Callable density property

[DanShort12]

This PR looks to make it easier to evaluate material densities at different temperatures and pressures, while maintaining functionality. It also ensures that temperatures in C or K are kept in line if either are varied.

The main functional difference will be how density information is accessed. There are now a few options:

density = material.default_density

This will evaluate the density MaterialProperty at the temperature and pressure of the material.

density = material.density(temperature_in_C=100)

This will evaluate the material's density at the provided temperature (in C or K) or pressure.

The density_equation is no longer exposed after it has been set as it is wrapped into the density MaterialProperty e.g. it becomes density.value, as is the case for the provided density if it is a float of int value.

The density_unit is also not directly exposed but it can be retrieved via material.density_unit (which accesses density.unit).

This approach should also make it easier to expand the set of MaterialProperty attributes that are available to a material class, for example in other codebases.

Closes #103

[codecov[bot]]

Codecov Report

:exclamation: No coverage uploaded for pull request base (main@a399cae). Click here to learn what that means. The diff coverage is 97.43%.

@@           Coverage Diff           @@
##             main     #104   +/-   ##
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  Files           ?        4           
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Impacted Files	Coverage Δ
neutronics_material_maker/material.py	94.50% <95.38%> (ø)
neutronics_material_maker/mutlimaterial.py	93.96% <100.00%> (ø)
neutronics_material_maker/properties.py	100.00% <100.00%> (ø)

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[DanShort12]

Let me know what I should do with the Code Inspector output... it looks like some of the messages conflict with existing style in the project (in_K, in_C being not snake case, and the complexity of _populate_from_inbuilt_dictionary in particular.

[DanShort12]

Oh, and let me know if you like/dislike bits of this change... I'm aware the scope is rather beyond the original issue of just aligning the temperatures 😄

[shimwell]

Let me know what I should do with the Code Inspector output... it looks like some of the messages conflict with existing style in the project (in_K, in_C being not snake case, and the complexity of _populate_from_inbuilt_dictionary in particular.

Ah yes, that _K and _C variable names are my fault, they are not snake case so perhaps we should change them eventually, but lets keep them for now.

[shimwell]

Oh, and let me know if you like/dislike bits of this change... I'm aware the scope is rather beyond the original issue of just aligning the temperatures smile

All looks good to me. Lets have a quick chat on Monday then I'm sure we can merge everything and get the pip and conda install updated

[shimwell]

Thanks Dan this looks great, after the chat would you mind doing these few things

• [ ] example to docs
• [ ] class in the docs
• [ ] make density_prop a non breaking change for other users
• [ ] setup.py bump the version number
• [x] change target to develop

[shimwell]

Just wondering if this feature is in the works

[DanShort12]

Hi @Shimwell, thanks for the reminder - I'll get back to this in the new year

[shimwell]

Converted to draft, feel free to pick this up if anyone is interested in this feature

[shimwell]

Closing this PR due to inactivity, but happy for it to be reopened if anyone is keen on seeing this feature.