.. DO NOT EDIT. .. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY. .. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE: .. "auto_examples/1_Spectra_handling/plot_exomol_spectrum.py" .. LINE NUMBERS ARE GIVEN BELOW. .. only:: html .. note:: :class: sphx-glr-download-link-note You can download :ref:`below ` the full example code and run it with 🔬 `Radis-Lab `__, .. rst-class:: sphx-glr-example-title .. _sphx_glr_auto_examples_1_Spectra_handling_plot_exomol_spectrum.py: ================================ Calculate a spectrum from ExoMol ================================ Auto-download and compute a SiO spectrum from the ExoMol database ([ExoMol-2020]_) .. GENERATED FROM PYTHON SOURCE LINES 10-28 .. code-block:: Python from radis import calc_spectrum s = calc_spectrum( 1080, 1320, # cm-1 molecule="SiO", isotope="1", pressure=1.01325, # bar Tgas=1000, # K mole_fraction=0.1, path_length=1, # cm databank=("exomol", "EBJT"), # Simply use 'exomol' for the recommended database ) s.apply_slit(1, "cm-1") # simulate an experimental slit s.plot("radiance") .. image-sg:: /auto_examples/1_Spectra_handling/images/sphx_glr_plot_exomol_spectrum_001.png :alt: plot exomol spectrum :srcset: /auto_examples/1_Spectra_handling/images/sphx_glr_plot_exomol_spectrum_001.png :class: sphx-glr-single-img .. rst-class:: sphx-glr-script-out .. code-block:: none /home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/develop/radis/db/molparam.py:252: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead ========== Loading Exomol database [start] ========== => Downloading from http://www.exomol.com/db/SiO/28Si-16O/EBJT/28Si-16O__EBJT.def => Downloading from http://www.exomol.com/db/SiO/28Si-16O/EBJT/28Si-16O__EBJT.pf => Downloading from http://www.exomol.com/db/SiO/28Si-16O/EBJT/28Si-16O__EBJT.states.bz2 => Downloading from http://www.exomol.com/db/SiO/28Si-16O/28Si-16O__H2.broad => Downloading from http://www.exomol.com/db/SiO/28Si-16O/28Si-16O__He.broad => Downloading from http://www.exomol.com/db/SiO/28Si-16O/28Si-16O__air.broad Error: Couldn't download .broad file at http://www.exomol.com/db/SiO/28Si-16O/28Si-16O__air.broad and save. Note: Caching states data to the vaex format. After the second time, it will become much faster. Molecule: SiO Isotopologue: 28Si-16O Background atmosphere: Air ExoMol database: EBJT Local folder: /home/docs/.radisdb/exomol/SiO/28Si-16O/EBJT Transition files: => File 28Si-16O__EBJT.trans => Downloading from http://www.exomol.com/db/SiO/28Si-16O/EBJT/28Si-16O__EBJT.trans.bz2 => Caching the *.trans.bz2 file to the vaex (*.h5) format. After the second time, it will become much faster. => You can deleted the 'trans.bz2' file by hand. /home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/develop/radis/api/exomolapi.py:1258: UserWarning: Could not load `28Si-16O__Air.broad`. The default broadening parameters are used. /home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/develop/radis/db/molparam.py:252: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead ========== Loading Exomol database [end] ========== /home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/develop/radis/misc/warning.py:427: MissingPressureShiftWarning: Pressure-shift coefficient not given in database: assumed 0 pressure shift Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 1000 K Trot 1000 K Tvib 1000 K isotope 1 mole_fraction 0.1 molecule SiO overpopulation None path_length 1 cm pressure 1.01325 bar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 1320.0000 cm-1 wavenum_min 1080.0000 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-27 cm-1/(#.cm-2) dbformat exomol-radisdb dbpath /home/docs/.radisdb/exomol/SiO/28Si-16O/EBJT folding_thresh 1e-06 include_neighbouring_lines True memory_mapping_engine auto neighbour_lines 0 cm-1 optimization simple parfuncfmt exomol parsum_mode full summation pseudo_continuum_threshold 0 sparse_ldm True truncation 50 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 24001 ---------------------------------------- 0.03s - Spectrum calculated .. GENERATED FROM PYTHON SOURCE LINES 29-41 .. code-block:: Python """ExoMol lines can be downloaded and accessed separately using :py:func:`~radis.io.exomol.fetch_exomol` """ # See line data: from radis.io.exomol import fetch_exomol df = fetch_exomol("SiO", database="EBJT", isotope="1", load_wavenum_max=5000) print(df) .. rst-class:: sphx-glr-script-out .. code-block:: none ========== Loading Exomol database [start] ========== => Downloading from http://www.exomol.com/db/SiO/28Si-16O/28Si-16O__H2.broad => Downloading from http://www.exomol.com/db/SiO/28Si-16O/28Si-16O__He.broad => Downloading from http://www.exomol.com/db/SiO/28Si-16O/28Si-16O__air.broad Error: Couldn't download .broad file at http://www.exomol.com/db/SiO/28Si-16O/28Si-16O__air.broad and save. Molecule: SiO Isotopologue: 28Si-16O Background atmosphere: Air ExoMol database: EBJT Local folder: /home/docs/.radisdb/exomol/SiO/28Si-16O/EBJT Transition files: => File 28Si-16O__EBJT.trans /home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/develop/radis/api/exomolapi.py:1258: UserWarning: Could not load `28Si-16O__Air.broad`. The default broadening parameters are used. /home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/develop/radis/db/molparam.py:252: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead ========== Loading Exomol database [end] ========== i_upper i_lower A ... int airbrd Tdpair 0 24300 24299 1.926600e-12 ... 3.923990e-167 0.07 0.5 1 4698 5073 3.431600e-10 ... 2.626438e-202 0.07 0.5 2 24273 24272 1.652000e-10 ... 2.386983e-165 0.07 0.5 3 24301 24300 1.725200e-11 ... 2.947629e-166 0.07 0.5 4 24232 24231 7.675700e-10 ... 1.291448e-164 0.07 0.5 ... ... ... ... ... ... ... ... 249599 3769 1818 2.429700e-04 ... 3.947150e-91 0.07 0.5 249600 8052 6269 1.481800e-02 ... 2.484685e-72 0.07 0.5 249601 8693 6938 1.601100e-02 ... 1.337757e-67 0.07 0.5 249602 8659 6904 1.166600e-02 ... 3.267363e-66 0.07 0.5 249603 7665 5871 3.160000e-03 ... 4.399687e-64 0.07 0.5 [249604 rows x 11 columns] .. GENERATED FROM PYTHON SOURCE LINES 42-43 See the list of recommended databases for the 1st isotope of SiO : .. GENERATED FROM PYTHON SOURCE LINES 43-50 .. code-block:: Python from radis.io.exomol import get_exomol_database_list, get_exomol_full_isotope_name databases, recommended = get_exomol_database_list( "SiO", get_exomol_full_isotope_name("SiO", 1) ) print("Databases for SiO: ", databases) print("Database recommended by ExoMol: ", recommended) .. rst-class:: sphx-glr-script-out .. code-block:: none Databases for SiO: ['Kurucz-SiO', 'EBJT', 'xsec-SiOUVenIR', 'SiOUVenIR'] Database recommended by ExoMol: SiOUVenIR .. rst-class:: sphx-glr-timing **Total running time of the script:** (0 minutes 9.618 seconds) .. _sphx_glr_download_auto_examples_1_Spectra_handling_plot_exomol_spectrum.py: .. only:: html .. container:: sphx-glr-footer sphx-glr-footer-example .. container:: sphx-glr-download sphx-glr-download-jupyter :download:`Download Jupyter notebook: plot_exomol_spectrum.ipynb ` .. container:: sphx-glr-download sphx-glr-download-python :download:`Download Python source code: plot_exomol_spectrum.py `