madman.analysis.absorbance

  1r"""Absorbance."""
  2
  3from collections.abc import Sequence
  4from numbers import Real
  5
  6import numpy as np
  7from matplotlib import pyplot as plt
  8
  9from madman.analysis.spectrum import (
 10    EnergySpectrumMeta,
 11    EnergySpectrum,
 12    PairResolvedEnergySpectrum,
 13    BandPairResolvedEnergySpectrum,
 14    CellPairResolvedEnergySpectrum,
 15)
 16
 17
 18class SpectralAbsorbanceMeta(EnergySpectrumMeta):
 19    r"""Metaclass of SpectralAbsorbance."""
 20
 21    @property
 22    def std_axes(cls) -> plt.Axes:
 23        r"""Standard axes to plot spectral absorbance."""
 24        _, ax = plt.subplots(tight_layout=True)
 25        ax.set_xlabel(r"Photon energy / $\mathrm{eV}$")
 26        ax.set_ylabel(r"Spectral absorbance")
 27        return ax
 28
 29
 30class SpectralAbsorbance(EnergySpectrum, metaclass=SpectralAbsorbanceMeta):
 31    r"""Spectral absorbance.
 32
 33    Note:
 34        `energies`: Photon energies [$\mathrm{eV}$].
 35        `values`: Spectral absorbance values.
 36    """
 37
 38    def __init__(
 39        self,
 40        energies: Sequence[Real, ...],
 41        values: Sequence[Real, ...],
 42        *,
 43        d_energy: Real | None = None,
 44    ) -> None:
 45        r"""Initialize SpectralAbsorbance object.
 46
 47        Args:
 48            energies: Photon energies [$\mathrm{eV}$].
 49            values: Spectral absorbance values.
 50            d_energy: Target photon energy increment [$\mathrm{eV}$].
 51
 52        Raises:
 53            ValueError: If there are negative photon energies.
 54            ValueError: If there are negative values.
 55            ValueError: If there are values greater than 1.
 56        """
 57        if np.less(energies, 0.0).any():
 58            raise ValueError("Negative photon energies!")
 59        if np.less(values, 0.0).any():
 60            value_min = np.amin(values)
 61            if not np.isclose(value_min, 0.0):
 62                raise ValueError("Negative values!")
 63        if np.greater(values, 1.0).any():
 64            value_max = np.amax(values)
 65            if not np.isclose(value_max, 1.0):
 66                raise ValueError("Values greater than 1!")
 67        super().__init__(energies, values, d_energy=d_energy)
 68
 69
 70class ResolvedSpectralAbsorbance(PairResolvedEnergySpectrum):
 71    r"""Resolved spectral absorbance.
 72
 73    Note:
 74        `energies`: Photon energies [$\mathrm{eV}$].
 75        `rsv_values`: Resolved spectral absorbance values.
 76    """
 77
 78
 79class BandResolvedSpectralAbsorbance(BandPairResolvedEnergySpectrum):
 80    r"""Band resolved spectral absorbance.
 81
 82    Note:
 83        `energies`: Photon energies [$\mathrm{eV}$].
 84        `rsv_values`: Band resolved spectral absorbance values.
 85
 86    Note:
 87        See `madman.analysis.spectrum.BandResolvedEnergySpectrum` for details.
 88    """
 89
 90
 91class CellResolvedSpectralAbsorbance(CellPairResolvedEnergySpectrum):
 92    r"""Cell resolved spectral absorbance.
 93
 94    Note:
 95        `energies`: Photon energies [$\mathrm{eV}$].
 96        `rsv_values`: Cell resolved spectral absorbance values.
 97
 98    Note:
 99        See `madman.analysis.spectrum.CellResolvedEnergySpectrum` for details.
100    """