex_mf_table.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/scripts/model_free/latex_mf_table.py?rev=12742&r1=12741&r2=12742&view=diff
==============================================================================
---
branches/relax_data/test_suite/system_tests/scripts/model_free/latex_mf_table.py
(original)
+++
branches/relax_data/test_suite/system_tests/scripts/model_free/latex_mf_table.py
Wed Mar 2 20:03:10 2011
@@ -109,7 +109,7 @@
self.file.write("\multicolumn{2}{c}{$S^2_f$} &%\n")
self.file.write("\multicolumn{2}{c}{$\\tau_e < 100$ or $\\tau_f$}
&%\n")
self.file.write("\multicolumn{2}{c}{$\\tau_e > 100$ or $\\tau_s$}
&%\n")
- self.file.write("\multicolumn{2}{c}{$R_{ex}$ (" + repr(cdp.frq[0] /
1e6) + " MHz)} \\\\\n")
+ self.file.write("\multicolumn{2}{c}{$R_{ex}$ (" +
repr(cdp.frq[cdp.ri_ids[0]] / 1e6) + " MHz)} \\\\\n")
self.file.write("\n")
# Units.
r12742 - in /branches/relax_data: generic_fns/ sample_scripts/ specific_fns/model_free/ test_suite/system_tests/scripts/mode...