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, <[email protected]> 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: <[email protected]>) > > > 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 = [ > > > _______________________________________________ > relax (http://nmr-relax.com) > > This is the relax-commits mailing list > [email protected] > > 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 > _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] 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-devel
