Author: tlinnet
Date: Wed Aug 13 21:30:00 2014
New Revision: 25012
URL: http://svn.gna.org/viewcvs/relax?rev=25012&view=rev
Log:
Deleted un-used script files in data folder for Kjaergaard_et_al_2013.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation
rate for the off-resonance R1rho relaxation dispersion models.
Removed:
branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_1_ini.py
branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_3_spectra_settings.py
branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_4_run.py
Removed:
branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_1_ini.py
URL:
http://svn.gna.org/viewcvs/relax/branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_1_ini.py?rev=25011&view=auto
==============================================================================
---
branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_1_ini.py
(original)
+++
branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_1_ini.py
(removed)
@@ -1,21 +0,0 @@
-"""Taken from the relax disp manual, section 10.6.1 Dispersion script mode -
the sample script.
-
-To run the script, simply type:
-
-$ ../../../../../relax rx_1_ini.py --tee log_rx_1_ini.log
-"""
-
-# Create the data pipe.
-pipe_name = 'base pipe'
-pipe_bundle = 'relax_fit'
-pipe.create(pipe_name=pipe_name, bundle=pipe_bundle, pipe_type='relax_fit')
-
-# Create the spins
-script(file='relax_2_spins.py', dir=None)
-
-# Set the spectra experimental properties/settings.
-script(file='rx_3_spectra_settings.py', dir=None)
-
-# Save the program state before run.
-# This state file will also be used for loading, before a later
cluster/global fit analysis.
-state.save('ini_setup_rx', force=True)
Removed:
branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_3_spectra_settings.py
URL:
http://svn.gna.org/viewcvs/relax/branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_3_spectra_settings.py?rev=25011&view=auto
==============================================================================
---
branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_3_spectra_settings.py
(original)
+++
branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_3_spectra_settings.py
(removed)
@@ -1,59 +0,0 @@
-# Set settings for experiment
-import os
-
-spin_locks = [0.0, 500.0, 1000.0, 2000.0, 5000.0, 10000.0]
-lock_powers = [35.0, 39.0, 41.0, 43.0, 46.0, 48.0]
-ncycs = [0, 4, 10, 14, 20, 40]
-
-# Load the experiments settings file.
-expfile = open('exp_parameters_sort.txt', 'r')
-expfileslines = expfile.readlines()
-fpipe = open('pipe_names_rx.txt', 'w')
-
-for spin_lock in spin_locks:
- for lock_power in lock_powers:
- for i in range(len(expfileslines)):
- line=expfileslines[i]
- if line[0] == "#":
- continue
- else:
- # DIRN I deltadof2 dpwr2slock ncyc trim ss sfrq
- DIRN = line.split()[0]
- I = int(line.split()[1])
- deltadof2 = float(line.split()[2])
- dpwr2slock = float(line.split()[3])
- ncyc = int(line.split()[4])
- trim = float(line.split()[5])
- ss = int(line.split()[6])
- set_sfrq = float(line.split()[7])
-
- # Calculate spin_lock time
- time_sl = 2*ncyc*trim
-
- # Define file name for peak list.
- FNAME = "%s_%s_%s_%s_max_standard.ser"%(I, int(deltadof2),
int(dpwr2slock), ncyc)
- sp_id = "%s_%s_%s_%s"%(I, int(deltadof2), int(dpwr2slock),
ncyc)
-
- if deltadof2 == spin_lock and dpwr2slock == lock_power and
ncyc == ncycs[0]:
- pipename = "%s_%s"%(int(deltadof2), int(dpwr2slock))
- pipebundle = 'relax_fit'
- pipe.copy(pipe_from='base pipe', pipe_to=pipename,
bundle_to=pipebundle)
- pipe.switch(pipe_name=pipename)
- fpipe.write("%s %s"%(pipename, pipebundle)+"\n")
-
- #print spin_lock, deltadof2, lock_power, dpwr2slock
- if deltadof2 == spin_lock and dpwr2slock == lock_power:
- # Load the peak intensities (first the backbone NH, then
the tryptophan indole NH).
- spectrum.read_intensities(file=FNAME,
dir=os.path.join(os.getcwd(), "peak_lists"), spectrum_id=sp_id,
int_method='height')
-
- # Set the relaxation times.
- relax_fit.relax_time(time=time_sl, spectrum_id=sp_id)
-
- # Set the peak intensity errors, as defined as the
baseplane RMSD.
- spectrum.baseplane_rmsd(error=1.33e+03,
spectrum_id=sp_id)
-
-
-expfile.close()
-fpipe.close()
-
-
Removed:
branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_4_run.py
URL:
http://svn.gna.org/viewcvs/relax/branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_4_run.py?rev=25011&view=auto
==============================================================================
---
branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_4_run.py
(original)
+++
branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/rx_4_run.py
(removed)
@@ -1,28 +0,0 @@
-"""Taken from the relax disp manual, section 10.6.1 Dispersion script mode -
the sample script.
-
-To run the script, simply type:
-
-$ ../../../../../relax rx_4_run.py --tee log_rx_4_run.log
-"""
-
-import os
-from auto_analyses.relax_fit import Relax_fit
-
-# Set settings for run.
-GRID_INC = 11; MC_NUM = 3
-
-# Load the initial state setup
-state.load(state='ini_setup_rx.bz2')
-
-# Load the pipe names.
-fpipe = open('pipe_names_rx.txt', 'r')
-pipenames = []
-for line in fpipe:
- pipenames.append([line.split()[0], line.split()[1]])
-fpipe.close()
-
-for pipename, pipebundle in pipenames:
- pipe.switch(pipe_name=pipename)
- results_directory = os.path.join("rx", pipename)
-
- Relax_fit(pipe_name=pipename, pipe_bundle=pipebundle, file_root='rx',
results_dir=results_directory, grid_inc=GRID_INC, mc_sim_num=MC_NUM,
view_plots=False)
r25012 - /branches/R1_fitting/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/