pritamd47 / alphameltsdata Goto Github PK

Increase features in plotting

• Add support for fractionation diagrams, where multiple data points can be added.

Refactor whole code base, to be more flexible and general.

Mainly refactor plot.py

As of now, Data is stored in this format:

output/
--dataForAnyPTcondition/
----Plots/
----Tables/
----Bulk_comp_tbl.csv
----Phase_main_tbl.csv
----System_main_tbl.csv

New format proposed:
output/
--dataForAnyPTcondition/
----Plots/
----Tables/
----phases.csv
----Phases_main.csv
----Bulk_comp.csv
----System_main.csv
----[data for every phase].csv

phases.csv will contain data about the available phases

• To do this, beautifyData.py must be changed so that it creates new files for every phase
• It must also be kept in mind that the output of the alphaMELTS software might be different than what is expected (two types of representation of phases_main_tbl.txt), and beautifyData must be able to work in both the situations.
• Since the phases_main_tbl.txt cannot be trusted for single data structure, Phases_main.csv must be populated with data from other tables. It will contain all the data, including the bulk composition, solid composition, excluding the System Thermodynamic Data, which majorly should be a seperate file.

The code as of now uses hard coded directory/file paths, make this cross platform.