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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
has not been implemented yet.

2014-08-28 09:24:49 Tree
[r25373] by bugman

Fix for an accidental mistake in the lib.periodic_table module.

2014-08-28 09:21:46 Tree
[r25372] by bugman

The lib.periodic_table method for adding elements is now private.

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:
test_r2eff_err_estimate

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
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