.. only:: html

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

        Click :ref:`here <sphx_glr_download_auto_examples_running on windows_pquad_windows.py>`     to download the full example code
    .. rst-class:: sphx-glr-example-title

    .. _sphx_glr_auto_examples_running on windows_pquad_windows.py:


====================================================
Python file created by .bat to run easily on Windows
====================================================

This script saves all relevant examples and lets you add your own data through a prompt.


.. code-block:: default

    import numpy as np
    from jl_exp_deconv import get_defaults
    from jl_exp_deconv import IR_Results
    from jl_exp_deconv.plotting_tools import set_figure_settings
    from ast import literal_eval

    set_figure_settings('paper')
    #frequency_range = np.linspace(850,1850,num=501,endpoint=True)
    frequency_range, pure_data_path, mixture_data_path_default, reaction_data_path_default = get_defaults()
    pca_to_keep = 4
    use_your_own = input('Do you want to use your own pure-data? Responds "yes" or "no" without quotes. \
    Respond no if you want to use the default pure data to train the model.: ').strip('\' \"')
    if use_your_own.lower() in ['yes', 'y']:
        pure_data_path = input('Please enter the directory to the pure-species data file: ').strip('\' \"')
        frequency_start = input('Please enter the lowest frequency to consider: ').strip('\' \"')
        frequency_end = input('Please enter the highest frequency to consider: ').strip('\' \"')
        pca_to_keep = input('Please enter the number of principal componets in the spectra to keep. \
    A good starting number is the number of pure-components: ').strip('\' \"')
        frequency_range = np.linspace(float(frequency_start),float(frequency_end),num=501,endpoint=True)
    mixture_data_path = input('Please enter the directory to the mixture data: ').strip('\' \"')
    output_folder = input('Please enter the directory to the save the data: ').strip('\' \"')
    True_or_False = input('Does the mixture data contain known concentrations? \
    Enter "True" or "False" without quotes. If True,\
    a parity plot is made. If False, the data is considred reaction data.: ').strip('\' \"')
    if True_or_False.lower() in ['yes', 'y', 'true', 't']:
        True_or_False = True
    elif True_or_False.lower() in ['no', 'n', 'false', 'f']:
        True_or_False = False
    contains_concentrations = True_or_False
    deconv = IR_Results(int(pca_to_keep), frequency_range, pure_data_path)
    deconv.set_mixture_data(mixture_data_path, contains_concentrations=contains_concentrations)
    if contains_concentrations == True:
        deconv.get_mixture_figures(output_folder)
        deconv.save_parity_data(output_folder)
        deconv.save_deconvoluted_spectra(output_folder)
    else:
        deconv.get_reaction_figures(output_folder)
        deconv.save_reaction_data(output_folder)

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

   **Total running time of the script:** ( 0 minutes  0.000 seconds)


.. _sphx_glr_download_auto_examples_running on windows_pquad_windows.py:


.. only :: html

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



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

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



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

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


.. only:: html

 .. rst-class:: sphx-glr-signature

    `Gallery generated by Sphinx-Gallery <https://sphinx-gallery.github.io>`_