dudom

Former-commit-id: 877c2c71178212397cdb72e18f54b9a884fb2951

qpms/scattering.py

@@ -183,6 +183,10 @@ class Scattering(object):
         _time_e(btime, verbose)
         return ab
 
+class LatticeScattering(Scattering):
+    def __init__(self, lattice_spec, k_0, zSym = False):
+
+
 """
 class Scattering_2D_lattice_rectcells(Scattering):
     def __init__(self, rectcell_dims, rectcell_elem_positions, cellspec, k_0, rectcell_TMatrices = None, TMatrices = None, lMax = None, verbose=False, J_scat=3):

qpms/tmatrices.py

@@ -367,3 +367,9 @@ class TMatrix(TMatrixSpec):
 
     __getitem__ = atfreq # might be changed later, use atfreq to be sure
 
+def perform_tmspecs(tmspecs):
+    """Takes a sequence of TMatrixSpec or TMatrix instances and returns
+    a list of corresponding TMatrix instances"""
+    return [(tmspec if hasattr(tmspec, "tmdata") else TMatrix(tmspec))
+                for tmspec in tmspecs]
+     

qpms/types.py

@@ -55,18 +55,17 @@ position: tuple of floats (or similar, such as numpy array).
 tmatrix_spec: TMatrixSpec or TMatrix instance.
 """
 
-LatticeSpec = collections.namedtuple('LatticeSpec', ['basis', 'particle_specs', 'subset'])
+LatticeSpec = collections.namedtuple('LatticeSpec', ['basis', 'particle_set_specs'])
 LatticeSpec.__doc__ = """\
 Specification of a lattice, finite or infinite.
 
 basis: tuple of basic vectors (tuples of floats or similar) (or similar, 
 such as 2d numpy array), preferably of reduced basis.
 
-particle_specs: sequence of ParticleSpecs
-
-subset: For infinite lattices, None. For finite lattices, dictionary whose 
-keys are the sublattice labels from particle_specs and values are sequences 
-of (integer) coordinate tuples indicating which scatterers are to be included
-to the finite sublattice.
+particle_set_specs: sequence of tuples (particle_spec, selection) where
+particle_spec is a ParticleSpec and selection is a sequence of 2d integer
+coordinates/indices indicating which particles (TODO describe better)
+of that type shall be included in a finite lattice. Alternatively, 
+selection can be None for an infinite lattice.
 """