.. DO NOT EDIT. .. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY. .. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE: .. "examples/plot_onfly_calculation_spectra.py" .. LINE NUMBERS ARE GIVEN BELOW. .. only:: html .. note:: :class: sphx-glr-download-link-note Click :ref:`here ` to download the full example code .. rst-class:: sphx-glr-example-title .. _sphx_glr_examples_plot_onfly_calculation_spectra.py: ============================================== Use Fitroom with on-the-fly calculated spectra ============================================== Compare experimental spectrum to a combination of precomputed spectra powered by the RADIS :py:class:`~radis.tools.database.SpecDatabase` class Description ----------- Functions to build a 2D, multislabs fitting room with a pure Python (Matplotlib) interface that displays: - :py:class:`~fitroom.selection_tool.CaseSelector` : a window to select conditions along two axis (to calculate, or retrieve from a database) - :py:class:`~fitroom.grid3x3_tool.Grid3x3` : a window to plot 9 spectra corresponding to left, right and center conditions - :py:class:`~fitroom.multislab_tool.MultiSlabPlot` : a window to decompose the center slab along the different slabs This example calculates spectra on-fly. Calculated spectra are stored in a "HITRAN_CO2_test_spec_database" folder to be re-used, using the :py:meth:`~radis.lbl.loader.DatabankLoader.init_database` method of :py:class:`~radis.lbl.factory.SpectrumFactory` .. GENERATED FROM PYTHON SOURCE LINES 34-62 .. code-block:: default import warnings from radis.los.slabs import SerialSlabs#, MergeSlabs from radis.test.utils import setup_test_line_databases import numpy as np from numpy import linspace from fitroom import CaseSelector from fitroom import Grid3x3 from fitroom import MultiSlabPlot from fitroom import SlabsConfigSolver from fitroom import FitRoom from fitroom import SlitTool #from fitroom.tools import Normalizer from radis import SpectrumFactory from radis import Spectrum from os.path import join, dirname import matplotlib.pyplot as plt plt.ion() # interactive mode; do not block figures TEST_FOLDER_PATH = dirname(".") def getTestFile(file): ''' Return the full path of a test file. Used by test functions not to worry about the project architecture''' return join(TEST_FOLDER_PATH, file) .. GENERATED FROM PYTHON SOURCE LINES 63-64 ----------------------------------------------------------------------------- .. GENERATED FROM PYTHON SOURCE LINES 64-76 .. code-block:: default wav_min = 4165 wav_max = 4200 setup_test_line_databases() # registers "HITRAN-CO2-TEST" for this example sf2 = SpectrumFactory(wavelength_min=wav_min, wavelength_max=wav_max, cutoff=1e-25, isotope=[1, 2], medium='air') sf2.load_databank('HITRAN-CO2-TEST') sf2.init_database('HITRAN_CO2_test_spec_database') .. rst-class:: sphx-glr-script-out Out: .. code-block:: none Added HITRAN-CO2-TEST database in /home/docs/radis.json Added HITRAN-CO-TEST database in /home/docs/radis.json Added HITEMP-CO2-TEST database in /home/docs/radis.json Added HITEMP-CO2-HAMIL-TEST database in /home/docs/radis.json Using database: HITRAN-CO2-TEST 'HITRAN-CO2-TEST': {'info': 'HITRAN 2016 database, CO2, 1 main isotope (CO2-626), bandhead: 2380-2398 cm-1 (4165-4200 nm)', 'path': ['/home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/radis/test/files/hitran_co2_626_bandhead_4165_4200nm.par'], 'format': 'hitran', 'parfuncfmt': 'hapi', 'levelsfmt': 'radis'} Generating cache file /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/radis/test/files/hitran_co2_626_bandhead_4165_4200nm.h5 with metadata : {'last_modification': 'Sat Oct 2 15:30:33 2021', 'wavenum_min': 2380.019436, 'wavenum_max': 2399.965532} Reference databank (2380.31-2399.97cm-1) has 0 lines in range (2380.30-2400.31cm-1) for isotope 2. Change your range or isotope options /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/radis/misc/log.py:54: UserWarning: Reference databank (2380.31-2399.97cm-1) has 0 lines in range (2380.30-2400.31cm-1) for isotope 2. Change your range or isotope options warn(msg) HAPI version: 1.2.2.0 To get the most up-to-date version please check http://hitran.org/hapi ATTENTION: Python versions of partition sums from TIPS-2021 are now available in HAPI code MIT license: Copyright 2021 HITRAN team, see more at http://hitran.org. If you use HAPI in your research or software development, please cite it using the following reference: R.V. Kochanov, I.E. Gordon, L.S. Rothman, P. Wcislo, C. Hill, J.S. Wilzewski, HITRAN Application Programming Interface (HAPI): A comprehensive approach to working with spectroscopic data, J. Quant. Spectrosc. Radiat. Transfer 177, 15-30 (2016) DOI: 10.1016/j.jqsrt.2016.03.005 ATTENTION: This is the core version of the HITRAN Application Programming Interface. For more efficient implementation of the absorption coefficient routine, as well as for new profiles, parameters and other functional, please consider using HAPI2 extension library. HAPI2 package is available at http://github.com/hitranonline/hapi2 Database HITRAN_CO2_test_spec_database initialised in *** Loading the database with 1 processor (0 files)*** .. GENERATED FROM PYTHON SOURCE LINES 77-190 .. code-block:: default slbPlasmaCO2 = {'factory': sf2, 'Tgas': 1500, # 'Tvib':1100, # 'Trot':1200, 'path_length': 0.02, 'mole_fraction': 0.6, } slbPostCO2 = {'factory': sf2, 'Tgas': 350, 'path_length': 0.7, #'mole_fraction':DynVar('sPlasmaCO2', 'mole_fraction'), # TODO: line above doesnt work with precompute residual. Fix it! 'mole_fraction': 1, } slbRoomCO2 = {'factory': sf2, 'Tgas': 300, 'path_length': 373, # cm 'mole_fraction': 400e-6, } Slablist = {'sPlasmaCO2': slbPlasmaCO2, 'sPostCO2': slbPostCO2, 'sRoomCO2': slbRoomCO2} def config(**slabs): ''' args must correspond to slablist. Indexes and order is important ''' return SerialSlabs(slabs['sPlasmaCO2'], slabs['sPostCO2'], slabs['sRoomCO2']) # Sensibility analysis slbInteractx = 'sPlasmaCO2' xparam = 'Tgas' slbInteracty = 'sPlasmaCO2' yparam = 'mole_fraction' xstep = 0.2 ystep = 0.2 # Slit slit = (1.63, 2.33) # what to plot: 'radiance' or 'transmittance' plotquantity = 'radiance' unit = 'mW/cm2/sr/nm' wunit = 'nm' #unit = 'default' s_exp = Spectrum.from_txt(getTestFile(r"measured_co2_bandhead_10kHz_30us.txt"), quantity=plotquantity, wunit=wunit, unit=unit, conditions={'medium': 'air'}).offset(-0.5, 'nm') normalizer = None # Normalizer(4173, 4180, how='mean') # ----------------------------------------------------------------------------- # NON USER PARAM PART # ----------------------------------------------------------------------------- warnings.filterwarnings("ignore", "Using default event loop until function specific" + "to this GUI is implemented") fitroom = FitRoom(Slablist, slbInteractx, slbInteracty, xparam, yparam) solver = SlabsConfigSolver(config=config, source='calculate', s_exp=s_exp, plotquantity=plotquantity, unit=unit, slit=slit) gridTool = Grid3x3(slbInteractx=slbInteractx, slbInteracty=slbInteracty, xparam=xparam, yparam=yparam, plotquantity=plotquantity, unit=unit, normalizer=normalizer, s_exp=s_exp) slabsTool = MultiSlabPlot(plotquantity=plotquantity, unit=unit, normalizer=normalizer, s_exp=s_exp, nfig=3) selectTool = CaseSelector(xparam=xparam, yparam=yparam, slbInteractx=slbInteractx, slbInteracty=slbInteracty, nfig=1) slitTool = SlitTool('nm') # getTestFile('slitfunction.txt')) fitroom.add_tool(solver) fitroom.add_tool(gridTool) fitroom.add_tool(slabsTool) fitroom.add_tool(selectTool) # Map x, y # ----------- xvar = Slablist[slbInteractx][xparam] yvar = Slablist[slbInteracty][yparam] xspace = linspace(xvar*(1-xstep), xvar*(1+xstep), 3) yspace = linspace(yvar*(1+ystep), yvar*(1-ystep), 3) gridTool.plot_3times3(xspace, yspace) fitroom.add_tool(slitTool) select_xspace = (xspace.min()*0.9, xspace.max()*1.1) select_yspace = (yspace.min()*0.9, yspace.max()*1.1) selectTool.ax.set_xlim(*select_xspace) selectTool.ax.set_ylim(*select_yspace) # Precompute residual for all points # -------------- selectTool.precompute_residual(Slablist, # plotquantity='radiance', xspace=np.linspace(300, 2000, 3), yspace=np.linspace(0, 1, 3)) plt.show() .. rst-class:: sphx-glr-horizontal * .. image-sg:: /examples/images/sphx_glr_plot_onfly_calculation_spectra_001.png :alt: plot onfly calculation spectra :srcset: /examples/images/sphx_glr_plot_onfly_calculation_spectra_001.png :class: sphx-glr-multi-img * .. image-sg:: /examples/images/sphx_glr_plot_onfly_calculation_spectra_002.png :alt: sPlasmaCO2 - path_length:0.02 || sPostCO2 - Tgas:350 path_length:0.7 mole_fraction:1 || sRoomCO2 - Tgas:300 path_length:373 mole_fraction:0.0004, Tgas 1200.0, Tgas 1500.0, Tgas 1800.0 :srcset: /examples/images/sphx_glr_plot_onfly_calculation_spectra_002.png :class: sphx-glr-multi-img * .. image-sg:: /examples/images/sphx_glr_plot_onfly_calculation_spectra_003.png :alt: plot onfly calculation spectra :srcset: /examples/images/sphx_glr_plot_onfly_calculation_spectra_003.png :class: sphx-glr-multi-img * .. image-sg:: /examples/images/sphx_glr_plot_onfly_calculation_spectra_004.png :alt: FWHM 1.97nm, effective 1.98nm :srcset: /examples/images/sphx_glr_plot_onfly_calculation_spectra_004.png :class: sphx-glr-multi-img .. rst-class:: sphx-glr-script-out Out: .. code-block:: none /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/fitroom/selection_tool.py:131: UserWarning: Attempting to set identical left == right == 0 results in singular transformations; automatically expanding. ax.set_xlim((xmin, xmax)) /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/fitroom/selection_tool.py:132: UserWarning: Attempting to set identical bottom == top == 0 results in singular transformations; automatically expanding. ax.set_ylim((ymin, ymax)) Adding SlabsConfigSolver Adding Grid3x3 Adding MultiSlabPlot Adding CaseSelector /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/radis/misc/warning.py:350: HighTemperatureWarning: HITRAN is valid for low temperatures (typically < 700 K). For higher temperatures you may need HITEMP or CDSD. See the 'databank=' parameter warnings.warn(WarningType(message)) /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/radis/tools/database.py:1224: UserWarning: Empty database warn("Empty database") No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 1200.0 K Trot 1200.0 K Tvib 1200.0 K isotope 1,2 mole_fraction 0.48 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used None broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding -1 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/json_tricks/encoders.py:367: UserWarning: json-tricks: numpy scalar serialization is experimental and may work differently in future versions warnings.warn('json-tricks: numpy scalar serialization is experimental and may work differently in future versions') Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib1200K_Trot1200K.spec (0.1Mb) loaded 20211002_Tvib1200K_Trot1200K.spec 0.06s - Spectrum calculated No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 350 K Trot 350 K Tvib 350 K isotope 1,2 mole_fraction 1 molecule CO2 overpopulation None path_length 0.7 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib350K_Trot350K.spec (0.1Mb) loaded 20211002_Tvib350K_Trot350K.spec 0.05s - Spectrum calculated No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 300 K Trot 300 K Tvib 300 K isotope 1,2 mole_fraction 0.0004 molecule CO2 overpopulation None path_length 373 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib300K_Trot300K.spec (0.1Mb) loaded 20211002_Tvib300K_Trot300K.spec 0.05s - Spectrum calculated /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/radis/misc/warning.py:350: HighTemperatureWarning: HITRAN is valid for low temperatures (typically < 700 K). For higher temperatures you may need HITEMP or CDSD. See the 'databank=' parameter warnings.warn(WarningType(message)) No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 1200.0 K Trot 1200.0 K Tvib 1200.0 K isotope 1,2 mole_fraction 0.6 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Warning. File already exists. Filename is incremented Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib1200K_Trot1200K_1.spec (0.1Mb) loaded 20211002_Tvib1200K_Trot1200K_1.spec 0.06s - Spectrum calculated Spectrum found in database! Spectrum found in database! /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/radis/misc/warning.py:350: HighTemperatureWarning: HITRAN is valid for low temperatures (typically < 700 K). For higher temperatures you may need HITEMP or CDSD. See the 'databank=' parameter warnings.warn(WarningType(message)) No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 1200.0 K Trot 1200.0 K Tvib 1200.0 K isotope 1,2 mole_fraction 0.72 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Warning. File already exists. Filename is incremented Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib1200K_Trot1200K_2.spec (0.1Mb) loaded 20211002_Tvib1200K_Trot1200K_2.spec 0.05s - Spectrum calculated Spectrum found in database! Spectrum found in database! /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/radis/misc/warning.py:350: HighTemperatureWarning: HITRAN is valid for low temperatures (typically < 700 K). For higher temperatures you may need HITEMP or CDSD. See the 'databank=' parameter warnings.warn(WarningType(message)) No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 1500.0 K Trot 1500.0 K Tvib 1500.0 K isotope 1,2 mole_fraction 0.48 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib1500K_Trot1500K.spec (0.1Mb) loaded 20211002_Tvib1500K_Trot1500K.spec 0.05s - Spectrum calculated Spectrum found in database! Spectrum found in database! /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/radis/misc/warning.py:350: HighTemperatureWarning: HITRAN is valid for low temperatures (typically < 700 K). For higher temperatures you may need HITEMP or CDSD. See the 'databank=' parameter warnings.warn(WarningType(message)) No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 1500.0 K Trot 1500.0 K Tvib 1500.0 K isotope 1,2 mole_fraction 0.6 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Warning. File already exists. Filename is incremented Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib1500K_Trot1500K_1.spec (0.1Mb) loaded 20211002_Tvib1500K_Trot1500K_1.spec 0.05s - Spectrum calculated Spectrum found in database! Spectrum found in database! /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/radis/misc/warning.py:350: HighTemperatureWarning: HITRAN is valid for low temperatures (typically < 700 K). For higher temperatures you may need HITEMP or CDSD. See the 'databank=' parameter warnings.warn(WarningType(message)) No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 1500.0 K Trot 1500.0 K Tvib 1500.0 K isotope 1,2 mole_fraction 0.72 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Warning. File already exists. Filename is incremented Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib1500K_Trot1500K_2.spec (0.1Mb) loaded 20211002_Tvib1500K_Trot1500K_2.spec 0.06s - Spectrum calculated Spectrum found in database! Spectrum found in database! /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/radis/misc/warning.py:350: HighTemperatureWarning: HITRAN is valid for low temperatures (typically < 700 K). For higher temperatures you may need HITEMP or CDSD. See the 'databank=' parameter warnings.warn(WarningType(message)) No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 1800.0 K Trot 1800.0 K Tvib 1800.0 K isotope 1,2 mole_fraction 0.48 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib1800K_Trot1800K.spec (0.1Mb) loaded 20211002_Tvib1800K_Trot1800K.spec 0.05s - Spectrum calculated Spectrum found in database! Spectrum found in database! /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/radis/misc/warning.py:350: HighTemperatureWarning: HITRAN is valid for low temperatures (typically < 700 K). For higher temperatures you may need HITEMP or CDSD. See the 'databank=' parameter warnings.warn(WarningType(message)) No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 1800.0 K Trot 1800.0 K Tvib 1800.0 K isotope 1,2 mole_fraction 0.6 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Warning. File already exists. Filename is incremented Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib1800K_Trot1800K_1.spec (0.1Mb) loaded 20211002_Tvib1800K_Trot1800K_1.spec 0.05s - Spectrum calculated Spectrum found in database! Spectrum found in database! /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/radis/misc/warning.py:350: HighTemperatureWarning: HITRAN is valid for low temperatures (typically < 700 K). For higher temperatures you may need HITEMP or CDSD. See the 'databank=' parameter warnings.warn(WarningType(message)) No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 1800.0 K Trot 1800.0 K Tvib 1800.0 K isotope 1,2 mole_fraction 0.72 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Warning. File already exists. Filename is incremented Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib1800K_Trot1800K_2.spec (0.1Mb) loaded 20211002_Tvib1800K_Trot1800K_2.spec 0.05s - Spectrum calculated Spectrum found in database! Spectrum found in database! Adding SlitTool /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/fitroom/selection_tool.py:423: FutureWarning: elementwise comparison failed; returning scalar instead, but in the future will perform elementwise comparison if xspace == 'database': /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/fitroom/selection_tool.py:425: FutureWarning: elementwise comparison failed; returning scalar instead, but in the future will perform elementwise comparison if yspace == 'database': (0s) 0.0% No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 300.0 K Trot 300.0 K Tvib 300.0 K isotope 1,2 mole_fraction 0.0 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Warning. File already exists. Filename is incremented Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib300K_Trot300K_1.spec (0.0Mb) loaded 20211002_Tvib300K_Trot300K_1.spec 0.04s - Spectrum calculated Spectrum found in database! Spectrum found in database! No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 300.0 K Trot 300.0 K Tvib 300.0 K isotope 1,2 mole_fraction 0.5 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Warning. File already exists. Filename is incremented Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib300K_Trot300K_2.spec (0.1Mb) loaded 20211002_Tvib300K_Trot300K_2.spec 0.05s - Spectrum calculated Spectrum found in database! Spectrum found in database! No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 300.0 K Trot 300.0 K Tvib 300.0 K isotope 1,2 mole_fraction 1.0 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Warning. File already exists. Filename is incremented Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib300K_Trot300K_3.spec (0.1Mb) loaded 20211002_Tvib300K_Trot300K_3.spec 0.05s - Spectrum calculated Spectrum found in database! Spectrum found in database! (1s) 33.3% No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 1150.0 K Trot 1150.0 K Tvib 1150.0 K isotope 1,2 mole_fraction 0.0 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib1150K_Trot1150K.spec (0.0Mb) loaded 20211002_Tvib1150K_Trot1150K.spec 0.05s - Spectrum calculated Spectrum found in database! Spectrum found in database! No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 1150.0 K Trot 1150.0 K Tvib 1150.0 K isotope 1,2 mole_fraction 0.5 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Warning. File already exists. Filename is incremented Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib1150K_Trot1150K_1.spec (0.1Mb) loaded 20211002_Tvib1150K_Trot1150K_1.spec 0.06s - Spectrum calculated Spectrum found in database! Spectrum found in database! No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 1150.0 K Trot 1150.0 K Tvib 1150.0 K isotope 1,2 mole_fraction 1.0 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Warning. File already exists. Filename is incremented Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib1150K_Trot1150K_2.spec (0.1Mb) loaded 20211002_Tvib1150K_Trot1150K_2.spec 0.06s - Spectrum calculated Spectrum found in database! Spectrum found in database! (1s) 66.7% No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 2000.0 K Trot 2000.0 K Tvib 2000.0 K isotope 1,2 mole_fraction 0.0 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib2000K_Trot2000K.spec (0.0Mb) loaded 20211002_Tvib2000K_Trot2000K.spec 0.05s - Spectrum calculated Spectrum found in database! Spectrum found in database! No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 2000.0 K Trot 2000.0 K Tvib 2000.0 K isotope 1,2 mole_fraction 0.5 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Warning. File already exists. Filename is incremented Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib2000K_Trot2000K_1.spec (0.1Mb) loaded 20211002_Tvib2000K_Trot2000K_1.spec 0.06s - Spectrum calculated Spectrum found in database! Spectrum found in database! No spectrum found in database that matched given conditions. Calculating Equilibrium Spectrum Physical Conditions ---------------------------------------- Tgas 2000.0 K Trot 2000.0 K Tvib 2000.0 K isotope 1,2 mole_fraction 1.0 molecule CO2 overpopulation None path_length 0.02 cm pressure_mbar 1013.25 mbar rot_distribution boltzmann self_absorption True state X vib_distribution boltzmann wavenum_max 2400.3058 cm-1 wavenum_min 2380.3033 cm-1 Computation Parameters ---------------------------------------- Tref 296 K add_at_used numpy broadening_method voigt cutoff 1e-25 cm-1/(#.cm-2) dbformat hitran dbpath /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/rad... dlm_log_pG 0.1375350788016573 dlm_log_pL 0.20180288881201608 export_rovib_fraction False folding_thresh 1e-06 hdf5_engine pytables include_neighbouring_lines True levelsfmt radis neighbour_lines 0 cm-1 optimization simple parfuncfmt hapi parfuncpath None parsum_mode full summation pseudo_continuum_threshold 0 truncation 50 cm-1 wavenum_max_calc 2400.3058 cm-1 wavenum_min_calc 2380.3033 cm-1 waveunit cm-1 wstep 0.01 cm-1 zero_padding 2002 Information ---------------------------------------- chunksize None db_use_cached True export_lines False export_populations None load_energies False lvl_use_cached True total_lines 327 warning_broadening_threshold 0.01 warning_linestrength_cutoff 0.01 ---------------------------------------- Warning. File already exists. Filename is incremented Spectrum stored in HITRAN_CO2_test_spec_database/20211002_Tvib2000K_Trot2000K_2.spec (0.1Mb) loaded 20211002_Tvib2000K_Trot2000K_2.spec 0.06s - Spectrum calculated Spectrum found in database! Spectrum found in database! (2s) 100.0% /home/docs/checkouts/readthedocs.org/user_builds/fitroom/envs/latest/lib/python3.8/site-packages/fitroom/selection_tool.py:500: UserWarning: This figure includes Axes that are not compatible with tight_layout, so results might be incorrect. plt.tight_layout() .. rst-class:: sphx-glr-timing **Total running time of the script:** ( 0 minutes 11.547 seconds) .. _sphx_glr_download_examples_plot_onfly_calculation_spectra.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: plot_onfly_calculation_spectra.py ` .. container:: sphx-glr-download sphx-glr-download-jupyter :download:`Download Jupyter notebook: plot_onfly_calculation_spectra.ipynb ` .. only:: html .. rst-class:: sphx-glr-signature `Gallery generated by Sphinx-Gallery `_