Callable density property #104
Conversation
Introduce a new module to handle material properties as callable classes, which can be evaluated at a given temperature and/or pressure. Define a Density property that also validates the provided units.
Make temperature_in_K and temperature_in_C interdependent so that a change to one will result in the equivalent change to the other.
Avoid impact on API (serialisation/deserialisation to/from JSON). This requires some additional logic to ensure the density_unit is also available. Allow density to be populated as a MaterialProperty, or via a numeric value in density, or via the density_equation. Get the density_unit from the MaterialProperty. Add a default_density property to get the density at the current temperature and pressure of the material. Create a Density property when calculating the density from OpenMC.
Codecov Report
@@ Coverage Diff @@
## main #104 +/- ##
=======================================
Coverage ? 95.06%
=======================================
Files ? 4
Lines ? 608
Branches ? 0
=======================================
Hits ? 578
Misses ? 30
Partials ? 0
Continue to review full report at Codecov.
|
|
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 |
|
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 😄 |
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. |
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 |
|
Thanks Dan this looks great, after the chat would you mind doing these few things
|
|
Just wondering if this feature is in the works |
|
Hi @shimwell, thanks for the reminder - I'll get back to this in the new year |
|
Converted to draft, feel free to pick this up if anyone is interested in this feature |
|
Closing this PR due to inactivity, but happy for it to be reopened if anyone is keen on seeing this feature. |
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:
This will evaluate the density
MaterialPropertyat the temperature and pressure of the material.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
MaterialPropertye.g. it becomesdensity.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 accessesdensity.unit).This approach should also make it easier to expand the set of
MaterialPropertyattributes that are available to a material class, for example in other codebases.Closes #103