Adding unit testing

[JosePizarro3]

Following @ndaelman-hu and Alvin's suggestion, we will add unit testing for the different classes and functions.

We can follow Alvin's implementation in the test of the simulation workflow schema.

This will be tackled separately, adding unit testing for:

• model_system.py, atoms_state.py (Adding unit testing for ModelSystem and AtomsState #15)
• model_method.py (@ndaelman-hu needs to tackle the DFT schema and add testing Extend DFT information #13)
• numerical_settings.py (to be tackled separately together with the work on BasisSet, @ndaelman-hu)
• general.py
• outputs.py

This testing will probably polish the current functionalities, and perhaps add new ones that are missing.

[JosePizarro3]

@ndaelman-hu @ladinesa during the dev of unit testing: should we also add testing for the normalize() functions of each class? What if these are empty or just normalize the super level?

[ladinesa]

@ndaelman-hu @ladinesa during the dev of unit testing: should we also add testing for the normalize() functions of each class? What if these are empty or just normalize the super level?

not sure if i understood it correctly, but we should set up the test such that the normalize function gets executed. We do not need to create a test for each class, we can also just put the test in the parent class if the normalization is simple enough for a single test function.

[JosePizarro3]

not sure if i understood it correctly,

Ok, let me push something this week, and you tell me whether I got the unit testing idea wrong.

[JosePizarro3]

Please @ndaelman-hu check this issue, I left some things opened for you to tackle when you want to implement DFT and BasisSet schemas.

Here, I am satisfied so far with the current coverage.