fitroom.solver module

Created on Thu Aug 3 19:32:23 2017

@author: erwan

Machinery related to solving a specific Slabs configuration: parse the database, get the correct slab input, then calls the appropriate functions in neq.spec engine

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class SlabsConfigSolver(config, source=None, s_exp=None, plotquantity='radiance', unit='mW/cm2/sr/nm', slit=None, slit_options='default', crop=None, retrieve_mode='safe', verbose=True, retrieve_error='ignore')

Bases: object

Machinery related to solving a specific Slabs configuration: parse the database, get the correct slab input, then calls the appropriate functions in neq.spec engine

Parameters

• config (dict) – list of Slabs that represent the Spatial model (to solve RTE)

• source (‘database’, ‘calculate’, ‘from_bands’) – Whether to calculate spectra from scratch, retrieve them from a database, or combine vibrational bands Mode can be overriden by a ‘source’ parameter in every slab

• s_exp (Spectrum) – experimental spectrum

• plotquantity (‘radiance’, ‘transmittance_noslit’, etc.)

Other Parameters

• get_closest (bool) – when retrieving spectra from database, get cloest if set to True. Else get unique.

• slit_options –

  if 'default', use:

  {'norm_by':'area', 'shape':'triangular', 'unit':'nm', 'verbose':False}
  

  and adapt 'shape' to 'trapezoidal' if a tuple was given for slit

• crop (tuple, or None) – if not None, restrain to the given fitted interval.

• retrieve_error (‘ignore’, ‘raise’) – if Spectrum cannot be calculated or retrieved from Database, then returns None as a Spectrum object. The rest of the code should deal with it. Else, raises an error immediatly.

• retrieve_mode (‘safe’, ‘strict’, ‘closest’) –

  how to retrieve spectra when reading from database:

  • if ‘strict’, only retrieve the spectra that exactly match

  the given conditions (allow scaling path_length or mole_fraction, still)

  • if ‘safe’, requires an exact match for all conditions (as in

  ‘strict’), except for the 2 user defined variable conditions xparam and yparam

  • if ‘closest’, retrieves the closest spectrum in the database

    Warning

    ‘closest’ can induce user errors!!!. Ex: a Trot=1500 K spectrum can be used instead of a Trot=1550 K spectrum if the latter is not available, without user necessarily noticing. If you have any doubt, print the conditions of the spectra used in the tools. Ex:

    for s in gridTool.spectra:
        print(s)
    

Examples

Use Fitroom with on-the-fly calculated spectra

Use Fitroom with precomputed spectra

calc_slabs(**slabsconfig) → Union[radis.spectrum.spectrum.Spectrum, dict]

Parameters

slabsconfig – list of dictionaries. Each dictionary as a database key db and as many conditions to filter the database

connect(fitroom)

Triggered on connection to FitRoom

get_residual(s: radis.spectrum.spectrum.Spectrum, normalize=False, normalize_how='max')

Returns difference between experimental and simulated spectra By default, uses get_residual() function You can change the residual by overriding this function.

Examples

Replace get_residual with new_residual:

solver.get_residual = lambda s: new_residual(solver.s_exp, s, 'radiance')

Note that default solver would be written:

from radis import get_residual
solver.get_residual = lambda s: get_residual(solver.s_exp, s,
                                             solver.plotquantity,
                                             ignore_nan=True)

Parameters

• s (Spectrum object) – simulated spectrum to compare with (stored) experimental spectrum

• normalize (bool) – not implemented yet # TODO

Notes

Implementation:

interpolate experimental is harder (because of noise, and overlapping) we interpolate each new spectrum on the experiment

retrieve_error

‘ignore’, ‘raise’

Type

str

retrieve_mode

str ‘safe’, ‘strict’, ‘closest’