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Changes
Omega symbol fix.
* Fixed unpacking of return from function calls of return_offset_data. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Made specific_analysis.relax_disp.return_offset_data return "w_eff" - the effective field in rotating frame in rad/s. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Fixed unpacking of return from function calls of return_offset_data, since ω<sub>eff</sub> is now also returned. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Moved calc_rotating_frame_params() to specific_analysis.relax_disp.disp_data. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>]. This is in a response to message: http://www.mail-archive.com/relax-devel@gna.org/msg05080.html.
* Started unit test for _specific_analysis._relax_disp.test_disp_data.test_calc_rotating_frame_params. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>]. This is in response to message: http://www.mail-archive.com/relax-devel@gna.org/msg05080.html.
* Extended API function in specific_analysis.relax_disp.api to calculate and return values for parameter θ when this is requested. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>]. Implemented according to http://www.mail-archive.com/relax-devel@gna.org/msg05082.html.
* Variable renaming and closing of files in unit test test_value_write_calc_rotating_frame_params(). Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Extended unit test test_value_write_calc_rotating_frame_params() to also test writing of ω<sub>eff</sub> values. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Fixed typo and removed grace string for parameter description of θ. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Added parameter 'w_eff', the effective field in rotating frame calculation to dispersion API. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Added handling of calculating ω<sub>eff</sub> in dispersion API. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].* Added unit to parameter description of θ and ω<sub>eff</sub>. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Fix for field count and added check for R<sub>1ρ</sub> type in calc_rotating_frame_params(). Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Added grace string to parameter description of θ and ω<sub>eff</sub>. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].* Fixed code duplication in relax_disp API, for calculation of θ and ω<sub>eff</sub>. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Removed unused lines of code in unit test test_return_offset_data(). Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Moved unit test of value writing of calc_rotating_frame_params() into separate system tests. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Added system test Relax_disp.test_value_write_calc_rotating_frame_params_auto_analysis(). Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>]. This is to test the auto_analysis value.write function to write θ and ω<sub>eff</sub> values for an R<sub>1ρ</sub> setup.* Added writing of parameters θ and ω<sub>eff</sub> for an auto-analysis if model in MODEL_LIST_R1RHO_FULL. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Added return of None values for function calc_rotating_frame_params() if spin is not selected. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Extended system test Relax_disp.test_value_write_calc_rotating_frame_params_auto_analysis() to test the writing of θ values. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Fix for return of None tuble in calc_rotating_frame_params(). Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Fix for correct use of assertNotEqual or assertEqual in Relax_disp system tests. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Hardcoded contents of writing of parameters θ and ω<sub>eff</sub> in system test Relax_disp.test_value_write_calc_rotating_frame_params_auto_analysis(). Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>]. This is to better support testing of key ordering and different architectures, etc.
* Fixed code duplication in specific_analysis.relax_disp.disp_data.write_disp_curves(). Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Modified system test of hardcoded values of θ and ω<sub>eff</sub> to match precision to 14 digits. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Fix for handling the writing of theta.out and w_eff.out in relax_disp auto_analysis, when model is not of R<sub>1ρ</sub> type. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>]. This was discovered using the system tests.
* Fix for calculating the θ angle describing the tilted rotating frame relative to the laboratory, when omega1 / Delta_omega is negative. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>]. This follows discussion in: http://thread.gmane.org/gmane.science.nmr.relax.devel/5205.
* Modified unit and system test to reflect new calculation of rotating frame tilt angle θ. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>]. This was discussed in thread: http://thread.gmane.org/gmane.science.nmr.relax.devel/5205.
* Added interpolation calculation of θ and ω<sub>eff</sub>, when dispersion points are interpolated. Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].
* Added printout of Ω, the average resonance offset, in calc_rotating_frame_params(). Regarding [https://gna.org/support/?3124 sr #3124, Grace graphs production for R<sub>1ρ</sub> analysis with R<sub>2eff</sub> as function of Ω<sub>eff</sub>].