Author: semor Date: Mon Jan 26 22:38:05 2009 New Revision: 8656 URL: http://svn.gna.org/viewcvs/relax?rev=8656&view=rev Log: Continued to implement the user function calc_r2eff(). This follows a discussion at: https://mail.gna.org/public/relax-devel/2009-01/msg00067.html (Message-id: <496B479D.3070304@xxxxxxxxx>) Modified: branches/relax_disp/prompt/relax_disp.py branches/relax_disp/specific_fns/relax_disp.py Modified: branches/relax_disp/prompt/relax_disp.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/prompt/relax_disp.py?rev=8656&r1=8655&r2=8656&view=diff ============================================================================== --- branches/relax_disp/prompt/relax_disp.py (original) +++ branches/relax_disp/prompt/relax_disp.py Mon Jan 26 22:38:05 2009 @@ -47,6 +47,44 @@ self.__relax__ = relax + def calc_r2eff(self, exp_type='cpmg', id=None, delayT=None, int_cpmg=0, int_ref=0): + """Calculate the effective transversal relaxation rate from the peak intensities. + + THIS FUNCTION IS NOT WRITTEN YET. + + + Keyword arguments + ~~~~~~~~~~~~~~~~~ + + exp_type: The relaxation dispersion experiment type, either 'cpmg' or 'r1rho'. + + id: The experiment identification string. + + delayT: The CPMG constant time delay (T) in s. + + int_cpmg: Intensity of the peak in the CPMG spectrum. + + int_ref: Intensity of the peak in the reference spectrum. + + + Description + ~~~~~~~~~~~ + + This user function allows one to extract 'r2eff' values from epak intensities. + + If 'cpmg' is chosen, the equation used is: + r2eff = - ( 1 / delayT ) * log ( int_cpmg / int_ref ) + + If 'r1rho' is chosen, nothing happens yet, as the code is not implemented. + + + Examples + ~~~~~~~~ + + + """ + + def cpmg_delayT(self, id=None, delayT=None): """Set the CPMG constant time delay (T) of the experiment. 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=8656&r1=8655&r2=8656&view=diff ============================================================================== --- branches/relax_disp/specific_fns/relax_disp.py (original) +++ branches/relax_disp/specific_fns/relax_disp.py Mon Jan 26 22:38:05 2009 @@ -245,10 +245,17 @@ """Calculate the effective transversal relaxation rate from the peak intensities. The equation depends on the experiment type chosen, either 'cpmg' or 'r1rho'. - If 'cpmg' is chosen, the equation used is: - r2eff = - ( 1 / delayT ) * log ( int_cpmg / int_ref ) - - If 'r1rho' is chosen, nothing happens yet, as the code is not implemented. + @keyword exp_type: The experiment type, either 'cpmg' or 'r1rho'. + @type exp_type: str + @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 + @keyword int_cpmg: The intensity of the peak in the CPMG spectrum. + @type int_cpmg: float + @keyword int_ref: The intensity of the peak in the reference spectrum. + @type int_ref: float """ if exp_type == 'cpmg':