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MaCFP / matl-db

Condensed Phase Material Database
MIT License
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Translate Matlab Functionalities to Python #80

Open TristanHehnen opened 4 years ago

TristanHehnen commented 4 years ago

This issue is based on a comment by Randy, where the idea was expressed to translate the Matlab functionalities provided with this repository to Python.

I think further discussions on this task should have their own place here.

rmcdermo commented 4 years ago

@TristanHehnen Your comment about working on the foundation is a good one. I have already built plotting scripts here that I plan to start using for macfp-db. This Python module follows the idea of "dataplot" that we use in the FDS validation suite. Ultimately, each line on a plot is a line in a .csv master configuration file that defines the plotting parameters. Of course, validation metrics can be processed, and further statistical analysis can be built into the scripts as needed. In FDS, this is done with "scatterplot".

In FDS, this is all done in Matlab. Over the years it has evolved and, of course, it is not perfect. But what I've learned from my experience with the 2017 gas phase MaCFP and now with the Mablab scripts that have been put together for matl-db (which are similar to the ones I did in 2017) is that the master config file idea is more robust.

If a dictionary is a cleaner way to store the information, let's discuss this offline. I have not yet worked with a large dictionary. Thanks

TristanHehnen commented 3 years ago

As a brief notification: We are now slowly starting with the translation of the matlab functionality into Python.