bugrelax - Bugs: bug #21754, Failure of the grace.view user...

 
 
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bug #21754: Failure of the grace.view user function on MS Windows in opening a file in qtgrace when the path includes spaces.

Submitted by:  None
Submitted on:  Tue 04 Mar 2014 07:55:34 PM UTC  
 
Category: GUISpecific analysis category: None
Priority: 5 - NormalSeverity: 3 - Normal
Status: FixedAssigned to: Edward d Auvergne <bugman>
Originator Name: Originator Email: -unavailable-
Open/Closed: ClosedRelease: 3.1.5
Operating System: Microsoft Windows

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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.
Wed 05 Mar 2014 11:59:44 AM UTC, comment #3:

It is essential that the user has dowloaded the correct qtgrace from

http://sourceforge.net/projects/qtgrace/files/

It should be the:
qtgrace_windows_binary_XXX.zip

since this contains the
/bin/qtgrace.exe

Troels E. Linnet <tlinnet>
Project Member
Wed 05 Mar 2014 11:57:34 AM UTC, comment #2:

A feature would be to let relax trying executing xmgrace with:

xmgrace
qtgrace
ggrace

Troels E. Linnet <tlinnet>
Project Member
Wed 05 Mar 2014 11:45:52 AM UTC, comment #1:

The .agr file opens fine in xmgrace linux.

Troels E. Linnet <tlinnet>
Project Member
Tue 04 Mar 2014 07:55:34 PM UTC, original submission:

Hi Edward,

Thank you very much for your suggestion. As you suggested, I have started
grace.view user function under Relax Gui, and select qtgrace.exe file and
intensities.agr file, but a error occurs:

[Error] Can't stat file C:\Program
[Error] Can't stat file Files\relax-3.1.5\grace\intensities.agr

Please find the intensities.agr file (which include 3 residues for test) in
the attachment. Thank you.

With best regards,

Mengjun Xue

Anonymous

 

(Note: upload size limit is set to 1024 kB, after insertion of the required escape characters.)

Attach File(s):
   
   
Comment:
   

Attached Files
file #20259:  intensities.agr added by None (3kB - application/octet-stream)

 

Depends on the following items: None found

Items that depend on this one: None found

 

Carbon-Copy List
  • -unavailable- added by bugman (Updated the item)
  • -unavailable- added by tlinnet (Posted a comment)
  • -unavailable- added by None (Submitted the item)
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    Follow 8 latest changes.

    Date Changed By Updated Field Previous Value => Replaced By
    Wed 05 Mar 2014 04:21:31 PM UTCbugmanStatusConfirmed=>Fixed
      Assigned toNone=>bugman
      Open/ClosedOpen=>Closed
    Wed 05 Mar 2014 03:38:17 PM UTCbugmanSummaryqtgrace=>Failure of the grace.view user function on MS Windows in opening a file in qtgrace when the path includes spaces.
    Wed 05 Mar 2014 03:37:22 PM UTCbugmanSpecific analysis categoryRelaxation curve-fitting=>None
    Wed 05 Mar 2014 03:37:11 PM UTCbugmanStatusNone=>Confirmed
    Wed 05 Mar 2014 03:37:07 PM UTCbugmanOperating System32-bit MS Windows=>Microsoft Windows
    Tue 04 Mar 2014 07:55:35 PM UTCNoneAttached File-=>Added intensities.agr, #20259
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