tawnycalc 0.4.1

Python wrappers for THERMOCALC software for phase equilibrium modelling.

TawnyCALC
=========

.. image:: https://raw.githubusercontent.com/underworldcode/tawnycalc/master/tawnycalc.png
:width: 100
:scale: 25
:align: left
:alt: tawny-owl

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`tawnycalc` provides tools for the orchestration of `thermocalc` simulations
from a Python environment.

This package operates as a high level wrapper to `thermocalc`, allowing
users to configure, execute and analyse their models. Generally models will
be configured in one of two ways:

1. Utilise existing `thermocalc` setup scripts. In this case `tawnycalc`
will read in the existing input files and present them as Python objects
for further modification. This is useful for where you have an existing
model that you would like to control from Python.
2. Start from scratch. Here the user will generate the entire configuration
required for `thermocalc` from within Python. This workflow consolidates
your entire model configuration to the Python environment which may
provide a more streamlined experience.

Once configured satisfactorily, execution is performed as follows:

1. `tawnycalc` utilises the current `Context` configuration to generate
`thermocalc` input files. These files are generated in either a temporary
or user specified location
2. A sub-process is spawned which executes `thermocalc` against the generated
input files.

The results of the `thermocalc` execution are then parsed by `tawnycalc` and
provided as Python objects for analysis. The user may use the results to
determine the input configuration for further `thermocalc` executions.