TauREx-ACE plugin

Python wrapper built using the TauREx framework for the FORTRAN equilibrium chemistry code developed by Agúndez et al. 2012.

Installation

You can install one of the prebuilt binary wheels for Windows, macOS and manylinux through pip:

pip install taurex_ace

Installing from source

To install from source a valid C/C++ and FORTRAN compiler must be present. You can compile it by doing:

git clone https://github.com/ucl-exoplanets/taurex_ace.git
cd taurex_ace
pip install .

Running in TauREx

Once installed you can select the chemical model through the chemistry_type keyword under Chemistry.

[Chemistry]
chemistry_type = ace
metallicity = 1.0
co_ratio = 0.5

Input arguments:

Retrieval Parameters:

Running in Python

You can import the chemistry scheme in Python pretty easily

>>> from taurex_ace import ACEChemistry

>>> ace = ACEChemistry(metallicity=1.0, co_ratio=0.5)

You can either pass it into a TauREx forward model like so:

>>> tm = TransmissionModel(chemistry=ace)

Or use it independently to compute volume mixing ratios by passing in temperature and pressure ( Pascal ) arrays:

>>> nlayers = 100
>>> T = numpy.linspace(400,1000,nlayers)
>>> P = numpy.logspace(1,5, nlayers)
>>> ace.initialize_chemistry(nlayers=nlayers, temperature_profile=T, pressure_profile=P)
>>> ace.gases
['CH3COOOH', 'C4H9O', 'C3H7O', ...,  'HNC', 'HON', 'NCN']
>>> ace.mixProfile
array([[6.49723780e-80, 6.79239790e-79, 6.61822622e-78, ...,
        8.00944782e-41, 1.11751339e-40, 1.55179784e-40],
       [7.10900373e-76, 4.67226720e-75, 2.90530077e-74, ...,
        1.03852971e-43, 1.39343534e-43, 1.86266570e-43],
       [1.13921670e-64, 5.82452085e-64, 2.83707624e-63, ...,
        4.26299477e-37, 5.44908156e-37, 6.94256769e-37],
       ...,
       [3.29247294e-31, 1.02824750e-30, 3.09872209e-30, ...,
        1.82127852e-13, 2.05020932e-13, 2.30210836e-13],
       [4.53205427e-71, 4.23173486e-70, 3.69942916e-69, ...,
        2.31456323e-32, 3.35359173e-32, 4.83724134e-32],
       [8.04632748e-67, 7.90155245e-66, 7.23887996e-65, ...,
        3.68586537e-29, 5.02545448e-29, 6.81862528e-29]])