Merged revisions 22391-22483 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk
........
r22391 | tlinnet | 2014-03-03 12:47:14 +0100 (Mon, 03 Mar 2014) | 3 lines
Added ":" to dictionary keys to match return from spin_loop in systemtest Relax_disp.test_r1rho_kjaergaard.
Regarding bug #21344, (https://gna.org/bugs/index.php?21344) - Handling of in sparse acquired R1rho dataset with missing combinations of time and spin-lock field strengths.
........
r22392 | tlinnet | 2014-03-03 12:47:25 +0100 (Mon, 03 Mar 2014) | 3 lines
Removed model 'No Rex" to be tested in systemtest Relax_disp.test_r1rho_kjaergaard.
Regarding bug #21344, (https://gna.org/bugs/index.php?21344) - Handling of in sparse acquired R1rho dataset with missing combinations of time and spin-lock field strengths.
........
r22393 | tlinnet | 2014-03-03 12:47:34 +0100 (Mon, 03 Mar 2014) | 3 lines
Aliased spins in system test Relax_disp.test_r1rho_kjaergaard.
Regarding bug #21344, (https://gna.org/bugs/index.php?21344) - Handling of in sparse acquired R1rho dataset with missing combinations of time and spin-lock field strengths.
........
r22394 | tlinnet | 2014-03-03 12:47:42 +0100 (Mon, 03 Mar 2014) | 3 lines
Set opt_func_tol = 1e-15 and opt_max_iterations = 100000 to run system test Relax_disp.test_r1rho_kjaergaard faster.
Regarding bug #21344, (https://gna.org/bugs/index.php?21344) - Handling of in sparse acquired R1rho dataset with missing combinations of time and spin-lock field strengths.
........
r22395 | tlinnet | 2014-03-03 12:47:50 +0100 (Mon, 03 Mar 2014) | 3 lines
Re-ordered code-lines in system test Relax_disp.test_r1rho_kjaergaard.
Regarding bug #21344, (https://gna.org/bugs/index.php?21344) - Handling of in sparse acquired R1rho dataset with missing combinations of time and spin-lock field strengths.
........
r22396 | tlinnet | 2014-03-03 12:48:00 +0100 (Mon, 03 Mar 2014) | 3 lines
Assigned guess values for system test Relax_disp.test_r1rho_kjaergaard.
Regarding bug #21344, (https://gna.org/bugs/index.php?21344) - Handling of in sparse acquired R1rho dataset with missing combinations of time and spin-lock field strengths.
........
r22397 | bugman | 2014-03-03 14:51:08 +0100 (Mon, 03 Mar 2014) | 5 lines
Added a section at the start of the dispersion GUI analysis tutorial about 'computation time'.
This is for the dispersion chapter of the manual.
........
r22398 | bugman | 2014-03-04 15:36:46 +0100 (Tue, 04 Mar 2014) | 6 lines
Typo fix for text in the model-free GUI auto-analysis.
The maximum iterations for the protocol was misspelled in the GUI. This was spotted by Hessam
Nasrollah.
........
r22399 | bugman | 2014-03-04 16:22:01 +0100 (Tue, 04 Mar 2014) | 6 lines
Fix for one of the frame order system tests when using the Mac OS X application binary.
The problem was that the 'shared_data' directory could not be found as it was not included in the
test_suite package __all__ list.
........
r22400 | tlinnet | 2014-03-05 07:44:22 +0100 (Wed, 05 Mar 2014) | 3 lines
Removed alias of spins in system test Relax_disp.test_r1rho_kjaergaard.
Work in progress for Bug #21344, (https://gna.org/bugs/?21344) - Handling of in sparse acquired R1rho dataset with missing combinations of time and spin-lock field strengths.
........
r22401 | tlinnet | 2014-03-05 16:34:48 +0100 (Wed, 05 Mar 2014) | 5 lines
Added fitted R1 values from paper to systemtest Relax_disp.test_r1rho_kjaergaard.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
This will be used to test the output of calculating Omega_eff, as stated in http://article.gmane.org/gmane.science.nmr.relax.devel/5148.
........
r22402 | tlinnet | 2014-03-05 16:34:50 +0100 (Wed, 05 Mar 2014) | 3 lines
Added reading of R1 values in systemtest Relax_disp.test_r1rho_kjaergaard.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22403 | tlinnet | 2014-03-05 16:34:52 +0100 (Wed, 05 Mar 2014) | 3 lines
Added full manual steps of analysis for systemtest Relax_disp.test_r1rho_kjaergaard.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22404 | tlinnet | 2014-03-05 16:43:46 +0100 (Wed, 05 Mar 2014) | 3 lines
Modified the directory sepatort from "/" to os.sep in systemtest Relax_disp.test_r1rho_kjaergaard.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22405 | bugman | 2014-03-05 17:21:13 +0100 (Wed, 05 Mar 2014) | 9 lines
Fix for bug #21754 (https://gna.org/bugs/?21754).
This is the failure of the grace.view user function on MS Windows in opening a file in qtgrace when
the path includes spaces, as reported by Mengjun Xue (mengjun dott xue att mailbox dott tu-berlin
dott de).
The fix was to run the program with the file name in double quotes.
........
r22406 | tlinnet | 2014-03-05 18:54:21 +0100 (Wed, 05 Mar 2014) | 3 lines
Commented out the commands for writing of text files and state files to speed up system test Relax_disp.test_r1rho_kjaergaard.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22407 | tlinnet | 2014-03-05 18:54:26 +0100 (Wed, 05 Mar 2014) | 3 lines
Added the testing of writing out theta values in systemtest Relax_disp.test_r1rho_kjaergaard.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22408 | tlinnet | 2014-03-05 18:54:28 +0100 (Wed, 05 Mar 2014) | 3 lines
Added param "theta" to specific_analyses/relax_disp/api.py.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22409 | tlinnet | 2014-03-05 18:54:29 +0100 (Wed, 05 Mar 2014) | 3 lines
Modified parameter py_type to dict() for the theta value.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22410 | tlinnet | 2014-03-05 18:54:31 +0100 (Wed, 05 Mar 2014) | 3 lines
Added line to write out theta values to homedir for testing purposes.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22411 | tlinnet | 2014-03-05 18:54:33 +0100 (Wed, 05 Mar 2014) | 3 lines
Added parameter "theta" do description tables.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22412 | tlinnet | 2014-03-05 18:54:34 +0100 (Wed, 05 Mar 2014) | 3 lines
Made an assertion that spin contains attribute "theta" in systemtest Relax_disp.test_r1rho_kjaergaard.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22413 | tlinnet | 2014-03-06 00:01:17 +0100 (Thu, 06 Mar 2014) | 3 lines
Removed the writiung of test file to home folder in systemtest Relax_disp.test_r1rho_kjaergaard.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22414 | tlinnet | 2014-03-06 17:11:18 +0100 (Thu, 06 Mar 2014) | 5 lines
Added unit test for return_offset_data.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
This is development according to thread http://thread.gmane.org/gmane.science.nmr.relax.devel/5157.
........
r22415 | tlinnet | 2014-03-06 17:11:20 +0100 (Thu, 06 Mar 2014) | 3 lines
Commented out the expectation of the attribute "theta" to exist in systemtest Relax_disp.test_r1rho_kjaergaard.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22416 | tlinnet | 2014-03-06 17:28:21 +0100 (Thu, 06 Mar 2014) | 3 lines
Imported return_param_key_from_data to be used in unit test return_offset_data.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22417 | bugman | 2014-03-06 17:51:41 +0100 (Thu, 06 Mar 2014) | 6 lines
The relax information printout, from "relax -i" for example, now includes detailed CPU information.
This uses operating system specific commands to obtain this information which is not available from
the platform Python module.
........
r22418 | bugman | 2014-03-06 18:09:31 +0100 (Thu, 06 Mar 2014) | 5 lines
Removed the dependence on subprocess.check_output() as this is only for Python 2.7 and higher.
This is for the relax information printout about the CPU info recently introduced.
........
r22419 | bugman | 2014-03-06 18:13:08 +0100 (Thu, 06 Mar 2014) | 3 lines
Fix for the relax information printout on Mac OS X.
........
r22420 | bugman | 2014-03-06 19:30:06 +0100 (Thu, 06 Mar 2014) | 9 lines
Fix for bug #21763 (https://gna.org/bugs/?21763).
This is the problem of the chi2 value not being visible in the parameter list of the grace.write and
value.write user functions in the GUI.
The problem was that when asking for the parameter name list, the minimisation parameters were not
being asked for.
........
r22421 | bugman | 2014-03-06 19:47:16 +0100 (Thu, 06 Mar 2014) | 6 lines
The RAM in the relax information printout is now displayed for Mac OS X.
The 'sysctl' command is now being used to retrieve the RAM size and total memory, and the swap is
calculated as the difference.
........
r22422 | bugman | 2014-03-06 21:26:52 +0100 (Thu, 06 Mar 2014) | 5 lines
Added the OMP relaxation rates and compressed PDB file to the repository.
This is to allow users to have a full data set to perform a test model-free analysis with.
........
r22423 | tlinnet | 2014-03-06 22:45:14 +0100 (Thu, 06 Mar 2014) | 5 lines
Removed import of: from specific_analyses.relax_disp.disp_data import return_param_key_from_data in unit test.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
This import is not needed.
........
r22424 | tlinnet | 2014-03-06 22:45:21 +0100 (Thu, 06 Mar 2014) | 5 lines
Added a sample_script to generate theta values for R1rho data.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
The script is explained at the wiki: http://wiki.nmr-relax.com/Sample_scripts.relax_disp.return_offset_data
........
r22425 | bugman | 2014-03-07 11:17:49 +0100 (Fri, 07 Mar 2014) | 6 lines
Created a new citation for relax which concatenates both the d'Auvergne and Gooley 2008 papers.
This is to show to those who are unaware of back-to-back paper concatenation rules how to cite both
papers using one reference, saving a lot of space.
........
r22426 | bugman | 2014-03-07 11:19:57 +0100 (Fri, 07 Mar 2014) | 3 lines
Preparatory change for the citations in the GUI.
........
r22427 | tlinnet | 2014-03-07 11:42:36 +0100 (Fri, 07 Mar 2014) | 3 lines
Added lib.rotating_frame module containing functions related to rotating frame NMR calculations.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22428 | tlinnet | 2014-03-07 11:42:43 +0100 (Fri, 07 Mar 2014) | 3 lines
Added rotating_frame to lib.__init__.py.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22429 | tlinnet | 2014-03-07 11:42:45 +0100 (Fri, 07 Mar 2014) | 3 lines
Added unittest file _lib.test_rotating_frame.py to __init__.py.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22430 | tlinnet | 2014-03-07 11:42:46 +0100 (Fri, 07 Mar 2014) | 6 lines
Added unittest file _lib.test_rotating_frame().
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
These unittest will be used to calculate and return dictionaries of tilt_angles, Delta_omega and omega_eff.
Some of the R1rho data mentioned in: http://www.nmr-relax.com/manual/Dispersion_model_summary.html.
........
r22431 | tlinnet | 2014-03-07 11:42:48 +0100 (Fri, 07 Mar 2014) | 3 lines
Added link to manual for calculating NMR parameters in the doctring for lib.rotating_frame.py.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22432 | tlinnet | 2014-03-07 11:42:50 +0100 (Fri, 07 Mar 2014) | 5 lines
Renamed function "calc_tilt_angle" to "calc_rotating_frame_params" in lib.rotating_frame.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
This is to reflect, that the function should return and store spin values of both tilt_angles, Delta_omega and omega_eff.
........
r22433 | tlinnet | 2014-03-07 11:42:51 +0100 (Fri, 07 Mar 2014) | 3 lines
Replaced with calc_rotating_frame_params in unittest, to reflect function renaming.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22434 | tlinnet | 2014-03-07 11:42:52 +0100 (Fri, 07 Mar 2014) | 3 lines
Improved docstring in lib.rotating_frame.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22435 | bugman | 2014-03-07 11:51:53 +0100 (Fri, 07 Mar 2014) | 5 lines
Rearranged the citations in the citations chapter.
The references for relax are now far more prominent.
........
r22436 | tlinnet | 2014-03-07 13:21:24 +0100 (Fri, 07 Mar 2014) | 3 lines
Implemented the return of Delta_omega = "average resonance offset in the rotating frame" in specific_analysis.relax_disp.return_offset_data.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22437 | tlinnet | 2014-03-07 13:21:28 +0100 (Fri, 07 Mar 2014) | 3 lines
Fixed unpacking of return from function calls of return_offset_data.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22438 | tlinnet | 2014-03-07 13:21:30 +0100 (Fri, 07 Mar 2014) | 3 lines
Made specific_analysis.relax_disp.return_offset_data return "w_eff" - the effective field in rotating frame in rad/s.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22439 | tlinnet | 2014-03-07 13:21:32 +0100 (Fri, 07 Mar 2014) | 3 lines
Fixed unpacking of return from function calls of return_offset_data, since w_eff is now also returned.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22440 | tlinnet | 2014-03-07 13:21:33 +0100 (Fri, 07 Mar 2014) | 5 lines
Moved calc_rotating_frame_params() to specific_analysis.relax_disp.disp_data.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
This is in a response to message: http://www.mail-archive.com/relax-devel@.../msg05080.html.
........
r22441 | tlinnet | 2014-03-07 13:21:35 +0100 (Fri, 07 Mar 2014) | 5 lines
Started unittest for _specific_analysis._relax_disp.test_disp_data.test_calc_rotating_frame_params.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
This is in response to message: http://www.mail-archive.com/relax-devel@.../msg05080.html.
........
r22442 | tlinnet | 2014-03-07 13:21:37 +0100 (Fri, 07 Mar 2014) | 5 lines
Removed lib.test_rotating_frame.py and the associated unittest.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
This is in response to http://www.mail-archive.com/relax-devel@.../msg05080.html.
........
r22443 | tlinnet | 2014-03-07 14:52:07 +0100 (Fri, 07 Mar 2014) | 3 lines
Made calc_rotating_frame_params take spin "The spin system specific data container" as input.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22444 | tlinnet | 2014-03-07 14:52:09 +0100 (Fri, 07 Mar 2014) | 3 lines
Modified calc_rotating_frame_params() to operate on the level of spin container and id.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22445 | tlinnet | 2014-03-07 14:52:10 +0100 (Fri, 07 Mar 2014) | 3 lines
Modified unittest test_calc_rotating_frame_params to use spin container and id in test.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22446 | bugman | 2014-03-08 15:59:58 +0100 (Sat, 08 Mar 2014) | 3 lines
Epydoc docstring fix for the Structure.test_bug_21522_master_record_atom_count system test.
This is for the API documentation at http://www.nmr-relax.com/api/3.1/index.html.
........
r22447 | bugman | 2014-03-08 16:00:00 +0100 (Sat, 08 Mar 2014) | 3 lines
Epydoc docstring fix for the SetValue() method of the File input GUI element.
This is for the API documentation at http://www.nmr-relax.com/api/3.1/index.html.
........
r22448 | bugman | 2014-03-08 16:00:02 +0100 (Sat, 08 Mar 2014) | 4 lines
Removed the test_suite/shared_data directory from the API documentation scanning.
This is to avoid trying to import the frame order relax scripts which cannot be imported into
Python.
........
r22449 | bugman | 2014-03-08 16:00:04 +0100 (Sat, 08 Mar 2014) | 1 line
Copyright update.
........
r22450 | tlinnet | 2014-03-12 09:29:15 +0100 (Wed, 12 Mar 2014) | 3 lines
Added epydoc information about dimensions for w_e in function return_offset_data.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22451 | tlinnet | 2014-03-12 09:29:18 +0100 (Wed, 12 Mar 2014) | 3 lines
Added verbosity flag to calc_rotating_frame_params() to allow switching of print information.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22452 | tlinnet | 2014-03-12 09:29:20 +0100 (Wed, 12 Mar 2014) | 3 lines
Added unit test for use of value.write to write theta values calculated from calc_rotating_frame_params().
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22453 | tlinnet | 2014-03-12 10:32:05 +0100 (Wed, 12 Mar 2014) | 3 lines
Extended unit test for use of value.write to write intensities file. This is to test that changing of the API function will retain its function.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22454 | tlinnet | 2014-03-12 10:32:09 +0100 (Wed, 12 Mar 2014) | 5 lines
Replaced API function in specific_analysis.relax_disp.api to calculate and return values for parameter theta() when this is requested.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
Implemented according to http://www.mail-archive.com/relax-devel@.../msg05082.html.
........
r22455 | tlinnet | 2014-03-12 11:16:55 +0100 (Wed, 12 Mar 2014) | 5 lines
Extendend API function in specific_analysis.relax_disp.api to calculate and return values for parameter theta() when this is requested.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
Implemented according to http://www.mail-archive.com/relax-devel@.../msg05082.html.
........
r22456 | tlinnet | 2014-03-12 12:04:38 +0100 (Wed, 12 Mar 2014) | 3 lines
Variable renaming and closing of files in unit test test_value_write_calc_rotating_frame_params().
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22457 | tlinnet | 2014-03-12 12:04:41 +0100 (Wed, 12 Mar 2014) | 3 lines
Extendend unit test test_value_write_calc_rotating_frame_params() to also test writing of w_eff values.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22458 | tlinnet | 2014-03-12 12:04:44 +0100 (Wed, 12 Mar 2014) | 3 lines
Fixed typo and removed grace string for parameter description of theta.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22459 | tlinnet | 2014-03-12 12:04:46 +0100 (Wed, 12 Mar 2014) | 3 lines
Added parameter 'w_eff', the effective field in rotating frame calculation to dispersion API.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22460 | tlinnet | 2014-03-12 12:04:47 +0100 (Wed, 12 Mar 2014) | 3 lines
Added handling of calculating w_eff in dispersion API.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22461 | tlinnet | 2014-03-12 12:13:09 +0100 (Wed, 12 Mar 2014) | 3 lines
Added unit to parameter description of theta and w_eff.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22462 | tlinnet | 2014-03-12 13:04:53 +0100 (Wed, 12 Mar 2014) | 3 lines
Fix for field count and added check for R1rho type in calc_rotating_frame_params().
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22463 | tlinnet | 2014-03-12 13:04:56 +0100 (Wed, 12 Mar 2014) | 3 lines
Added grace string to parameter description of theta and w_eff.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22464 | tlinnet | 2014-03-12 13:04:58 +0100 (Wed, 12 Mar 2014) | 3 lines
Fixed code duplication in relax_disp API, for calculation of theta and w_eff.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22465 | tlinnet | 2014-03-12 13:05:00 +0100 (Wed, 12 Mar 2014) | 3 lines
Removed unused lines of code in unit test test_return_offset_data().
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22466 | tlinnet | 2014-03-12 13:05:03 +0100 (Wed, 12 Mar 2014) | 3 lines
Moved unit test of value writing of calc_rotating_frame_params() into separete system tests.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22467 | tlinnet | 2014-03-12 16:14:20 +0100 (Wed, 12 Mar 2014) | 5 lines
Added systemtest Relax_disp.test_value_write_calc_rotating_frame_params_auto_analysis().
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
This is to test the auto_analysis value.write function to write theta and w_eff values for an R1rho setup.
........
r22468 | tlinnet | 2014-03-12 16:14:23 +0100 (Wed, 12 Mar 2014) | 3 lines
Added writing of parameters theta and w_eff for an auto-analysis if model in MODEL_LIST_R1RHO_FULL.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22469 | tlinnet | 2014-03-12 16:14:25 +0100 (Wed, 12 Mar 2014) | 3 lines
Added return of None values for function calc_rotating_frame_params() if spin is not selected.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22470 | tlinnet | 2014-03-12 16:14:27 +0100 (Wed, 12 Mar 2014) | 3 lines
Extended systemtest Relax_disp.test_value_write_calc_rotating_frame_params_auto_analysis() to test the writing of theta values.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22471 | tlinnet | 2014-03-12 21:25:18 +0100 (Wed, 12 Mar 2014) | 5 lines
Hardcoded the writing of R2eff as function of the tilt angle Theta, when using the function relax_disp.write_disp_curves().
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
Theta values per spin will be written if the spin.model is in the list MODEL_LIST_R1RHO_FULL.
........
r22472 | tlinnet | 2014-03-12 21:25:20 +0100 (Wed, 12 Mar 2014) | 3 lines
Fix for return of None tuble in calc_rotating_frame_params().
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22473 | tlinnet | 2014-03-12 21:25:22 +0100 (Wed, 12 Mar 2014) | 3 lines
Fix for correct use of assertNotEqual or assertEqual in Relax_disp system tests.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22474 | tlinnet | 2014-03-12 21:51:32 +0100 (Wed, 12 Mar 2014) | 5 lines
Hardcoded contents of writing of parameters theta and w_eff in systemtest Relax_disp.test_value_write_calc_rotating_frame_params_auto_analysis().
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
This is to better support testing of key ordering and different architectures, etc.
........
r22475 | tlinnet | 2014-03-13 13:25:41 +0100 (Thu, 13 Mar 2014) | 3 lines
Fixed code dublication in specific_analysis.relax_disp.disp_data.write_disp_curves().
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22476 | tlinnet | 2014-03-13 13:25:44 +0100 (Thu, 13 Mar 2014) | 3 lines
Modified systemtest of hardcoded values of theta and w_eff to match precision to 14 digits.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22477 | tlinnet | 2014-03-13 16:57:10 +0100 (Thu, 13 Mar 2014) | 5 lines
Hardcoded the writing of R2eff as function of the Effective field in rotating frame "w_eff", when using the function relax_disp.write_disp_curves().
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
Theta values per spin will be written if the spin.model is in the list MODEL_LIST_R1RHO_FULL.
........
r22478 | tlinnet | 2014-03-14 23:21:18 +0100 (Fri, 14 Mar 2014) | 5 lines
Fix for handling the writing of theta.out and w_eff.out in relax_disp auto_analysis, when model is not of R1rho type.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
This was discovered using the systemtests.
........
r22479 | tlinnet | 2014-03-14 23:21:20 +0100 (Fri, 14 Mar 2014) | 3 lines
Removed the writing out of R1rho as function of Effective field w_eff relax_disp.write_disp_curves() as this surves no purpose.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22480 | tlinnet | 2014-03-14 23:21:22 +0100 (Fri, 14 Mar 2014) | 5 lines
Fix for calculating the theta angle describing the tilted rotating frame relative to the laboratory, when omega1 / Delta_omega is negative.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
This follows discussion in: http://thread.gmane.org/gmane.science.nmr.relax.devel/5205.
........
r22481 | tlinnet | 2014-03-14 23:21:24 +0100 (Fri, 14 Mar 2014) | 5 lines
Modified unit and systemtest to reflect new calculation of rotating frame tilt angle Theta.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
This was discussed in thread: http://thread.gmane.org/gmane.science.nmr.relax.devel/5205.
........
r22482 | tlinnet | 2014-03-14 23:21:26 +0100 (Fri, 14 Mar 2014) | 3 lines
Added interpolation calculation of theta and w_eff, when dispersion points are interpolated.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
r22483 | tlinnet | 2014-03-16 20:13:27 +0100 (Sun, 16 Mar 2014) | 3 lines
Added print-out of Omega, the average resonance offset, in calc_rotating_frame_params().
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
........
