Re: r24876 - /branches/r1rho_plotting/specific_analyses/relax_disp/checks.py -- July 31, 2014

I never said or implied that you should implement the off-resonance
CPMG numerical model.  But the code you have written should now just
work when someone does.

Cheers,

Edward


On 31 July 2014 15:19, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx> wrote:

Hi Edward.

I won't add this feature, as I have no motivation to do so, or
any test data to test against.

The feature of this branch was only for purpose of R1rho plotting.
Not to extend functionality to CPMG.

The code is "quite close" to be easy to extend for CPMG.
But there is no purpose to use any more time on this.

Best
Troels


2014-07-31 15:16 GMT+02:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:

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.



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

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