qpms/types.py

   1 """
   2 Here shall be defined some types that are needed across the individual
   3 modules of the qpms package and they do not belong logically to a single
   4 module.
   5 """
   6
   7 import collections
   8 import enum
   9
  10 class NormalizationT(enum.IntEnum):
  11     """ Corresponding to the c type qpms_normalization_t from translations.h """
  12     KRISTENSSON=2 # power-normalised, this should be the default in the future
  13     TAYLOR=1
  14     UNDEF=0
  15
  16 class BesselT(enum.IntEnum):
  17     """ Corresponding to the c type qpms_bessel_t from translations.h """
  18     BESSEL_REGULAR = 1
  19     BESSEL_SINGULAR = 2
  20     HANKEL_PLUS = 3
  21     HANKEL_MINUS = 4
  22     UNDEF = 0
  23
  24
  25 '''
  26 The namedtuples below might become classes or other objects in later versions.
  27 '''
  28
  29 TMatrixOp = collections.namedtuple('TMatrixOp',
  30         ['optype', 'content'])
  31
  32 TMatrixSpec = collections.namedtuple('TMatrixSpec',
  33         ['lMax_override', 'tmatrix_path', 'ops'])
  34 TMatrixSpec.__doc__ = """\
  35 Specification of a to-be-created TMatrix object.
  36
  37 lMax_override: int or None. If int and lower than the cutoff degree of the
  38 T-Matrix file located at tmatrix_path, lMax_override shall be used instead.
  39
  40 tmatrix_path: str. Location of the .TMatrix file to be loaded.
  41
  42 ops: sequence of TMatrixOp instances. The operations to be performed on
  43 top of the loaded .TMatrix files.
  44 """
  45
  46 ParticleSpec = collections.namedtuple('ParticleSpec', ['label', 'position', 'tmatrix_spec'])
  47 ParticleSpec.__doc___ = """\
  48 Specification of an individual scatterer, or a component scatterer
  49 of a lattice unit cell.
  50
  51 label: immutable (usually a string or None). Unique label of a unit cell
  52 component (and the corresponding sublattice).
  53
  54 position: tuple of floats (or similar, such as numpy array).
  55
  56 tmatrix_spec: TMatrixSpec or TMatrix instance.
  57 """
  58
  59 LatticeSpec = collections.namedtuple('LatticeSpec', ['basis', 'particle_set_specs'])
  60 LatticeSpec.__doc__ = """\
  61 Specification of a lattice, finite or infinite.
  62
  63 basis: tuple of basic vectors (tuples of floats or similar) (or similar,
  64 such as 2d numpy array), preferably of reduced basis.
  65
  66 particle_set_specs: sequence of tuples (particle_spec, selection) where
  67 particle_spec is a ParticleSpec and selection is a sequence of 2d integer
  68 coordinates/indices indicating which particles (TODO describe better)
  69 of that type shall be included in a finite lattice. Alternatively,
  70 selection can be None for an infinite lattice.
  71 """
  72