Author: semor
Date: Sat Jan 10 02:45:29 2009
New Revision: 8357
URL: http://svn.gna.org/viewcvs/relax?rev=8357&view=rev
Log:
Introduced CPMG parameters into the function return_grace_string() and
corrected formatting issues.
Modified:
branches/relax_disp/specific_fns/relax_disp.py
Modified: branches/relax_disp/specific_fns/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_fns/relax_disp.py?rev=8357&r1=8356&r2=8357&view=diff
==============================================================================
--- branches/relax_disp/specific_fns/relax_disp.py (original)
+++ branches/relax_disp/specific_fns/relax_disp.py Sat Jan 10 02:45:29 2009
@@ -88,7 +88,7 @@
else:
param_vector.append(spin.kex)
- # Relaxation rate for state A.
+ # Transversal relaxation rate for state A.
if spin.params[i] == 'R2A':
if sim_index != None:
param_vector.append(spin.r2a_sim[sim_index])
@@ -485,7 +485,7 @@
# Exchange rate.
spin.kex_sim[sim_index] = param_vector[2]
- # Relaxation rate for state A.
+ # Transversal relaxation rate for state A.
spin.r2a_sim[sim_index] = param_vector[3]
# Exchange rate from state A to state B.
@@ -505,7 +505,7 @@
# Exchange rate.
spin.kex = param_vector[2]
- # Relaxation rate for state A.
+ # Transversal relaxation rate for state A.
spin.r2a = param_vector[3]
# Exchange rate from state A to state B.
@@ -1075,23 +1075,35 @@
# Get the object name.
object_name = self.return_data_name(data_type)
- # Relaxation rate.
- if object_name == 'rx':
- grace_string = '\\qR\\sx\\Q'
-
# Peak intensities.
- elif object_name == 'intensities':
+ if object_name == 'intensities':
grace_string = '\\qPeak intensities\\Q'
- # Initial intensity.
- elif object_name == 'i0':
- grace_string = '\\qI\\s0\\Q'
-
- # Intensity at infinity.
- elif object_name == 'iinf':
- grace_string = '\\qI\\sinf\\Q'
-
- # Intensity at infinity.
+ # Transversal relaxation rate.
+ elif object_name == 'r2':
+ grace_string = '\\qR\\s2\\N (s\\S-1\\N)\\Q'
+
+ # Chemical exchange contribution to 'R2'.
+ elif object_name == 'rex':
+ grace_string = '\\qR\\sex\\N (s\\S-1\\N)\\Q'
+
+ # Exchange rate.
+ elif object_name == 'kex':
+ grace_string = '\\qk\\sex\\N (s\\S-1\\N)\\Q'
+
+ # Transversal relaxation rate for state A.
+ elif object_name == 'r2a':
+ grace_string = '\\qR\\s2,A\\N (s\\S-1\\N)\\Q'
+
+ # Exchange rate from state A to state B.
+ elif object_name == 'ka':
+ grace_string = '\\qk\\sA\\N (s\\S-1\\N)\\Q'
+
+ # Chemical shift difference between states A and B.
+ elif object_name == 'dw':
+ grace_string = '\\q\\xDw\\f{} (Hz)\\Q'
+
+ # CPMG pulse train frequency
elif object_name == 'cpmg_frqs':
grace_string = '\\qCPMG pulse train frequency (Hz)\\Q'
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