Re: r8339 - in /branches/relax_disp: prompt/ specific_fns/ test_suite/system_tests/scripts/ -- January 08, 2009 - 17:56

Seb,

Do we need to associate delayT with different spectra?  Is it not the
same for all spectra from all field strengths?

Regards,

Edward


On Thu, Jan 8, 2009 at 5:48 PM,  <sebastien.morin.1@xxxxxxxxx> wrote:
> Author: semor
> Date: Thu Jan  8 17:48:13 2009
> New Revision: 8339
>
> URL: http://svn.gna.org/viewcvs/relax?rev=8339&view=rev
> Log:
> Added the user function cpmg_delayT() which allows setting the CPMG 
> constant time delay T used for
> the analysed dataset.
>
> This follows a post at:
> https://mail.gna.org/public/relax-devel/2009-01/msg00027.html
> (Message-id: <496583C7.6050607@xxxxxxxxx>)
>
>
> Modified:
>    branches/relax_disp/prompt/relax_disp.py
>    branches/relax_disp/specific_fns/relax_disp.py
>    
> branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
>
> Modified: branches/relax_disp/prompt/relax_disp.py
> URL: 
> http://svn.gna.org/viewcvs/relax/branches/relax_disp/prompt/relax_disp.py?rev=8339&r1=8338&r2=8339&view=diff
> ==============================================================================
> --- branches/relax_disp/prompt/relax_disp.py (original)
> +++ branches/relax_disp/prompt/relax_disp.py Thu Jan  8 17:48:13 2009
> @@ -45,6 +45,42 @@
>
>         # Place relax in the class namespace.
>         self.__relax__ = relax
> +
> +
> +    def cpmg_delayT(self, id=None, delayT=None):
> +        """Set the CPMG constant time delay (T) of the experiment.
> +
> +        Keyword arguments
> +        ~~~~~~~~~~~~~~~~~
> +
> +        id:  The experiment identification string.
> +
> +        delayT:   The CPMG constant time delay (T) in s.
> +
> +
> +        Description
> +        ~~~~~~~~~~~
> +
> +        This user function allows the CPMG constant time delay (T) of a 
> given experiment to be set.
> +        """
> +
> +        # Function intro text.
> +        if self.__relax__.interpreter.intro:
> +            text = sys.ps3 + "delayT("
> +            text = text + "id=" + `id`
> +            text = text + ", delayT=" + `delayT` + ")"
> +            print text
> +
> +        # Id string.
> +        if type(id) != str:
> +            raise RelaxStrError, ('experiment identification string', id)
> +
> +        # The CPMG constant time delay (T).
> +        if type(delayT) != float and type(delayT) != int:
> +            raise RelaxNumError, ('CPMG constant time delay (T)', delayT)
> +
> +        # Execute the functional code.
> +        specific_fns.relax_disp.cpmg_delayT(id=id, delayT=delayT)
>
>
>     def exp_type(self, exp='cpmg'):
>
> 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=8339&r1=8338&r2=8339&view=diff
> ==============================================================================
> --- branches/relax_disp/specific_fns/relax_disp.py (original)
> +++ branches/relax_disp/specific_fns/relax_disp.py Thu Jan  8 17:48:13 2009
> @@ -205,6 +205,41 @@
>
>         # Add the frequency at the correct position.
>         cdp.cpmg_frqs[index] = frq
> +
> +
> +    def cpmg_delayT(id=None, delayT=None):
> +        """Set the CPMG constant time delay (T) of the experiment.
> +
> +        @keyword id:       The experimental identification string 
> (allowing for multiple experiments
> +                           per data pipe).
> +        @type id:          str
> +        @keyword delayT:   The CPMG constant time delay (T) in s.
> +        @type delayT:      float
> +        """
> +
> +        # Function intro text.
> +        if self.__relax__.interpreter.intro:
> +            text = sys.ps3 + "delayT("
> +            text = text + "id=" + `id`
> +            text = text + ", delayT=" + `delayT` + ")"
> +            print text
> +
> +        # Test if the current data pipe exists.
> +        pipes.test()
> +
> +        # Alias the current data pipe.
> +        cdp = pipes.get_pipe()
> +
> +        # Set up the dictionnary data structure if it doesn't exist yet.
> +        if not hasattr(cdp, 'delayT'):
> +            cdp.delayT = {}
> +
> +        # Test the CPMG constant time delay (T) has not already been set.
> +        if cdp.delayT.has_key(id):
> +           raise RelaxError, "The CPMG constant time delay (T) for the 
> experiment " + `id` + " has already been set."
> +
> +        # Set the CPMG constant time delay (T).
> +        cdp.delayT[id] = delayT
>
>
>     def create_mc_data(self, spin_id):
>
> Modified: 
> branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
> URL: 
> http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py?rev=8339&r1=8338&r2=8339&view=diff
> ==============================================================================
> --- 
> branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py 
> (original)
> +++ 
> branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py 
> Thu Jan  8 17:48:13 2009
> @@ -22,6 +22,9 @@
>
>  # Relaxation dispersion magnetic field (in Hz).
>  frq.set(id='600', frq=600.0 * 1e6)
> +
> +# Relaxation dispersion CPMG constant time delay T (in s).
> +cpmg_delayT(id='600', delayT=0.020)
>
>  # Relaxation dispersion CPMG frequencies (in Hz).
>  cpmg_frq = [
>
>
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