Author: tlinnet
Date: Tue Nov 24 08:15:43 2015
New Revision: 28094
URL: http://svn.gna.org/viewcvs/relax?rev=28094&view=rev
Log:
Fix for spelling mistake and documenting the new behavior of
relax_disp.r2eff_read(), when reading r2eff points with the same frequency.
If the spin-container already contain r2eff values with the 'frequency of the
CPMG pulse' or 'spin-lock field strength',
the frequency will be changed by a infinitesimal small value of + 0.001 Hz.
This allow for duplicates or more of the same frequency.
Modified:
trunk/specific_analyses/relax_disp/data.py
Modified: trunk/specific_analyses/relax_disp/data.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/data.py?rev=28094&r1=28093&r2=28094&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/data.py (original)
+++ trunk/specific_analyses/relax_disp/data.py Tue Nov 24 08:15:43 2015
@@ -2307,7 +2307,7 @@
def r2eff_read(id=None, file=None, dir=None, disp_frq=None, offset=None,
spin_id_col=None, mol_name_col=None, res_num_col=None, res_name_col=None,
spin_num_col=None, spin_name_col=None, data_col=None, error_col=None, sep=None):
- """Read R2eff/R1rho values directly from a file whereby each row
corresponds to a different spin.
+ """Read R2eff/R1rho values directly from a file whereby each row
corresponds to a different spin. If the spin-container already contain r2eff
values with the 'frequency of the CPMG pulse' or 'spin-lock field strength',
the frequency will be changed by a infinitesimal small value of + 0.001 Hz.
This allow for duplicates or more of the same frequency.
@keyword id: The experiment ID string to associate the data
with.
@type id: str
@@ -2408,7 +2408,7 @@
disp_frq_infinitesimal += 0.001
point_key_infinitesimal =
return_param_key_from_data(exp_type=exp_type, frq=frq, offset=offset,
point=disp_frq_infinitesimal)
- warn(RelaxWarning("The dispersion point is changed from %.3f
to %.3f, and hhe new key: %s"%(disp_frq, disp_frq_infinitesimal,
point_key_infinitesimal)))
+ warn(RelaxWarning("The dispersion point is changed from %.3f
to %.3f, and the new key is: %s"%(disp_frq, disp_frq_infinitesimal,
point_key_infinitesimal)))
spin.r2eff[point_key_infinitesimal] = value
store_infinitesimal = True
@@ -2435,7 +2435,7 @@
disp_frq_infinitesimal += 0.001
point_key_infinitesimal =
return_param_key_from_data(exp_type=exp_type, frq=frq, offset=offset,
point=disp_frq_infinitesimal)
- warn(RelaxWarning("The dispersion point is changed from %.3f
to %.3f, and hhe new key: %s\n"%(disp_frq, disp_frq_infinitesimal,
point_key_infinitesimal)))
+ warn(RelaxWarning("The dispersion point is changed from %.3f
to %.3f, and the new key is: %s\n"%(disp_frq, disp_frq_infinitesimal,
point_key_infinitesimal)))
spin.r2eff_err[point_key_infinitesimal] = error
store_infinitesimal = True
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