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Capitalisation of Delta_omega.
* Removing unnecessary math-domain catching for model [[IT99]]. [https://gna.org/task/?7793 Task #7793 Speedup of dispersion models]. The denominator is always positive.
* Align math-domain catching for model [[NS CPMG 2-site expanded]] with trunk implementation. [https://gna.org/task/?7793 Task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. The catching of errors have to be more careful.
* Modified unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[NS CPMG 2-site expanded]]. This is to align with the current return of data in the disp_speed branch. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0.* Added 7 unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[DPL94]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0.
* Unit test _lib/test_ns_cpmg_2site_expanded.py copied to _/test_lm63.py. They are both of CPMG type.
* Added 7 unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[LM63]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0.
* Unit test _lib/_dispersion/test_ns_cpmg_2site_expanded.py copied to _lib/_dispersion/b14.py. They are both of CPMG type, and can be re-used.
* Added 7 unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[B14]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0.
* Removed unnecessary math domain checking in model [[B14]]. They are slowing down the code. There is now protection for edge cases, and a last final check, before returning values. That should be sufficient.
* Unit test _lib/_dispersion/test_b14.py copied to _lib/_dispersion/test_CR72.py. They are both of CPMG type, and can be re-used.
* Copied unit test _lib/_dispersion/* to be reused for other models.
* Added 8 unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[CR72]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0; k<sub>ex</sub> = 1e<sup>5</sup>.* Added the 8th unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[B14]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0; k<sub>ex</sub> = 1e<sup>5</sup>.* Added the 8th unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[LM63]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0; k<sub>ex</sub> = 1e<sup>20</sup>.
* Small fix for 8 unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model 'ns cpmg_2site_expanded'. The comparison of R<sub>2eff</sub> is now divided into a special case for k<sub>ex</sub> having large values.
* Deleted unit test case for lm63 3site.
* Added 8 unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[M61]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0; k<sub>ex</sub> = 1e<sup>20</sup>.
* Added the 8th unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[DPL94]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange:
* Added 8 unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[M61b]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0; k<sub>ex</sub> = 1e<sup>20</sup>.
* Math-domain catching for model [[M61b]]. [https://gna.org/task/?7793 Task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These can be found via the --numpy-raise function to the system tests. To make the code look clean, the class object "back_calc" is no longer being updated per time point, but is updated in the relax_disp target function in one go.
* Modified script to be able to run system test Relax_disp.xxx_test_m61b_data_to_m61b.
* Added 8 unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[IT99]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0; k<sub>ex</sub> = 1e<sup>19</sup>.* Added 9 unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[MMQ CR72]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0; k<sub>ex</sub> = 1e<sup>5</sup>; &deltaDelta;ωH = 0.0.* Added 8 unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[MP05]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0; k<sub>ex</sub> = 1e<sup>20</sup>.* Added 8 unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[TAP03]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0; k<sub>ex</sub> = 1e<sup>20</sup>.* Added 8 unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[TP02]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0; k<sub>ex</sub> = 1e<sup>20</sup>.* Added 7 unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[TSMFK01]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0.
* Copied unit test test_b14.py to test_ns_cpmg_2site_3d.py.
* Added 8 unit tests demonstrating edge case 'no R<sub>ex</sub>' failures of the model [[NS CPMG 2-site 3D]]. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0; k<sub>ex</sub> = 1e<sup>7</sup>.* Modified unit tests demonstrating edge cases 'no R<sub>ex</sub>' failures of the model [[TP02]]. The catching of errors for off-resonance R<sub>1ρ</sub> models was implemented wrong. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models]. This was pointed out in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5938. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: &deltaDelta;ω = 0.0; p<sub>A</sub> = 1.0; k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0 and p<sub>A</sub> = 1.0; &deltaDelta;ω = 0.0 and k<sub>ex</sub> = 0.0; p<sub>A</sub> = 1.0 and k<sub>ex</sub> = 0.0; &deltaDelta;ω = 0.0, p<sub>A</sub> = 1.0, and k<sub>ex</sub> = 0.0; k<sub>ex</sub> = 1e<sup>5</sup>.
* Critical fix for the math domain catching of model [[TP02]]. The catching of errors for off-resonance R<sub>1ρ</sub> models was implemented wrong. This was pointed out in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5938.
* Modified unit tests demonstrating edge cases 'no R<sub>ex</sub>' failures of the model [[DPL94]]. This was pointed out in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5938.
* Various spacing fixes in unit test files _lib/_dispersion. This is the preparation for merging back disp_speed branch into trunk. This follows post http://article.gmane.org/gmane.science.nmr.relax.devel/5948. Usin the code validator script './devel_scripts/code_validator'.
* Modified that unit tests having different r20a and r20b values is checking if the correct one is returned. This is the preparation for merging back disp_speed branch into trunk. This follows post http://article.gmane.org/gmane.science.nmr.relax.devel/5948.
* Modified unit test to have standard population of p<sub>A</sub> = 0.95, and a correctly calculation of &deltaDelta;ω in ppm to rad/s. This is related to [https://gna.org/task/?7793 task #7793 Speedup of dispersion models].
* Small fix in parameter calculation in unit test _dispersion/test_ns_cpmg_2site_expanded.
* Increased max k<sub>ex</sub> to value 1e<sup>18</sup> for unit test of lin/ns_cpmg_2site_expanded.py.
