Author: bugman
Date: Thu Dec 5 16:49:27 2013
New Revision: 21790
URL: http://svn.gna.org/viewcvs/relax?rev=21790&view=rev
Log:
Large redesign of the R2eff/R1rho data structures.
The five indices {Ei, Si, Mi, Oi, Di} for the experiment type, the spins of
the cluster, the
magnetic field strengths, the pulse offsets, and the dispersion points
(nu_CPMG or nu1) respectively
are now much better defined. The Oi dimension is new and allows for support
of R1rho-type data
whereby both different offsets and different spin-lock field strengths.
Previously only one or the
other was supported, but not both together. The offset information is now
included as part of the
spin R2eff/R1rho key, even if not set.
To support this, the specific_analyses.relax_disp.disp_data module now has
the new functions
loop_exp_frq_offset(), loop_exp_frq_offset_point(),
loop_exp_frq_offset_point_time(),
loop_frq_offset(), loop_frq_offset_point_key(), loop_offset(), and
loop_offset_point(). All of the
{Ei, Si, Mi, Oi, Di} dispersion indices throughout the source tree have been
changed to ei, si, mi,
oi, and di respectively. And the time index ti has also been introduced.
These changes hugely
simplify the code.
Modified:
trunk/specific_analyses/relax_disp/api.py
trunk/specific_analyses/relax_disp/catia.py
trunk/specific_analyses/relax_disp/cpmgfit.py
trunk/specific_analyses/relax_disp/disp_data.py
trunk/specific_analyses/relax_disp/nessy.py
trunk/specific_analyses/relax_disp/optimisation.py
trunk/specific_analyses/relax_disp/sherekhan.py
trunk/target_functions/relax_disp.py
trunk/test_suite/shared_data/dispersion/Hansen/base_pipe.bz2
trunk/test_suite/shared_data/dispersion/Hansen/r2eff_calc.log
trunk/test_suite/shared_data/dispersion/Hansen/r2eff_pipe.bz2
trunk/test_suite/shared_data/dispersion/Hansen/r2eff_values.bz2
trunk/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/acbp_cpmg_disp_048MGuHCl_40C_041223/r2eff_pipe_trunc.bz2
trunk/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/acbp_cpmg_disp_101MGuHCl_40C_041223/r2eff_pipe_trunc.bz2
trunk/test_suite/shared_data/dispersion/Sprangers_ClpP/base_pipe.bz2
trunk/test_suite/shared_data/dispersion/Sprangers_ClpP/r2eff_calc.log
trunk/test_suite/shared_data/dispersion/Sprangers_ClpP/r2eff_values.bz2
trunk/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_calc.log
trunk/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_values.bz2
trunk/test_suite/system_tests/relax_disp.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: trunk/specific_analyses/relax_disp/api.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/api.py?rev=21790&r1=21789&r2=21790&view=diff
Modified: trunk/specific_analyses/relax_disp/catia.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/catia.py?rev=21790&r1=21789&r2=21790&view=diff
Modified: trunk/specific_analyses/relax_disp/cpmgfit.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/cpmgfit.py?rev=21790&r1=21789&r2=21790&view=diff
Modified: trunk/specific_analyses/relax_disp/disp_data.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/disp_data.py?rev=21790&r1=21789&r2=21790&view=diff
Modified: trunk/specific_analyses/relax_disp/nessy.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/nessy.py?rev=21790&r1=21789&r2=21790&view=diff
Modified: trunk/specific_analyses/relax_disp/optimisation.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/optimisation.py?rev=21790&r1=21789&r2=21790&view=diff
Modified: trunk/specific_analyses/relax_disp/sherekhan.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/sherekhan.py?rev=21790&r1=21789&r2=21790&view=diff
Modified: trunk/target_functions/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/target_functions/relax_disp.py?rev=21790&r1=21789&r2=21790&view=diff
Modified: trunk/test_suite/shared_data/dispersion/Hansen/base_pipe.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/Hansen/base_pipe.bz2?rev=21790&r1=21789&r2=21790&view=diff
Modified: trunk/test_suite/shared_data/dispersion/Hansen/r2eff_calc.log
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/Hansen/r2eff_calc.log?rev=21790&r1=21789&r2=21790&view=diff
Modified: trunk/test_suite/shared_data/dispersion/Hansen/r2eff_pipe.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/Hansen/r2eff_pipe.bz2?rev=21790&r1=21789&r2=21790&view=diff
Modified: trunk/test_suite/shared_data/dispersion/Hansen/r2eff_values.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/Hansen/r2eff_values.bz2?rev=21790&r1=21789&r2=21790&view=diff
Modified:
trunk/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/acbp_cpmg_disp_048MGuHCl_40C_041223/r2eff_pipe_trunc.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/acbp_cpmg_disp_048MGuHCl_40C_041223/r2eff_pipe_trunc.bz2?rev=21790&r1=21789&r2=21790&view=diff
Modified:
trunk/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/acbp_cpmg_disp_101MGuHCl_40C_041223/r2eff_pipe_trunc.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/acbp_cpmg_disp_101MGuHCl_40C_041223/r2eff_pipe_trunc.bz2?rev=21790&r1=21789&r2=21790&view=diff
Modified: trunk/test_suite/shared_data/dispersion/Sprangers_ClpP/base_pipe.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/Sprangers_ClpP/base_pipe.bz2?rev=21790&r1=21789&r2=21790&view=diff
Modified:
trunk/test_suite/shared_data/dispersion/Sprangers_ClpP/r2eff_calc.log
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/Sprangers_ClpP/r2eff_calc.log?rev=21790&r1=21789&r2=21790&view=diff
Modified:
trunk/test_suite/shared_data/dispersion/Sprangers_ClpP/r2eff_values.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/Sprangers_ClpP/r2eff_values.bz2?rev=21790&r1=21789&r2=21790&view=diff
Modified:
trunk/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_calc.log
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_calc.log?rev=21790&r1=21789&r2=21790&view=diff
Modified:
trunk/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_values.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/r1rho_off_res_tp02/r2eff_values.bz2?rev=21790&r1=21789&r2=21790&view=diff
Modified: trunk/test_suite/system_tests/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=21790&r1=21789&r2=21790&view=diff
r21790 - in /trunk: specific_analyses/relax_disp/ target_functions/ test_suite/shared_data/dispersion/Hansen/ test_suite/sha...