mailRe: r24876 - /branches/r1rho_plotting/specific_analyses/relax_disp/checks.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by Edward d'Auvergne on July 31, 2014 - 15:16:
Hi,

I'm not sure if this check is needed.  I've been watching your changes
and it looks like the interpolation will work.  Well, I've been trying
to direct you in the right direction so that your feature will
automatically work with CPMG data.  It's just that we have no
synthetic or measured data to test this against.  But it will be
exactly the same code for the R1rho data - unmodified - which will do
the interpolation for the CPMG as well.

Cheers,

Edward



On 31 July 2014 15:12,  <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Thu Jul 31 15:12:13 2014
New Revision: 24876

URL: http://svn.gna.org/viewcvs/relax?rev=24876&view=rev
Log:
Added check function for relax_disp. This function check if interpolating 
against offset for non-R1 exp types, and will raise an Error.

sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho 
analysis with R2_eff as function of Omega_eff.
sr #3138(https://gna.org/support/?3138): Interpolating theta through 
spin-lock offset [Omega], rather than spin-lock field strength [w1].

Modified:
    branches/r1rho_plotting/specific_analyses/relax_disp/checks.py

Modified: branches/r1rho_plotting/specific_analyses/relax_disp/checks.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/r1rho_plotting/specific_analyses/relax_disp/checks.py?rev=24876&r1=24875&r2=24876&view=diff
==============================================================================
--- branches/r1rho_plotting/specific_analyses/relax_disp/checks.py      
(original)
+++ branches/r1rho_plotting/specific_analyses/relax_disp/checks.py      Thu 
Jul 31 15:12:13 2014
@@ -114,6 +114,20 @@
             raise RelaxError("The experiment '%s' is not of the fixed 
relaxation time period data type." % exp_type)


+def check_interpolate_offset_cpmg_model(interpolate=None):
+    """Check interpolating through offsets in CPMG models.
+
+    @keyword interpolate:           How to interpolate the fitted curves.  
Either by option "%s" which interpolate CPMG frequency or spin-lock field 
strength, or by option "%s" which interpole over spin-lock offset.
+    @type interpolate:              str
+    @raises RelaxFuncSetupError:    If the interpolate method is set to 
'offset' for not-R1rho models.
+    """%(specific_analyses.relax_disp.data.INTERPOLATE_DISP, 
specific_analyses.relax_disp.data.INTERPOLATE_OFFSET)
+
+    # Check if interpolating against offset for CPMG models.
+    # This is currently not implemented, and will raise an error.
+    if not specific_analyses.relax_disp.data.has_r1rho_exp_type() and 
interpolate == specific_analyses.relax_disp.data.INTERPOLATE_OFFSET:
+        raise RelaxFuncSetupError("interpolating against Spin-lock offset 
for CPMG models")
+
+
 def check_mixed_curve_types():
     """Prevent both fixed time and exponential curves from being analysed 
simultaneously.



_______________________________________________
relax (http://www.nmr-relax.com)

This is the relax-commits mailing list
relax-commits@xxxxxxx

To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-commits



Related Messages


Powered by MHonArc, Updated Thu Jul 31 15:40:11 2014