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sr #3121: Support request for replacing space in header files for the value.write functions

Submitted by:  Troels E. Linnet <tlinnet>
Submitted on:  Wed 19 Feb 2014 03:32:39 PM UTC  
 
Category: Feature requestPriority: 5 - Normal
Severity: 1 - WishStatus: Done
Assigned to: Troels E. Linnet <tlinnet>Open/Closed: Closed
Operating System: None

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(Jump to the original submission Jump to the original submission)

Wed 20 Aug 2014 01:56:02 PM UTC, SVN revision 25095:

Merged revisions 25082-25094 via svnmerge from
svn+ssh://bugman@svn.gna.org/svn/relax/trunk

........
r25082 | tlinnet | 2014-08-19 17:14:05 +0200 (Tue, 19 Aug 2014) | 3 lines

Implemented the function, which translates how parameters are copied from a nested model in the auto_analyses for relax_disp.

This makes it possible to test the translating code, and makes logic clearer in the auto_analyses.
........
r25083 | tlinnet | 2014-08-19 17:14:07 +0200 (Tue, 19 Aug 2014) | 1 line

Renamed the class to big letter, and removed unnecessary code.
........
r25084 | bugman | 2014-08-19 17:33:19 +0200 (Tue, 19 Aug 2014) | 5 lines

Modified the r1rho_off_res_tp02_high_kex dispersion test data.

The kex value is now set to 2e5.
........
r25085 | bugman | 2014-08-19 18:26:38 +0200 (Tue, 19 Aug 2014) | 6 lines

Removed the 'DPL94 R1 fit' model nesting from the table in the dispersion chapter of the manual.

This was identified using the dispersion test suite data script print_model_info/print_model_info.py
(http://thread.gmane.org/gmane.science.nmr.relax.scm/22823).
........
r25086 | tlinnet | 2014-08-19 18:43:02 +0200 (Tue, 19 Aug 2014) | 7 lines

Added to systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1 to check, that values are not None when writing .out files.

This is related to:
https://gna.org/support/index.php?3121
sr #3121: Support request for replacing space in header files for the value.write functions

The fix for this bug, destroyed getting the values.
........
r25087 | tlinnet | 2014-08-19 18:43:07 +0200 (Tue, 19 Aug 2014) | 7 lines

Fix for earlier bug fix destroyed functionality.

Altering the data-keys to early, meant that data was not fetched correctly.

This is related to:
https://gna.org/support/index.php?3121
sr #3121: Support request for replacing space in header files for the value.write functions
........
r25088 | tlinnet | 2014-08-20 13:56:47 +0200 (Wed, 20 Aug 2014) | 3 lines

Moved the unit test of specific_analyses.relax_disp.checks.check_missing_r1() from a unit test to a system test.

[...] This is because the unit test involved several functions of relax.

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

[...] r25089 | tlinnet | 2014-08-20 13:56:50 +0200 (Wed, 20 Aug 2014) | 1 line

[...]

[...] Inserted dictionary, that will convert a R1rho off-resonance without R1, to the corresponding model which fit R1.

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

[...] r25090 | tlinnet | 2014-08-20 13:56:52 +0200 (Wed, 20 Aug 2014) | 1 line

[...]

[...] Inserted to the check of missing R1, that MODEL_NOREX_R1RHO also dependends on R1.

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

[...] r25091 | tlinnet | 2014-08-20 13:56:54 +0200 (Wed, 20 Aug 2014) | 2 lines

[...]

[...] Implemented function that determine if any model in the list of all models should be replaced or inserted as the correct 'No Rex' model.

[...] It also translate the R1rho off-resonance model to the corresponding 'R1 fit' models, if R1 is not loaded.

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

[...] r25092 | tlinnet | 2014-08-20 13:56:56 +0200 (Wed, 20 Aug 2014) | 2 lines

[...]

[...] Inserted system test Relax_disp.test_convert_no_rex_fit_r1, which test the return

[...] for the function that will determine if models self.models in the relax_disp should be translated/corrected.

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

[...] r25093 | tlinnet | 2014-08-20 14:03:46 +0200 (Wed, 20 Aug 2014) | 3 lines

[...]

[...] Fix for unit test, where the standard value of R1 was lowered from 5.0 to 2.0.

[...]

[...] Also fixed an import error in another unit test.

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

[...] r25094 | bugman | 2014-08-20 14:28:35 +0200 (Wed, 20 Aug 2014) | 5 lines

[...]

[...] Minimised the dependencies of the version module.

[...]

[...] This no longer relies on the dep_check module.

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

[...]

[...]

(Browse SVN revision 25095)

Edward d Auvergne <bugman>
Project Administrator
Tue 19 Aug 2014 04:43:07 PM UTC, SVN revision 25087:

Fix for earlier bug fix destroyed functionality.

Altering the data-keys to early, meant that data was not fetched correctly.

This is related to:
https://gna.org/support/index.php?3121
sr #3121: Support request for replacing space in header files for the value.write functions

(Browse SVN revision 25087)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Tue 19 Aug 2014 04:43:03 PM UTC, SVN revision 25086:

Added to systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1 to check, that values are not None when writing .out files.

This is related to:
https://gna.org/support/index.php?3121
sr #3121: Support request for replacing space in header files for the value.write functions

The fix for this bug, destroyed getting the values.

(Browse SVN revision 25086)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Tue 19 Aug 2014 02:55:00 PM UTC, comment #5:

It seems, that something is broken when writing out files.

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Tue 19 Aug 2014 02:52:48 PM UTC, SVN revision 25081:

Merged revisions 24873-24875,24880-24883,24890,24892-24893,24895-24915,25019-25080 via svnmerge from
svn+ssh://bugman@svn.gna.org/svn/relax/trunk

................
r24873 | bugman | 2014-07-31 14:32:47 +0200 (Thu, 31 Jul 2014) | 7 lines

Added Andy Baldwin's 2013 R1rho relaxation dispersion model to the manual.

The model has been added to the table of dispersion models and to the dispersion software comparison
table of the dispersion chapter of the manual. The citation has also been added to the
bibliography.
................
r24874 | bugman | 2014-07-31 14:36:10 +0200 (Thu, 31 Jul 2014) | 3 lines

The B13 dispersion model is now properly added to the software comparison table.
................
r24875 | bugman | 2014-07-31 14:36:31 +0200 (Thu, 31 Jul 2014) | 3 lines

Added the 'B13' and 'B13 full' dispersion models to the to do section of the manual.
................
r24880 | bugman | 2014-07-31 15:13:18 +0200 (Thu, 31 Jul 2014) | 3 lines

Standardisation of the author names in the bibliography of the relax manual.
................
r24881 | bugman | 2014-07-31 15:36:28 +0200 (Thu, 31 Jul 2014) | 3 lines

Added links for the B13 model to https://gna.org/support/?3155 in the manual.
................
r24882 | bugman | 2014-07-31 15:47:01 +0200 (Thu, 31 Jul 2014) | 3 lines

Expansion of the 'to do' section of the dispersion chapter of the manual.
................
r24883 | bugman | 2014-07-31 15:50:03 +0200 (Thu, 31 Jul 2014) | 3 lines

Editing of the 'to do' section of the dispersion chapter of the manual.
................
r24890 | bugman | 2014-07-31 18:07:43 +0200 (Thu, 31 Jul 2014) | 3 lines

Initialized merge tracking via "svnmerge" with revisions "1-24672" from
svn+ssh://bugman@svn.gna.org/svn/relax/branches/r1rho_plotting
................
r24892 | bugman | 2014-07-31 18:14:28 +0200 (Thu, 31 Jul 2014) | 733 lines

Merged revisions 24744-24750,24758-24777,24780-24782,24785-24786,24789-24795,24811-24813,24824-24831,24844-24849,24851-24856,24858-24865,24868-24872,24876-24879,24884-24887,24889,24891 via svnmerge from
svn+ssh://bugman@svn.gna.org/svn/relax/branches/r1rho_plotting

........
r24744 | tlinnet | 2014-07-25 13:59:22 +0200 (Fri, 25 Jul 2014) | 6 lines

Split out the interpolating in specific_analyses.relax_disp.data.plot_disp_curves() into separate function.

[...] This is to prepare for a interpolating function for spin-lock offset rather than spin-lock field strength for R1rho models.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24745 | tlinnet | 2014-07-25 13:59:24 +0200 (Fri, 25 Jul 2014) | 4 lines

[...]

[...] Split out the looping over frequency and offset into its own function, in function of specific_analysis.relax_disp.data.plot_disp_curves().

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24746 | tlinnet | 2014-07-25 13:59:26 +0200 (Fri, 25 Jul 2014) | 6 lines

[...]

[...] Split out the writing of dispersion graph files in specific_analyses.relax_disp.data.plot_disp_curves().

[...]

[...] This is to prepare for a stand-alone function to plot R1rho graphs, interpolating theta through spin-lock offset rather than spin-lock field strength.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24747 | tlinnet | 2014-07-25 13:59:28 +0200 (Fri, 25 Jul 2014) | 4 lines

[...]

[...] Fix for function calling and default values of None in sup-plotting functions.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24748 | tlinnet | 2014-07-25 13:59:30 +0200 (Fri, 25 Jul 2014) | 7 lines

[...]

[...] Large extension of specific_analyses.relax_disp.data(), by adding several helper plotting functions.

[...]

[...] This is to prepare for plotting R1rho R2 as function of effective field in rotating frame: w_eff.

[...] R_2 = R1rho / sin^2(theta) - R_1 / tan^2(theta) = (R1rho - R_1 * cos^2(theta) ) / sin^2(theta)

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24749 | tlinnet | 2014-07-25 13:59:32 +0200 (Fri, 25 Jul 2014) | 4 lines

[...]

[...] Extended specific_analyses.relax_disp.optimisation.back_calc_r2eff() to handle interpolated spin-lock offset values.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24750 | tlinnet | 2014-07-25 13:59:33 +0200 (Fri, 25 Jul 2014) | 4 lines

[...]

[...] Removed a wrong adding of empty offset dimension in the get_back_calc() function of target_functions.relax_disp().

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24758 | tlinnet | 2014-07-25 17:50:24 +0200 (Fri, 25 Jul 2014) | 10 lines

[...]

[...] Added the the back_calculated R_2 as function of effective field in rotating frame: w_eff.

[...]

[...] R1rho R_2 is defined as:

[...] R_2 = R1rho / sin^2(theta) - R_1 / tan^2(theta) = (R1rho - R_1 * cos^2(theta) ) / sin^2(theta)

[...]

[...] This is described more at:

[...] http://wiki.nmr-relax.com/DPL94#Equation_-_re-writed_forms

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24759 | tlinnet | 2014-07-25 17:50:27 +0200 (Fri, 25 Jul 2014) | 16 lines

[...]

[...] Added an intermediate attempt to show the back_calculated data in the graph for R1rho R2 as function of the effective field in rotating frame: w_eff.

[...]

[...] The graph is aiming for the representation of Figure 2 in Kjaergaard et al 2013. (http://dx.doi.org/10.1021/bi4001062).

[...] The figure can be seen at https://gna.org/support/download.php?file_id=20208.

[...]

[...] It becomes clear, that it is not neccessary interpolate through the spin-lock offset, but it is suffucient to interpolate through the spin-lock field strengths.

[...] The necessary step was the extraction of the effective effective field in rotating frame, w_eff.

[...]

[...] In earlier attempt is shown at:

[...] http://wiki.nmr-relax.com/File:Matplotlib_52_N_R1_rho_R2eff_w_eff.png

[...]

[...] This though show lines for 6 offset values.

[...] The question is how to show the single line of interpolation.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24760 | tlinnet | 2014-07-25 17:50:28 +0200 (Fri, 25 Jul 2014) | 4 lines

[...]

[...] Added NMR library function to convert the given frequency from rad/s to ppm units.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24761 | tlinnet | 2014-07-25 17:50:30 +0200 (Fri, 25 Jul 2014) | 4 lines

[...]

[...] Hard-coded restriction of R1rho extra plotting to model DPL94, TP02, TAP03, MP05, NS_R1RHO_2SITE.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24762 | tlinnet | 2014-07-25 17:50:33 +0200 (Fri, 25 Jul 2014) | 4 lines

[...]

[...] Fix for sending the correct data structures to target function, and fix for the spin index which is always zero in graph production.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24763 | tlinnet | 2014-07-25 18:23:24 +0200 (Fri, 25 Jul 2014) | 4 lines

[...]

[...] Moved the file_name creation out of the interpolate function, to make it a general function for interpolating.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24764 | tlinnet | 2014-07-25 18:23:27 +0200 (Fri, 25 Jul 2014) | 12 lines

[...]

[...] Made both interploation functions of the spin-lock field strength and spin-?\195?\131lock offset return the offset data.

[...]

[...] This is make it possible to switch between the interpolating functions, when plotting R1rho graphs.

[...]

[...] This is necessary to produce the R2 as function of effective field in rotating frame w_eff, and to produce

[...] R1rho as function of theta, when ramping the spin-lock offset.

[...]

[...] These graphs can be seen at:

[...] http://wiki.nmr-relax.com/Matplotlib_DPL94_R1rho_R2eff

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24765 | tlinnet | 2014-07-25 20:56:37 +0200 (Fri, 25 Jul 2014) | 4 lines

[...]

[...] Changed interpolation function from offset to spin lock field strength, to plot R1rho R2 as function of effective field.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24766 | tlinnet | 2014-07-25 20:56:40 +0200 (Fri, 25 Jul 2014) | 6 lines

[...]

[...] Inverted the input to atan2() function in specific_analyses/relax_disp/data.py.

[...]

[...] This has no influence on the system tests.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24767 | tlinnet | 2014-07-25 20:56:42 +0200 (Fri, 25 Jul 2014) | 4 lines

[...]

[...] Changes to the writing out of theta, and its corresponding systemtest after swithching the input to atan2().

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24768 | tlinnet | 2014-07-25 21:01:47 +0200 (Fri, 25 Jul 2014) | 25 lines

[...]

[...] Reverted r24767 and 24766 as this was fatal systemtest Relax_disp.test_r1rho_kjaergaard_man().

[...]

[...] The model "No Rex" would be selected instead of "DPL94", after the change.

[...]

[...] The command used was:

[...] svn merge -r24767:r24765 .

[...]

[...] .....

[...] r24767 | tlinnet | 2014-07-25 20:56:42 +0200 (Fri, 25 Jul 2014) | 4 lines

[...]

[...] Changes to the writing out of theta, and its corresponding systemtest after swithching the input to atan2().

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

[...] ------------------------------------------------------------------------

[...] r24766 | tlinnet | 2014-07-25 20:56:40 +0200 (Fri, 25 Jul 2014) | 6 lines

[...]

[...] Inverted the input to atan2() function in specific_analyses/relax_disp/data.py.

[...]

[...] This has no influence on the system tests.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

[...] .....

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

[...] r24769 | tlinnet | 2014-07-26 13:33:52 +0200 (Sat, 26 Jul 2014) | 4 lines

[...]

[...] Improved axis label for plotting R1rho R2 as function of effective field w_eff.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24770 | tlinnet | 2014-07-26 13:33:58 +0200 (Sat, 26 Jul 2014) | 6 lines

[...]

[...] Added sub-title to the plot of R1rho R2 as function of effective field.

[...]

[...] This is to add information about how the effective field has been interpolated.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24771 | tlinnet | 2014-07-26 13:34:03 +0200 (Sat, 26 Jul 2014) | 9 lines

[...]

[...] Added functionality to plot R1rho R2 as function of effective field w_eff, for the R2eff model.

[...]

[...] Also renamed a function, to better reflect is functionality.

[...]

[...] The hard-coding of which models to plot, has been removed.

[...] If the exp-type is R1rho, then the plotting will commence.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24772 | tlinnet | 2014-07-26 13:34:09 +0200 (Sat, 26 Jul 2014) | 6 lines

[...]

[...] Added the spin specific residue name and spin_id to the title of the dispersion plots.

[...]

[...] This is handy, since it is often of interest to have this information at hand, when looking through many graphs.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24773 | tlinnet | 2014-07-26 13:34:13 +0200 (Sat, 26 Jul 2014) | 4 lines

[...]

[...] Renamed and improved epydoc information for interpolating fucntion for dispersion values.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24774 | tlinnet | 2014-07-26 13:34:18 +0200 (Sat, 26 Jul 2014) | 4 lines

[...]

[...] Renamed the interpolating function for offset, and improved the epydoc information.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24775 | tlinnet | 2014-07-26 13:34:24 +0200 (Sat, 26 Jul 2014) | 6 lines

[...]

[...] Corrected the epydoc information for the return_offset_data() function in specific_analyses.relax_disp.data.

[...]

[...] The function has been extended to return more data.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24776 | tlinnet | 2014-07-26 13:34:29 +0200 (Sat, 26 Jul 2014) | 6 lines

[...]

[...] Renamed function to represent the functionality of returning data in correct xmgrace form.

[...]

[...] Also improved the epydoc information, for the return of values.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24777 | tlinnet | 2014-07-26 13:34:35 +0200 (Sat, 26 Jul 2014) | 6 lines

[...]

[...] Renamed the other function to represent the functionality of returning data in correct xmgrace form.

[...]

[...] Also improved the epydoc information, for the return of values.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24780 | tlinnet | 2014-07-28 12:56:51 +0200 (Mon, 28 Jul 2014) | 6 lines

[...]

[...] Added function to calculate rotating frame paramters for lib/nmr.py.

[...]

[...] This function is called several times in specific_analyses/relax_disp/data.py by plotting functions.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24781 | tlinnet | 2014-07-28 12:56:55 +0200 (Mon, 28 Jul 2014) | 4 lines

[...]

[...] Replaced repeated calculation of rotating frame parameters to use function in lib/nmr.py.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24782 | tlinnet | 2014-07-28 12:56:56 +0200 (Mon, 28 Jul 2014) | 6 lines

[...]

[...] Skip production of plotting r1rho r2 as function of effective field w_eff, when spin.isotope is not present.

[...]

[...] This can happen when it is 'exp_fit' model curve fitting.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24785 | tlinnet | 2014-07-28 15:56:54 +0200 (Mon, 28 Jul 2014) | 6 lines

[...]

[...] Added functionality to function to accept how the first part of the filename is formed.

[...]

[...] This is to prepare to re-use the same plotting function.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24786 | tlinnet | 2014-07-28 15:56:57 +0200 (Mon, 28 Jul 2014) | 8 lines

[...]

[...] Renamed plotting sub function, to accept different file name arguments, and X-axis arguments.

[...]

[...] This is to reuse the sub-plot function to plot against different x-axis.

[...]

[...] Added plot of R1rho as function of theta, where interpolated against spin-lock field strenght.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24789 | tlinnet | 2014-07-29 10:24:51 +0200 (Tue, 29 Jul 2014) | 4 lines

[...]

[...] Prepared flag, to tell which data type to interpolate through.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24790 | tlinnet | 2014-07-29 10:24:53 +0200 (Tue, 29 Jul 2014) | 4 lines

[...]

[...] Preparation to interpolate through the offset to plot R1rho as function of theta, interpolated through spin-lock offset.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24791 | tlinnet | 2014-07-29 10:24:55 +0200 (Tue, 29 Jul 2014) | 4 lines

[...]

[...] Added graph functionality, to plot R1rho as function of theta, when spin-lock offset is interpolated.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24792 | tlinnet | 2014-07-29 10:24:57 +0200 (Tue, 29 Jul 2014) | 8 lines

[...]

[...] Ensured production of plotting r1rho r2 as function of effective field w_eff, when spin.isotope is not present.

[...]

[...] The offset in radians would be set to 0.0 instead.

[...]

[...] This can happen when it is 'exp_fit' model curve fitting.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24793 | tlinnet | 2014-07-29 10:24:59 +0200 (Tue, 29 Jul 2014) | 4 lines

[...]

[...] Added function to return spin info, and a function to return a spin string for graphs.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24794 | tlinnet | 2014-07-29 10:25:01 +0200 (Tue, 29 Jul 2014) | 4 lines

[...]

[...] Replaced the spin info string in the title of graphs, with the new function method.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24795 | tlinnet | 2014-07-29 10:25:04 +0200 (Tue, 29 Jul 2014) | 10 lines

[...]

[...] Added keywords to be used to backend function of ?\195?\131plot_disp_curves.

[...]

[...] The keyword 'y_axis', determine which y data to be plotted on this axis.

[...] The keyword 'x_axis', determine which x data to be plotted on this axis.

[...] extend_hz, determine how far to extend interpolated CPMG frequency or spin-?\195?\131lock field strenght.

[...] extend_ppm, determine how far to extend interpolated spin-lock offsets.

[...] interpolate, determine to interpolate dispersion points, or offset.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24811 | tlinnet | 2014-07-29 16:33:35 +0200 (Tue, 29 Jul 2014) | 6 lines

[...]

[...] Made the plotting function uniform into accepting both CPMG and R1rho data.

[...]

[...] Also made a function to return data, depending if it is data, back calculated, interpolated or residual.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24812 | tlinnet | 2014-07-29 16:33:37 +0200 (Tue, 29 Jul 2014) | 4 lines

[...]

[...] Renamed return grace data function, to a better shorter name.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24813 | tlinnet | 2014-07-29 16:33:39 +0200 (Tue, 29 Jul 2014) | 4 lines

[...]

[...] Renamed the other return grace data function, to a better shorter name.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24824 | tlinnet | 2014-07-30 12:52:58 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Hardcoded xmgrace colour_order, and made function to return data label, and data plot settings, depending on data type.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24825 | tlinnet | 2014-07-30 12:53:00 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Renamed plotting function to represent the function of writing to file.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24826 | tlinnet | 2014-07-30 12:53:02 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Removed unused plotting function.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24827 | tlinnet | 2014-07-30 12:53:04 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Fix for output catching after re-order or return_offset_data() function.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24828 | tlinnet | 2014-07-30 13:09:31 +0200 (Wed, 30 Jul 2014) | 16 lines

[...]

[...] Reverted r24827 as this was two commits mixed up.

[...]

[...] The command used was:

[...] svn merge -r24827:r24826 .

[...]

[...] .....

[...] ------------------------------------------------------------------------

[...] r24827 | tlinnet | 2014-07-30 12:53:04 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Fix for output catching after re-order or return_offset_data() function.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

[...] ------------------------------------------------------------------------

[...] .....

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

[...] r24829 | tlinnet | 2014-07-30 13:30:27 +0200 (Wed, 30 Jul 2014) | 11 lines

[...]

[...] Streamlined plotting functions, to have similar input.

[...]

[...] Reordered the output from return_offset_data(), interpolate_disp() and interpolate_offset(), to reflect the order of data type.

[...] Made the input to return_grace_data_vs_disp(), return_grace_data_vs_offset the same().

[...] Added the interpolate flag to return_grace_data_vs_disp() and return_grace_data_vs_offset(), to help return correct X-value.

[...] Added the interpolate flag to return_x_y_point(), to help determine if "disp point" or "offset point" should be returned.

[...] Added the "offset point" to return_x_y_point() function, to make it possible to plot against offset.

[...] Cleaned up the return_grace_data_vs_offset() function, to use newly created return_x_y_labels() function.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24830 | tlinnet | 2014-07-30 13:30:29 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Fix for output catching after re-order or return_offset_data() function.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24831 | tlinnet | 2014-07-30 13:30:31 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Removed un-used return_grace_data..() function.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24844 | tlinnet | 2014-07-30 18:07:34 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Made uniform function for returning x_axis and y_axis labels for xmgrace plotting.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24845 | tlinnet | 2014-07-30 18:07:36 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Renamed return functions, to reflect they are specific for xmgrace plotting.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24846 | tlinnet | 2014-07-30 18:07:38 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Extended relax_disp auto_analyses to plot special R1rho graphs.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24847 | tlinnet | 2014-07-30 18:07:40 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Modified front-end user-function to relax_disp.plot_disp_curves() to parse new arguments to back-end function.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24848 | tlinnet | 2014-07-30 18:07:42 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Added new unicode symbols to be parsed to the GUI dropdowns menu.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24849 | tlinnet | 2014-07-30 18:07:44 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Modified back-end of plot_disp_curves() to reflect changes to the front-end function.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24851 | tlinnet | 2014-07-30 20:11:49 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Extended systemtest Relax_disp.test_r1rho_kjaergaard_auto(), to check that the expected graphs exist.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24852 | tlinnet | 2014-07-30 20:11:52 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Added model 'No Rex' to systemtest Relax_disp.test_r1rho_kjaergaard_auto(), to check all graphs are produced.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24853 | tlinnet | 2014-07-30 20:11:54 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Added function to return the initial part of the file name for grace plotting.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24854 | tlinnet | 2014-07-30 20:11:57 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Modified systemtest to use the new function to return initial part of file name for grace plotting.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24855 | tlinnet | 2014-07-30 20:11:59 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Started testing all possible combinations of graphs for R1rho analysis.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24856 | tlinnet | 2014-07-30 20:12:01 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Added more print out, to detect which graphs are not working.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24858 | tlinnet | 2014-07-30 22:27:17 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Added forgotten "interpolate" type to function which return X,Y point to xmgrace graphs.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24859 | tlinnet | 2014-07-30 22:27:20 +0200 (Wed, 30 Jul 2014) | 6 lines

[...]

[...] Fix for interpolation graph when plotting R1rho R2 as function of offset (ppm).

[...]

[...] Missed to extract the offset value from list.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24860 | tlinnet | 2014-07-30 22:27:21 +0200 (Wed, 30 Jul 2014) | 6 lines

[...]

[...] Forcing overwrite of special R1rho graphs in auto analyses in relax_disp.

[...]

[...] The other graphs are also auto forced.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24861 | tlinnet | 2014-07-30 22:27:23 +0200 (Wed, 30 Jul 2014) | 8 lines

[...]

[...] Added systemtest Relax_disp.test_r1rho_kjaergaard_auto_check_graphs, to check that the contents of all combinations of graphs are consistent.

[...]

[...] The systemtest actual show that the error is changing per run-through.

[...]

[...] This is a bug, which should be corrected.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24862 | tlinnet | 2014-07-30 22:27:26 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Added graphs to check against in systemtest test_r1rho_kjaergaard_auto_check_graphs.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24863 | tlinnet | 2014-07-30 22:27:28 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Code validation of systemtest file for Relax_disp.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24864 | tlinnet | 2014-07-30 22:27:30 +0200 (Wed, 30 Jul 2014) | 6 lines

[...]

[...] Fix to systemtest Relax_disp.test_r1rho_kjaergaard_auto_check_graphs by only comparing X,Y values, and skipping the error.

[...]

[...] This is a hack until the error difference bug gets corrected.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24865 | tlinnet | 2014-07-30 23:43:22 +0200 (Wed, 30 Jul 2014) | 4 lines

[...]

[...] Added systemtest Relax_disp.test_kteilum_fmpoulsen_makke_check_graphs() to check all possible combinations of dispersion plotting.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24868 | tlinnet | 2014-07-31 11:53:44 +0200 (Thu, 31 Jul 2014) | 4 lines

[...]

[...] Fix for GUI text in MS Windows, since subscript 1, and greek theta symbol is not working in this unicode system.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24869 | tlinnet | 2014-07-31 11:53:46 +0200 (Thu, 31 Jul 2014) | 6 lines

[...]

[...] Fix for desc_short, in user function relax_disp.plot_disp_curves.

[...]

[...] The text "The " is preformed in the formatting.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24870 | tlinnet | 2014-07-31 11:53:48 +0200 (Thu, 31 Jul 2014) | 4 lines

[...]

[...] Fix for systemtest, after movind graphs to check against.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24871 | tlinnet | 2014-07-31 11:53:51 +0200 (Thu, 31 Jul 2014) | 4 lines

[...]

[...] Moved graph files up one level in systemtest.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24872 | tlinnet | 2014-07-31 12:13:44 +0200 (Thu, 31 Jul 2014) | 4 lines

[...]

[...] Fix for forgotton removal of counter.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24876 | tlinnet | 2014-07-31 15:12:13 +0200 (Thu, 31 Jul 2014) | 4 lines

[...]

[...] Added check function for relax_disp. This function check if interpolating against offset for non-R1 exp types, and will raise an Error.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24877 | tlinnet | 2014-07-31 15:12:15 +0200 (Thu, 31 Jul 2014) | 4 lines

[...]

[...] Added check function to plot_disp_curves, to check that CPMG exptypes are not interpolated against offset, which is not implemented.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24878 | tlinnet | 2014-07-31 15:12:17 +0200 (Thu, 31 Jul 2014) | 4 lines

[...]

[...] Fix for forgotten "1" in lib text GUI.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24879 | tlinnet | 2014-07-31 15:12:19 +0200 (Thu, 31 Jul 2014) | 6 lines

[...]

[...] Improved description in GUI text for user function relax_disp.plot_disp_curves().

[...]

[...] The improved description now explains the new features.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24884 | tlinnet | 2014-07-31 17:22:26 +0200 (Thu, 31 Jul 2014) | 4 lines

[...]

[...] Extended graph labelling, file naming and return of data for multiple CPMG graphs types.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24885 | tlinnet | 2014-07-31 17:22:29 +0200 (Thu, 31 Jul 2014) | 13 lines

[...]

[...] Added systemtest Relax_disp.test_kteilum_fmpoulsen_makke_check_graphs to check all CPMG graph combinations of:

[...]

[...] y_axis_types = [Y_AXIS_R2_EFF, Y_AXIS_R2_R1RHO]

[...] x_axis_types = [X_AXIS_DISP, X_AXIS_THETA, X_AXIS_W_EFF]

[...] interpolate_types = [INTERPOLATE_DISP]

[...]

[...] This is a total of 6 graphs.

[...]

[...] The graphs will in most cases be totally equal, since the theta angle is calculated to 90 degrees, and R1 is returned as 0.0, then

[...] R2=(R1rho - R1 cos^2(theta)) / sin^2(theta) = R1rho = R2eff for CPMG models.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24886 | tlinnet | 2014-07-31 17:26:27 +0200 (Thu, 31 Jul 2014) | 4 lines

[...]

[...] Added graphs to check against for system test: Relax_disp.test_kteilum_fmpoulsen_makke_check_graphs.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24887 | tlinnet | 2014-07-31 17:50:05 +0200 (Thu, 31 Jul 2014) | 4 lines

[...]

[...] Expanded ex. to example in help text for function.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24889 | tlinnet | 2014-07-31 18:05:36 +0200 (Thu, 31 Jul 2014) | 4 lines

[...]

[...] Deleted unused comment line.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

[...] r24891 | tlinnet | 2014-07-31 18:08:51 +0200 (Thu, 31 Jul 2014) | 4 lines

[...]

[...] Fix for unit test, where return_offset() function return has been expanded and re-ordered.

[...]

[...] sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.

[...] sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

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

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

[...] r24893 | bugman | 2014-07-31 18:14:50 +0200 (Thu, 31 Jul 2014) | 3 lines

[...]

[...] Removed merge tracking for "svnmerge" for

[...] svn+ssh://bugman@svn.gna.org/svn/relax/branches/r1rho_plotting

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

[...] r24895 | tlinnet | 2014-07-31 18:23:37 +0200 (Thu, 31 Jul 2014) | 3 lines

[...]

[...] Removed empty directories, which was not used.

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

[...] r24896 | bugman | 2014-07-31 18:25:05 +0200 (Thu, 31 Jul 2014) | 5 lines

[...]

[...] Created the Bruker.test_bug_22411_T1_read_fail system test.

[...]

[...] This is to catch bug #22411 (https://gna.org/bugs/?22411) as reported by Olena Dobrovolska.

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

[...] r24897 | bugman | 2014-07-31 18:28:28 +0200 (Thu, 31 Jul 2014) | 6 lines

[...]

[...] Fix for bug #22411 (https://gna.org/bugs/?22411), the failure in loading a Bruker DC T1 data file.

[...]

[...] The problem was that there was an empty line with spaces. The logic for skipping empty lines could

[...] not handle lines with just whitespace. This has now been fixed.

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

[...] r24898 | tlinnet | 2014-08-01 18:09:14 +0200 (Fri, 01 Aug 2014) | 1 line

[...]

[...] Fix for systemtest Relax_disp.test_kteilum_fmpoulsen_makke_check_graphs where minimise has been extended with execute.

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

[...] r24899 | tlinnet | 2014-08-01 18:09:17 +0200 (Fri, 01 Aug 2014) | 3 lines

[...]

[...] Changed graphs after new minimisation algorithm has been implemented.

[...]

[...] The values are now slightly different.

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

[...] r24900 | tlinnet | 2014-08-01 18:09:19 +0200 (Fri, 01 Aug 2014) | 5 lines

[...]

[...] Implemented first try to stride through data, when computing the eig() of higher dimensional data.

[...]

[...] Systemtest test_cpmg_synthetic_b14_to_ns3d_cluster survived this transformation.

[...]

[...] The systemtest will go from about 11 seconds to 22 seconds.

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

[...] r24901 | tlinnet | 2014-08-01 18:09:21 +0200 (Fri, 01 Aug 2014) | 6 lines

[...]

[...] Implemented second try to stride through data, when computing the eig() of higher dimensional data.

[...] This of data of form: NS, NM, NO, ND, Row, Col.

[...]

[...] Systemtest test_sprangers_data_to_ns_mmq_2site survived this transformation.

[...]

[...] The systemtest will go from about 2 seconds to 4 seconds.

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

[...] r24902 | tlinnet | 2014-08-01 18:09:23 +0200 (Fri, 01 Aug 2014) | 8 lines

[...]

[...] Created function to create the helper index numpy array, to help figuring out the indices to store in the exchange data matrix.

[...]

[...] This is for striding through data and store the data correct in the data matrix.

[...]

[...] This is for a special situation where numpy version is < 1.8, and where the numpy.linalg.eig() function can only

[...] be performed on square matrices, and not on higher dimensional data.

[...]

[...] For this situation, it is necessary to stride through the data.

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

[...] r24903 | tlinnet | 2014-08-01 18:09:25 +0200 (Fri, 01 Aug 2014) | 3 lines

[...]

[...] Created the numpy array self.index target function which contains index to store the data.

[...]

[...] This is for situations where numpy version is under 1.8.

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

[...] r24904 | tlinnet | 2014-08-01 18:09:27 +0200 (Fri, 01 Aug 2014) | 1 line

[...]

[...] Added function to get the data view via striding through a higher dimensional column numpy array.

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

[...] r24905 | tlinnet | 2014-08-01 18:09:28 +0200 (Fri, 01 Aug 2014) | 1 line

[...]

[...] Extracted the data view of the index indices numpy array in the target_function.

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

[...] r24906 | tlinnet | 2014-08-01 18:09:30 +0200 (Fri, 01 Aug 2014) | 1 line

[...]

[...] A profiling showed, that it was not faster to preform the index view.

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

[...] r24907 | tlinnet | 2014-08-01 18:09:32 +0200 (Fri, 01 Aug 2014) | 1 line

[...]

[...] Made new general stride helper function and matrix_exponential function.

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

[...] r24908 | tlinnet | 2014-08-01 18:09:34 +0200 (Fri, 01 Aug 2014) | 1 line

[...]

[...] Changed to the matrix_exponential function for NS R1rho 2site.

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

[...] r24909 | tlinnet | 2014-08-01 18:09:35 +0200 (Fri, 01 Aug 2014) | 3 lines

[...]

[...] Removed all un-used helper functions, and matrix exponential functions.

[...]

[...] They are now condensed to the fewest possible functions.

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

[...] r24910 | tlinnet | 2014-08-01 18:09:37 +0200 (Fri, 01 Aug 2014) | 1 line

[...]

[...] Fix for eye matrix being wrong formed.

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

[...] r24911 | tlinnet | 2014-08-01 18:09:39 +0200 (Fri, 01 Aug 2014) | 1 line

[...]

[...] Replaced all matrix_exponential functions in numerical models to use the new general matrix_exponential function.

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

[...] r24912 | tlinnet | 2014-08-01 18:09:41 +0200 (Fri, 01 Aug 2014) | 3 lines

[...]

[...] Added warning message to auto analysis in relax disp, if numpy is below 1.8 and using numerical model.

[...]

[...] This will make the analysis 5-6 times slower.

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

[...] r24913 | tlinnet | 2014-08-01 18:20:01 +0200 (Fri, 01 Aug 2014) | 1 line

[...]

[...] Fixes for numpy version under 1.8, when striding through data.

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

[...] r24914 | tlinnet | 2014-08-01 19:16:38 +0200 (Fri, 01 Aug 2014) | 1 line

[...]

[...] Fix to unit tests, after changing the name of matrix_exponential function.

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

[...] r24915 | tlinnet | 2014-08-02 10:18:44 +0200 (Sat, 02 Aug 2014) | 3 lines

[...]

[...] Added graphs and results for run with MC=2000, for systemtest Relax_disp.test_r1rho_kjaergaard_auto().

[...]

[...] This is to be able to extend graph testing for interpolated R1rho graphs, and to add figures to the latex manual.

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

[...] r25019 | tlinnet | 2014-08-14 10:53:34 +0200 (Thu, 14 Aug 2014) | 3 lines

[...]

[...] Initialized merge tracking via "svnmerge" with revisions "1-24916" from

[...] svn+ssh://tlinnet@svn.gna.org/svn/relax/branches/R1_fitting

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

[...] r25020 | tlinnet | 2014-08-14 10:57:15 +0200 (Thu, 14 Aug 2014) | 731 lines

[...]

[...] Merged revisions 24917-25017 via svnmerge from

[...] svn+ssh://tlinnet@svn.gna.org/svn/relax/branches/R1_fitting

[...]

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

[...] r24917 | tlinnet | 2014-08-02 15:27:38 +0200 (Sat, 02 Aug 2014) | 4 lines

[...]

[...] Added list of R1rho models, which use R1 in their equations.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

[...] bug #21788(https://gna.org/bugs/?21788): Only Warning is raised for missing loading R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24918 | tlinnet | 2014-08-02 15:27:40 +0200 (Sat, 02 Aug 2014) | 8 lines

[...]

[...] Modified the warning and error messages beeing raised when calling return_r1_data().

[...]

[...] Now warnings is raised if no R1 data is available. An error is raised if the R1rho model is expected to have R1 data, and it is not available.

[...]

[...] That makes systemtest: Relax_disp.test_r1rho_kjaergaard_missing_r1() fail, which is the expected behaviour.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

[...] bug #21788(https://gna.org/bugs/?21788): Only Warning is raised for missing loading R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24919 | tlinnet | 2014-08-04 16:27:23 +0200 (Mon, 04 Aug 2014) | 3 lines

[...]

[...] Added the model "MODEL_DPL94_FIT_R1", to the full list of models.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24920 | tlinnet | 2014-08-04 16:27:26 +0200 (Mon, 04 Aug 2014) | 3 lines

[...]

[...] In systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1(), started using the new model MODEL_DPL94_FIT_R1.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24921 | tlinnet | 2014-08-04 16:27:28 +0200 (Mon, 04 Aug 2014) | 3 lines

[...]

[...] Added "r1_fit" as a parameter object.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24922 | tlinnet | 2014-08-04 16:27:30 +0200 (Mon, 04 Aug 2014) | 3 lines

[...]

[...] Added functionality to return r1_fit parameter in loop_parameters() function.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24923 | tlinnet | 2014-08-04 16:27:32 +0200 (Mon, 04 Aug 2014) | 3 lines

[...]

[...] Added model variable MODEL_DPL94_FIT_R1, to relax_disp target function.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24924 | tlinnet | 2014-08-04 16:27:34 +0200 (Mon, 04 Aug 2014) | 5 lines

[...]

[...] Split the target function of model DPL94 into a func_DPL94 and calc_DPL94.

[...]

[...] This is to prepare for a target function func_DPL94_fit_r1.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24925 | tlinnet | 2014-08-04 16:27:36 +0200 (Mon, 04 Aug 2014) | 3 lines

[...]

[...] Added initial target function for model DPL94_fit_r1.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24926 | tlinnet | 2014-08-04 16:27:38 +0200 (Mon, 04 Aug 2014) | 3 lines

[...]

[...] Added list of R1rho models, which can fit R1 in their equations.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24927 | tlinnet | 2014-08-04 16:27:40 +0200 (Mon, 04 Aug 2014) | 3 lines

[...]

[...] Modified return_r1_data() function, to return numpy array of "None", if model is in list of "MODEL_LIST_R1RHO_FIT_R1".

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24928 | tlinnet | 2014-08-04 16:27:42 +0200 (Mon, 04 Aug 2014) | 3 lines

[...]

[...] Modified target function func_DPL94_fit_r1(), to unpack fitted parameters correct.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24929 | tlinnet | 2014-08-04 16:27:44 +0200 (Mon, 04 Aug 2014) | 3 lines

[...]

[...] Added linear linear_constraints for paramter "r1_fit".

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24930 | tlinnet | 2014-08-04 16:27:46 +0200 (Mon, 04 Aug 2014) | 3 lines

[...]

[...] Added warning message when using function return_r1_data(), and model is in list MODEL_LIST_R1RHO_FIT_R1.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24931 | tlinnet | 2014-08-04 16:27:48 +0200 (Mon, 04 Aug 2014) | 3 lines

[...]

[...] Added model DPL94_FIT_R1 to the list of MODEL_LIST_R1RHO and MODEL_LIST_R1RHO_FULL.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24932 | tlinnet | 2014-08-04 16:27:49 +0200 (Mon, 04 Aug 2014) | 3 lines

[...]

[...] Modified return_r1_data(), to be dependent on fitting model.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r24933 | tlinnet | 2014-08-04 16:27:51 +0200 (Mon, 04 Aug 2014) | 3 lines

[...]

[...] Made function return_r1_err_data() be dependent on model type.

[...]

[...] sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

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

[...] r

(Browse SVN revision 25081)

Edward d Auvergne <bugman>
Project Administrator
Fri 15 Aug 2014 06:30:48 PM UTC, SVN revision 25039:

Fix for replacing spaces " " with "_" in header files.

sr #3121(https://gna.org/support/?3121): Support request for replacing space in header files for the value.write functions.

(Browse SVN revision 25039)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Fri 15 Aug 2014 06:30:45 PM UTC, SVN revision 25038:

Added to systemtest a count of number of headers and values, when issuing a value.write().

sr #3121(https://gna.org/support/?3121): Support request for replacing space in header files for the value.write functions.

(Browse SVN revision 25038)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Thu 06 Mar 2014 11:20:35 AM UTC, comment #1:

This support request will be left for coming master student, Tue Ganderup Ehmsen.

It seems as a good initial training possibility.

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Wed 19 Feb 2014 03:32:39 PM UTC, original submission:

This is discussed in:
http://thread.gmane.org/gmane.science.nmr.relax.devel/5047

If one use the function:
value.write(param='r2a')

The header file looks like this:
# Parameter description: The transversal relaxation rate for state A in the absence of exchange.
#
# mol_name res_num res_name spin_num spin_name SQ CPMG - 599.89086220 MHz sd(SQ CPMG - 599.89086220 MHz)

Ideally I would like it to have it similar to this:

# Parameter description: The transversal relaxation rate for state A in the absence of exchange.
#
# mol_name res_num res_name spin_num spin_name SQ_CPMG_-_599.89086220_MHz sd(SQ_CPMG_-_599.89086220_MHz)

so a string.split() will be of the same length as the data col

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.

 

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

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    Follow 6 latest changes.

    Date Changed By Updated Field Previous Value => Replaced By
    Tue 19 Aug 2014 04:43:19 PM UTCtlinnetOpen/ClosedOpen=>Closed
    Tue 19 Aug 2014 02:55:00 PM UTCtlinnetOpen/ClosedClosed=>Open
    Fri 15 Aug 2014 06:31:12 PM UTCtlinnetCategoryNone=>Feature request
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