Commit | Date | |
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[r25375]
by
bugman
Implemented the lib.periodic_table.periodic_table.atomic_weight() method. This returns the standard atomic weight of the atom as a float. |
2014-08-28 09:35:37 | Tree |
[r25374]
by
bugman
Created the unit test infrastructure for the lib.periodic_table module. This includes one unit test of the lib.periodic_table.periodic_table.atomic_weight() function which |
2014-08-28 09:24:49 | Tree |
2014-08-28 09:21:46 | Tree | |
2014-08-28 09:09:38 | Tree | |
[r25371]
by
bugman
Added all of the IUPAC 2011 atomic weights to the lib.periodic_table module. These will be useful for correctly calculating the centre of mass of a molecule. |
2014-08-28 09:08:50 | Tree |
[r25370]
by
tlinnet
Tried to improve docstring for API documentation. task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting. |
2014-08-28 08:31:22 | Tree |
[r25369]
by
tlinnet
Fix for warning message in the auto analyses in the GUI. task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting. |
2014-08-28 08:20:15 | Tree |
[r25368]
by
tlinnet
Modified test_estimate_r2eff_err_auto, to set r1_fit to False. This still make the systemtest pass, and fit R1. So this means R1 fit button is not functioning properly. task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting. |
2014-08-28 08:18:43 | Tree |
[r25367]
by
tlinnet
Modified systemtest 'test_estimate_r2eff_err_auto', to use the GUI script. It seems to work Ãperfect. This is to test against GUI script: task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting. |
2014-08-28 08:18:40 | Tree |
[r25366]
by
bugman
Formatting changes for the lib.periodic_table module. This is in preparation for extending the information content of this module. |
2014-08-28 07:53:32 | Tree |