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Switch to the {{relax developer link}} template to remove dead Gna! links.
* Renamed system test test_r1rho_kjaergaard to test_r1rho_kjaergaard_auto. This corresponds to the use of the automatic analysis method. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Split system test test_r1rho_kjaergaard into test_r1rho_kjaergaard_auto and test_r1rho_kjaergaard_man. This is to test use of the manual way to analyse. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Modified all of [https://gna.org/users/{{relax developer link|username=tlinnet |text=Troels'] }} dispersion profiling scripts to work with older relax versions. This is in preparation for obtaining some powerful timing statistics. The calls to the r2eff_*() functions are unnecessary and are the only failure point in the scripts between the current code in the disp_spin_speed branch and trunk or older versions of relax. So these function calls have been eliminated.
* Implemented system test test_r1rho_kjaergaard_missing_r1, for safety check if R<sub>1</sub> data is not loaded. The system test passes, so target function is safe. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Python 3 support for the dispersion profiling scripts. The xrange() builtin function does not exist in Python 3, so this is now aliased to range() which is the same thing.
* Replaced double or triple hash-tags "##" with single hash-tags "#". [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Copyright fixes for all the models, where [https://gna.org/users/{{relax developer link|username=tlinnet |text=Troels E. Linnet] }} have made changes to make them functional for higher dimensional data. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].* Copyright fix for model [[TSMFK01]]. [https://gna.org/users/{{relax developer link|username=semor |text=Sebastien Morin] }} did not take part of implementing the [[TSMFK01]] model. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Created a super script for profiling the relaxation dispersion models. This script will execute all of the current profiling scripts in the directory test_suite/shared_data/dispersion/profiling for both the current version of relax and any other specified version (current set to the [[relax 3.2.2|3.2.2 relax]] tag). It will run the scripts and relax versions interleaved N=10 times and extract the func_*() target function call profile timings. This interleaving makes the numbers much more consistent. Averages and standard deviations are then calculated, as well as the speed up between the two relax versions. The results are printed out in a format suitable for the relax release messages.
* Increased the number of iterations to 1000 in all of the profiling scripts. This is for better statistics in the disp_profile_all.py script, and makes the number consistent between the different models.
* Unit test fix for Mac OS X. This is for the test_ns_mmq_2site_korzhnev_2005_15n_dq_data_complex128 test of test_suite.unit_tests._lib._dispersion.test_matrix_exponential.Test_matrix_exponential. The tests no longer check for exact values, but use the assertAlmostEqual() calls instead.
* Deleted the ancient optimisation_testing.py development script, as this no longer works and is of no use.
* Implemented the pipe_control.mol_res_spin.format_info_full() function. This follows from http://thread.gmane.org/gmane.science.nmr.relax.scm/22522/focus=6534. This is a verbose representation of the spin information which can be used for presenting to the user. Functions for shorter string versions will also be of great use, for example as described by [https://gna.org/users/{{relax developer link|username=tlinnet |text=Troels] }} at http://thread.gmane.org/gmane.science.nmr.relax.scm/22522/focus=6535.
* Created a unit test for the pipe_control.mol_res_spin.format_info_full() function. This comprehensive test covers all input argument combinations.
* Changed the behaviour of the pipe_control.structure.mass.pipe_centre_of_mass() function. This function returns the CoM and optionally the mass of the structural data loaded into the current data pipe. However it was matching the structural data to the molecule-residue-spin data structure and skipping spins that were deselected. This illogical deselection part has been eliminated, as spins can be deselected for various analysis purposes and this should not change the CoM. The deletion also significantly speeds up the function.
