pyLBL package

Subpackages

• pyLBL.arts_crossfit package
  • Submodules
  • pyLBL.arts_crossfit.cross_section module
    • CrossSection
      • CrossSection.absorption_coefficient()
  • pyLBL.arts_crossfit.webapi module
    • download()
  • pyLBL.arts_crossfit.xsec_aux_functions module
    • calculate_xsec()
    • calculate_xsec_fullmodel()
  • Module contents
• pyLBL.c_lib package
  • Submodules
  • pyLBL.c_lib.gas_optics module
    • Gas
      • Gas.database
      • Gas.formula
      • Gas.absorption_coefficient()
    • check_return_code()
  • Module contents
• pyLBL.mt_ckd package
  • Submodules
  • pyLBL.mt_ckd.carbon_dioxide module
    • CarbonDioxideContinuum
    • CarbonDioxideHartmannContinuum
      • CarbonDioxideHartmannContinuum.data
      • CarbonDioxideHartmannContinuum.t_correction
      • CarbonDioxideHartmannContinuum.xfac_co2
      • CarbonDioxideHartmannContinuum.grid()
      • CarbonDioxideHartmannContinuum.spectra()
  • pyLBL.mt_ckd.nitrogen module
    • NitrogenCIAFirstOvertoneContinuum
      • NitrogenCIAFirstOvertoneContinuum.grid()
      • NitrogenCIAFirstOvertoneContinuum.spectra()
    • NitrogenCIAFundamentalContinuum
      • NitrogenCIAFundamentalContinuum.grid()
      • NitrogenCIAFundamentalContinuum.spectra()
    • NitrogenCIAPureRotationContinuum
      • NitrogenCIAPureRotationContinuum.grid()
      • NitrogenCIAPureRotationContinuum.spectra()
    • NitrogenContinuum
  • pyLBL.mt_ckd.oxygen module
    • OxygenCIAFundamentalContinuum
      • OxygenCIAFundamentalContinuum.grid()
      • OxygenCIAFundamentalContinuum.spectra()
    • OxygenCIANIR2Continuum
      • OxygenCIANIR2Continuum.grid()
      • OxygenCIANIR2Continuum.spectra()
    • OxygenCIANIR3Continuum
      • OxygenCIANIR3Continuum.grid()
      • OxygenCIANIR3Continuum.spectra()
    • OxygenCIANIRContinuum
      • OxygenCIANIRContinuum.grid()
      • OxygenCIANIRContinuum.spectra()
    • OxygenContinuum
    • OxygenHerzbergContinuum
      • OxygenHerzbergContinuum.grid()
      • OxygenHerzbergContinuum.spectra()
    • OxygenUVContinuum
      • OxygenUVContinuum.grid()
      • OxygenUVContinuum.spectra()
    • OxygenVisibleContinuum
      • OxygenVisibleContinuum.grid()
      • OxygenVisibleContinuum.spectra()
  • pyLBL.mt_ckd.ozone module
    • OzoneChappuisWulfContinuum
      • OzoneChappuisWulfContinuum.data
      • OzoneChappuisWulfContinuum.grid()
      • OzoneChappuisWulfContinuum.spectra()
    • OzoneContinuum
    • OzoneHartleyHugginsContinuum
      • OzoneHartleyHugginsContinuum.data
      • OzoneHartleyHugginsContinuum.grid()
      • OzoneHartleyHugginsContinuum.spectra()
    • OzoneUVContinuum
      • OzoneUVContinuum.data
      • OzoneUVContinuum.grid()
      • OzoneUVContinuum.spectra()
  • pyLBL.mt_ckd.utils module
    • BandedContinuum
      • BandedContinuum.bands
      • BandedContinuum.path
      • BandedContinuum.spectra()
    • Continuum
      • Continuum.grid()
      • Continuum.spectra()
    • Spectrum
      • Spectrum.path
      • Spectrum.grid
      • Spectrum.wavenumbers()
    • air_number_density()
    • dry_air_number_density()
    • radiation_term()
    • subgrid_bounds()
  • pyLBL.mt_ckd.water_vapor module
    • WaterVaporARMSelfContinuum
      • WaterVaporARMSelfContinuum.data
      • WaterVaporARMSelfContinuum.grid()
      • WaterVaporARMSelfContinuum.spectra()
    • WaterVaporForeignContinuum
    • WaterVaporIASIForeignContinuum
      • WaterVaporIASIForeignContinuum.data
      • WaterVaporIASIForeignContinuum.scale
      • WaterVaporIASIForeignContinuum.grid()
      • WaterVaporIASIForeignContinuum.spectra()
    • WaterVaporSelfContinuum
  • Module contents
• pyLBL.pyarts_frontend package
  • Submodules
  • pyLBL.pyarts_frontend.frontend module
    • PyArtsGas
      • PyArtsGas.absorption_coefficient()
    • absorption_line()
    • absorption_lines()
  • Module contents
• pyLBL.webapi package
  • Submodules
  • pyLBL.webapi.hitran_api module
    • HitranWebApi
      • HitranWebApi.api_key
      • HitranWebApi.api_version
      • HitranWebApi.cross_section_directory
      • HitranWebApi.host
      • HitranWebApi.parameters
      • HitranWebApi.proxy
      • HitranWebApi.timestamp
      • HitranWebApi.transition_directory
      • HitranWebApi.download_cross_sections()
      • HitranWebApi.download_data_sources()
      • HitranWebApi.download_isotopologues()
      • HitranWebApi.download_molecules()
      • HitranWebApi.download_transitions()
    • NoCrossSectionError
    • NoIsotopologueError
    • NoTransitionsError
    • Query
      • Query.string
      • Query.process()
    • Struct
  • pyLBL.webapi.tips_api module
    • NoMoleculeError
    • TipsWebApi
      • TipsWebApi.url
      • TipsWebApi.download()
  • Module contents

Submodules

pyLBL.atmosphere module

Define how atmospheric inputs are handled.

class pyLBL.atmosphere.Atmosphere(dataset, mapping=None)

Bases: object

Atmospheric data container with basic data discover methods.

dataset

Input xarray Dataset.

pressure

xarray DataArray object for pressure [Pa].

temperature

xarray DataArray object for temperature [K].

gases

Dictionary of xarray DataArray objects for gas mole fractions [mol mol-1].

pyLBL.database module

Manages how the spectral input data is acquired and handled.

exception pyLBL.database.AliasNotFoundError

Bases: BaseException

class pyLBL.database.ArtsCrossFitTable(**kwargs)

Bases: Base

Arts-crossfit table schema.

id

molecule_id

path

exception pyLBL.database.CrossSectionNotFoundError

Bases: BaseException

class pyLBL.database.Database(path, echo=False)

Bases: object

Spectral line parameter database.

engine

SQLAlchemy Engine object.

arts_crossfit(name)

Queries the database for all parameters needed to run ARTS Crossfit.

Parameters:

name – String molecule alias.

Returns:

Path to the cross section dataset.

Raises:

CrossSectionNotFoundError if no cross sections are found. –

create(hitran_webapi, molecules='all', tips_webapi=None, cross_section_directory='.cross-sections')

Downloads data from HITRAN and TIPS and inserts it into the database tables.

Parameters:

• hitran_webapi – HitranWebApi object.

• molecules – List of string molecule chemical formulae.

• tips_webapi – TipsWebApi object.

• cross_section_directory – Directory to download cross sections to.

gas(name)

Queries the database for all parameters needed to run a line-by-line calculation.

Parameters:

name – String molecule alias.

Returns:

String chemical formula. mass: List of float isotopologue masses. transitions: List of TransitionTable objects. TotalPartionFunction: TotalPartitionFunction object.

Return type:

formula

molecules()

Queries the database for all molecules.

Returns:

List of string moelcule chemical formulae.

tips(name)

Queries the database for all parameters needed to run TIPS.

Parameters:

name – String molecule alias.

Returns:

Numpy array of temperatures. data: Numpy array of data values.

Return type:

temperature

Raises:

TipsDataNotFoundError if no TIPS data is found. –

class pyLBL.database.IsotopologueTable(**kwargs)

Bases: Base

Isotopologue database table schema.

abundance

id

iso_name

isoid

mass

molecule_id

exception pyLBL.database.IsotopologuesNotFoundError

Bases: BaseException

class pyLBL.database.MetadataTable(**kwargs)

Bases: Base

Table that describes when data was downloaded.

database

id

molecule_id

time

class pyLBL.database.MoleculeAliasTable(**kwargs)

Bases: Base

Molecule alias database table schema.

alias

id

molecule

class pyLBL.database.MoleculeTable(**kwargs)

Bases: Base

Molecule database table schema.

common_name

id

ordinary_formula

stoichiometric_formula

exception pyLBL.database.TipsDataNotFoundError

Bases: BaseException

class pyLBL.database.TipsTable(**kwargs)

Bases: Base

TIPS data table schema.

data

id

isotopologue_id

molecule_id

temperature

class pyLBL.database.TransitionTable(**kwargs)

Bases: Base

Transition database table schema.

delta_air

elower

gamma_air

gamma_self

global_iso_id

id

local_iso_id

molecule_id

n_air

nu

sw

exception pyLBL.database.TransitionsNotFoundError

Bases: BaseException

pyLBL.plugins module

Manage the model ‘back-ends’ using a plug-in model.

pyLBL.spectroscopy module

Provides a simplified API for calculating molecular line spectra.

class pyLBL.spectroscopy.MoleculeCache(name, grid, lines_database, lines_engine, continua_engine, cross_sections_engine)

Bases: object

Helper class that caches molecular data so it can be reused.

cross_section

Object controlling the current absorption cross section backend plugin.

gas

Object controlling the current lines backend plugin.

gas_continua

List of objects controlling the curret continua backend plugin.

class pyLBL.spectroscopy.Spectroscopy(atmosphere, grid, database, mapping=None, lines_backend='pyLBL', continua_backend='mt_ckd', cross_sections_backend='arts_crossfit')

Bases: object

Line-by-line gas optics.

atmosphere

Atmosphere object describing atmospheric conditions.

cache

Dictionary of MoleculeCache objects.

continua_backend

String name of model to use for the continua.

continua_engine

Object exposed by the current molecular continuum backed.

cross_section_backend

String name of model to use for the cross sections.

cross_section_engine

Object exposed by the current cross sections backend.

grid

Numpy array describing the spectral grid [cm-1].

lines_backend

String name of model to use for lines calculation.

lines_database

Database object controlling the spectral database.

lines_engine

Object exposed by the current molecular lines backend.

output

namedtuple object that stores some output dataset metadata.

compute_absorption(output_format='all', remove_pedestal=None)

Computes absorption coefficient [m-1] at specified wavenumbers given temperature,

pressure, and gas concentrations.

Parameters:

• output_format –

  String describing how the absorption data should be output. “all” - returns absorption spectra from all components (lines,

  continuum, cross section) for all gases separately.

  ”gas” - returns total absorption spectra for all gases

  separately.

  ”total” - returns the total spectra.

• remove_pedestal – Flag that allows the user to not subtract off the MT-CKD water vapor “pedestal” if desired.

Returns:

An xarray Dataset of absorption coefficients [m-1].

list_molecules()

Provides a list of molecules available in the specral lines database.

Returns:

List of string molecule formulae available in the specral lines database.

pyLBL.spectroscopy.number_density(temperature, pressure, volume_mixing_ratio)

Calculates the number density using the ideal gas law.

Parameters:

• temperature – Temperature [K].

• pressure – Pressure [Pa].

• volume_mixing_ratio – Volume-mixing ratio [mol mol-1].

Returns:

Number density [m-3].

pyLBL.tips module

Controls the TIPS (total internal partition function) calculations.

class pyLBL.tips.TotalPartitionFunction(molecule, temperature, data)

Bases: object

Total partition function, using data from TIPS 2017 (doi: 10.1016/j.jqsrt.2017.03.045).

data

Numpy array of total partition function values (isotopologue, temperature).

molecule

String molecule chemical formula.

temperature

Numpy array of temperatures [K].

property isotopologue

total_partition_function(temperature, isotopologue)

Interpolates the total partition function values from the TIPS 2017 table.

Parameters:

• temperature – Temperature [K].

• isotopologue – Isotopologue id.

Returns:

Total partition function.

Module contents