.. DO NOT EDIT.
.. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY.
.. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE:
.. "auto_examples/plot_custom_abundances.py"
.. LINE NUMBERS ARE GIVEN BELOW.

.. only:: html

    .. note::
        :class: sphx-glr-download-link-note

        Run this example online :

        - Click :ref:`here <sphx_glr_download_auto_examples_plot_custom_abundances.py>`
          to download the full example code

        - Then start `Radis-Lab <https://radis.github.io/radis-lab/>`__,
          upload the Jupyter notebook, and run it from there.

.. rst-class:: sphx-glr-example-title

.. _sphx_glr_auto_examples_plot_custom_abundances.py:


.. _example_custom_abundances:

=====================
Use Custom Abundances
=====================

Custom isotopologue abundances can be defined, to model non-terrestrial
atmospheres.

Abundances are read and set directly in the :py:class:`~radis.lbl.factory.SpectrumFactory`
using the :py:meth:`~radis.lbl.loader.DatabankLoader.get_abundance`
and :py:meth:`~radis.lbl.loader.DatabankLoader.set_abundance` methods.

Below, we compute a CO2 spectrum with custom abundances for the two main
terrestrial isotopes (12C-16O2 ; 13C-16O2)

See Also
--------
:py:class:`~radis.db.molparam.MolParams`

.. GENERATED FROM PYTHON SOURCE LINES 24-42

.. code-block:: default


    from radis.test.utils import setup_test_line_databases

    setup_test_line_databases()  # creates "HITEMP-CO2-TEST" for this example

    from radis import SpectrumFactory

    sf = SpectrumFactory(
        2284.2,
        2284.6,
        wstep=0.001,  # cm-1
        pressure=20 * 1e-3,  # bar
        mole_fraction=400e-6,
        molecule="CO2",
        isotope="1,2",
        verbose=False,
    )
    sf.load_databank("HITEMP-CO2-TEST")




.. rst-class:: sphx-glr-script-out

 .. code-block:: none

    /home/docs/checkouts/readthedocs.org/user_builds/radis/envs/master/lib/python3.8/site-packages/radis/misc/warning.py:354: MissingReferenceWarning:

    Missing doi for CDSD-HITEMP. Use HITEMP-2010?





.. GENERATED FROM PYTHON SOURCE LINES 43-44

To explicitely identify the isotopes we can use the molparam attribute the Factory

.. GENERATED FROM PYTHON SOURCE LINES 44-48

.. code-block:: default

    print(sf.molparam.get("CO2", 1, "isotope_name"))  # >> (12C)(16O)2
    print(sf.molparam.get("CO2", 2, "isotope_name"))  # >> (13C)(16O)2






.. rst-class:: sphx-glr-script-out

 .. code-block:: none

    (12C)(16O)2
    (13C)(16O)2




.. GENERATED FROM PYTHON SOURCE LINES 49-50

Print the default abundance of the CO2 isotopes, compute a spectrum

.. GENERATED FROM PYTHON SOURCE LINES 50-53

.. code-block:: default

    print("Abundance of CO2[1,2]", sf.get_abundance("CO2", [1, 2]))
    sf.eq_spectrum(2000).plot("abscoeff")




.. image-sg:: /auto_examples/images/sphx_glr_plot_custom_abundances_001.png
   :alt: plot custom abundances
   :srcset: /auto_examples/images/sphx_glr_plot_custom_abundances_001.png
   :class: sphx-glr-single-img


.. rst-class:: sphx-glr-script-out

 .. code-block:: none

    Abundance of CO2[1,2] [0.984204  0.0110574]

    <matplotlib.lines.Line2D object at 0x7f848b38efa0>



.. GENERATED FROM PYTHON SOURCE LINES 54-55

Set the abundance of CO2(626) to 0.8; and the abundance of CO2(636) to 0.2 (arbitrary):

.. GENERATED FROM PYTHON SOURCE LINES 55-59

.. code-block:: default

    sf.set_abundance("CO2", [1, 2], [0.8, 0.2])
    print("New abundance of CO2[1,2]", sf.get_abundance("CO2", [1, 2]))

    sf.eq_spectrum(2000).plot("abscoeff", nfig="same")



.. image-sg:: /auto_examples/images/sphx_glr_plot_custom_abundances_002.png
   :alt: plot custom abundances
   :srcset: /auto_examples/images/sphx_glr_plot_custom_abundances_002.png
   :class: sphx-glr-single-img


.. rst-class:: sphx-glr-script-out

 .. code-block:: none

    New abundance of CO2[1,2] [0.8 0.2]

    <matplotlib.lines.Line2D object at 0x7f846d346ee0>




.. rst-class:: sphx-glr-timing

   **Total running time of the script:** ( 0 minutes  1.649 seconds)


.. _sphx_glr_download_auto_examples_plot_custom_abundances.py:

.. only:: html

  .. container:: sphx-glr-footer sphx-glr-footer-example


    .. container:: sphx-glr-download sphx-glr-download-python

      :download:`Download Python source code: plot_custom_abundances.py <plot_custom_abundances.py>`

    .. container:: sphx-glr-download sphx-glr-download-jupyter

      :download:`Download Jupyter notebook: plot_custom_abundances.ipynb <plot_custom_abundances.ipynb>`