bugrelax - Bugs: bug #21763, The chi2 value is not visible in...

 
 
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bug #21763: The chi2 value is not visible in the parameter list of the grace.write and value.write user functions in the GUI.

Submitted by:  Edward d Auvergne <bugman>
Submitted on:  Thu 06 Mar 2014 06:21:40 PM UTC  
 
Category: GUISpecific analysis category: None
Priority: 5 - NormalSeverity: 3 - Normal
Status: FixedAssigned to: Edward d Auvergne <bugman>
Originator Name: Open/Closed: Closed
Release: 3.1.6Operating System: All systems

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Tue 18 Mar 2014 03:55:39 PM UTC, SVN revision 22503:

Merged revisions 22391-22483 via svnmerge from
svn+ssh://bugman@svn.gna.org/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@gna.org/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@gna.org/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@gna.org/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@gna.org/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@gna.org/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.

[...]........

[...]

[...]

(Browse SVN revision 22503)

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.
Thu 06 Mar 2014 06:26:21 PM UTC, comment #1:

This also affects the value.copy, value.display, value.read, and value.set user functions.

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.
Thu 06 Mar 2014 06:21:40 PM UTC, original submission:

None of the minimisation statistic parameters are visible in the GUI. This is for the grace.write and value.write user functions, but it may affect others as well. These two user functions support the output of the chi2 value, as is often used in the prompt/script mode, but in the GUI this is not possible.

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.

 

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    Date Changed By Updated Field Previous Value => Replaced By
    Thu 06 Mar 2014 06:30:13 PM UTCbugmanStatusIn Progress=>Fixed
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    Thu 06 Mar 2014 06:26:30 PM UTCbugmanStatusNone=>In Progress
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    Thu 06 Mar 2014 06:21:41 PM UTCbugmanCarbon-Copy-=>Added nasrollah"
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