Add a function to convert a Factsage file into an auxi file - Githubissues

Ex-Mente / auxi.0

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Add a function to convert a Factsage file into an auxi file #154

Open SShilo opened 8 years ago

SShilo commented 8 years ago

Background

In the thermochemistry.ipynb file, convert_fact_file_auxi_thermo_file is called but it does not currently exist in the thermochemistry module.

Purpose

The purpose of this issue is to add a function which converts a Factsage file into an auxi file be added to thermochemistry module.

Approach

A couple of modules which can help in the solving this issue exist in the thermochemistry module. These include:

load_data_factsage (for loading factsage files from a specified directory)
_read_compound_from_factsage_file (for reading data a factsage file)
write_compound_to_auxifile (for writing the data which has been read into python)

johanzietsman-em commented 8 years ago

Rename 'write_compound_to_auxi_file' to write_compound_auxi. Rename _read_compound_from_factsage_file_ to read_compound_factsage. Rename references to the above functions. Fix the reference in the Jupyter notebook.