Migrated thermofunction logic into its own dedicated class, and overloaded operations for addition, subtraction, etc. and added automatic error propagation for quantities with uncertainties. I've done a rudimentary test of functionality and it seems good

Changed the ThermoFunction class to additionally accept an uncertainty, which it automatically propagates correctly when performing the addition of thermo functions

Moved constant attributes to class attributes (instead of being per object) and renamed calls accordingly. Also added a dectorator to the Database class that templates the get_tp function's docstring with the unique tp names

The database reader now returns a dictionary for each salt containing functions that give thermophysical properties as a function of temperature

Added a function that produces thermophysical property functions for a given thermophysical properties

Added outline for thermophysical property function, and polished parsing to better accomodate for missing data while maintaining the same keys for every row

Moved the parsing functions to their own private inner class to avoid cluttering the body of the class

Added capabilities for properly parsing the temperature range on the viscosity expansion, and started an implementation of the RK parsing

Created an initial module for processing thermophysical properties from MSTDB-TP, and calcualting the RK expansion

Renamed the fuelOptimization directory to saltOptimization, and added a rudimentary table of contents and description to the main README file

Created initial README documentation and added table of contents generating pre-commit hooks. Also added some filters to the .gitignore that're helpful for python/jupyter notebooks. Also expanded the directory by one level to include other aspects of the project

Working version including corrosion calcs and solubility, just need to do fuel/coolant salt optimization

Added utility for getting fraction of element in solution phase. This is useful for corrosion calculations

Added code to extract solution phases and pure condensed phases separately from stable_phases. This is useful for corrosion calculations

An uncaught case where boundary has zero points was not properly handled, leading to that boundary not being plotted

Was accidentally modifying the original regions and forgetting to rescale them, so there were no intersections for the solubility plots. The original regions are now rescaled at the end

Properly handled the warning messages from alphashape, which are not implemented with the warnings package, so the best way to deal with them is to directly read stderr

Changed handling of alphashape warning to try to mitigate the annoying numpy warning. The current implementation saves the output if the warning was just the numpy warning, but I'm not sure if it allows the try block to execute the entire while loop. Also dialed in filtering parameters - before we were losing key features.

Moved filtering into _get_phase_regions function (where it belongs), and have, for the moment, removed the ConvexHull-based filtering. Also, if alpha is too large, can get disjoint boundaries for a phase region (which isn't inherently an issue) but it can result in ugly overlapping in the plot. So, to avoid this, we make three attempts to remove intersections (leaving us with a solid region) by reducing alpha, and if we fail, we take the disjoint plot. This issue is only really prevelant for systems like LiCl-KCl

Added boundary plotting with alphashapes instead of ConvexHulls, which allow for convex boundaries to be properly captured. For the alpha parameter to be adequately calculated, though, ntsteps and nxsteps must be given as input

Added solubility calculation to pseudoBinaryPhaseDiagram class and optimization notebook Example 4 is working

No need to copy the original points array, there is no case in which we will use the original points array over the filtered points array. If there is an error when filtering, it is generally becasue there is a problem with the region (i.e. that it consists of mostly/only extraneous points) and so we exclude it from the plot anyways. Doing this allows us to save memory, albeit not that much. Also Fixed break statement in a for loop that can lead to the max(fractional_area_decreases, ...) being undefined, particularly if the exception occurs on the first boundary vertex

Added additional checks for hulls that may be coplanar, or otherwise problemmatic, and some other minor improvements

Fully implemented plotting with filtering. The results are okay, but nowhere near as nice as the built-in plots. Also, the compositions appearing on the x-axis corresponding to the phase boundaries seem to be shifted by a constant factor from the reference - need to look at this further