qpms/qpms/cytmatrices.pyx

385 lines
15 KiB
Cython

import numpy as np
from .qpms_cdefs cimport *
from .cybspec cimport BaseSpec
from .cycommon import *
from .cycommon cimport make_c_string
from .cymaterials cimport EpsMuGenerator
from .qpms_c cimport FinitePointGroup
import warnings
import os
from libc.stdlib cimport free
cdef class TMatrixInterpolator:
'''
Wrapper over the qpms_tmatrix_interpolator_t structure.
'''
def __cinit__(self, filename, BaseSpec bspec, *args, **kwargs):
'''Creates a T-matrix interpolator object from a scuff-tmatrix output'''
global qpms_load_scuff_tmatrix_crash_on_failure
qpms_load_scuff_tmatrix_crash_on_failure = False
self.spec = bspec
cdef char * cpath = make_c_string(filename)
retval = qpms_load_scuff_tmatrix(cpath, self.spec.rawpointer(),
&(self.nfreqs), &(self.freqs), &(self.freqs_su),
&(self.tmatrices_array), &(self.tmdata))
if (retval != QPMS_SUCCESS):
raise IOError("Could not read T-matrix from %s: %s" % (filename, os.strerror(retval)))
if 'symmetrise' in kwargs:
sym = kwargs['symmetrise']
if isinstance(sym, FinitePointGroup):
if QPMS_SUCCESS != qpms_symmetrise_tmdata_finite_group(
self.tmdata, self.nfreqs, self.spec.rawpointer(),
(<FinitePointGroup?>sym).rawpointer()):
raise Exception("This should not happen.")
atol = kwargs['atol'] if 'atol' in kwargs else 1e-16
qpms_czero_roundoff_clean(self.tmdata, self.nfreqs * len(bspec)**2, atol)
else:
warnings.warn('symmetrise argument type not supported; ignoring.')
self.interp = qpms_tmatrix_interpolator_create(self.nfreqs,
self.freqs, self.tmatrices_array, gsl_interp_cspline)
if not self.interp: raise Exception("Unexpected NULL at interpolator creation.")
def __call__(self, double freq):
'''Returns a TMatrix instance, corresponding to a given frequency.'''
if freq < self.freqs[0] or freq > self.freqs[self.nfreqs-1]:# FIXME here I assume that the input is already sorted
raise ValueError("input frequency %g is outside the interpolator domain (%g, %g)"
% (freq, self.freqs[0], self.freqs[self.nfreqs-1]))
# This is a bit stupid, I should rethink the CTMatrix constuctors
cdef qpms_tmatrix_t *t = qpms_tmatrix_interpolator_eval(self.interp, freq)
cdef CTMatrix res = CTMatrix(self.spec, <cdouble[:len(self.spec),:len(self.spec)]>(t[0].m))
qpms_tmatrix_free(t)
return res
def __dealloc__(self):
qpms_tmatrix_interpolator_free(self.interp)
free(self.tmatrices_array)
free(self.tmdata)
free(self.freqs_su)
free(self.freqs)
property freq_interval:
def __get__(self):
return [self.freqs[0], self.freqs[self.nfreqs-1]]
property omega_table:
def __get__(self):
cdef size_t i
omegas = np.empty((self.nfreqs,), dtype=float)
cdef double[:] omegas_view = omegas
for i in range(self.nfreqs):
omegas_view[i] = self.freqs[i]
return omegas
cdef class CTMatrix: # N.B. there is another type called TMatrix in tmatrices.py!
'''
Wrapper over the C qpms_tmatrix_t stucture.
'''
def __cinit__(CTMatrix self, BaseSpec spec, matrix):
self.spec = spec
self.t.spec = self.spec.rawpointer();
if (matrix is None) or not np.any(matrix):
self.m = np.zeros((len(spec),len(spec)), dtype=complex, order='C')
else:
# The following will raise an exception if shape is wrong
self.m = np.array(matrix, dtype=complex, copy=True, order='C').reshape((len(spec), len(spec)))
#self.m.setflags(write=False) # checkme
cdef cdouble[:,:] m_memview = self.m
self.t.m = &(m_memview[0,0])
self.t.owns_m = False # Memory in self.t.m is "owned" by self.m, not by self.t...
property rawpointer:
def __get__(self):
return <uintptr_t> &(self.t)
# Transparent access to the T-matrix elements.
def __getitem__(self, key):
return self.m[key]
def __setitem__(self, key, value):
self.m[key] = value
def as_ndarray(CTMatrix self):
''' Returns a copy of the T-matrix as a numpy array.'''
# Maybe not totally needed after all, as np.array(T[...]) should be equivalent and not longer
return np.array(self.m, copy=True)
def spherical_fill(CTMatrix self, double radius, cdouble k_int,
cdouble k_ext, cdouble mu_int = 1, cdouble mu_ext = 1):
''' Replaces the contents of the T-matrix with those of a spherical particle.'''
qpms_tmatrix_spherical_fill(&self.t, radius, k_int, k_ext, mu_int, mu_ext)
def spherical_perm_fill(CTMatrix self, double radius, double freq, cdouble epsilon_int,
cdouble epsilon_ext):
'''Replaces the contenst of the T-matrix with those of a spherical particle.'''
qpms_tmatrix_spherical_mu0_fill(&self.t, radius, freq, epsilon_int, epsilon_ext)
@staticmethod
def spherical(BaseSpec spec, double radius, cdouble k_int, cdouble k_ext,
cdouble mu_int = 1, cdouble mu_ext = 1):
''' Creates a T-matrix of a spherical nanoparticle. '''
tm = CTMatrix(spec, 0)
tm.spherical_fill(radius, k_int, k_ext, mu_int, mu_ext)
return tm
@staticmethod
def spherical_perm(BaseSpec spec, double radius, double freq, cdouble epsilon_int, cdouble epsilon_ext):
'''Creates a T-matrix of a spherical nanoparticle.'''
tm = CTMatrix(spec, 0)
tm.spherical_perm_fill(radius, freq, epsilon_int, epsilon_ext)
return tm
cdef class __MieParams:
# Not directly callable right now, serves just to be used by TMatrixGenerator.
cdef qpms_tmatrix_generator_sphere_param_t cparam
cdef EpsMuGenerator outside
cdef EpsMuGenerator inside
cdef inline void *rawpointer(self):
return <void *>&(self.cparam)
def __init__(self, outside, inside, r):
self.inside = inside
self.outside = outside
self.cparam.inside = self.inside.raw();
self.cparam.outside = self.outside.raw();
self.cparam.radius = r
property r:
def __get__(self):
return self.cparam.radius
def __set__(self, val):
self.cparam.radius = val
cdef class __ArcCylinder:
cdef qpms_arc_cylinder_params_t p
cdef inline void *rawpointer(self):
return <void *> &(self.p)
def __init__(self, R, h):
self.p.R = R
self.p.h = h
cdef class __ArcSphere:
cdef double r
cdef inline void *rawpointer(self):
return <void *> &(self.r)
def __init__(self, r):
self.r = r
cdef qpms_arc_function_retval_t userarc(double theta, const void *params):
cdef object fun = <object> params
cdef qpms_arc_function_retval_t retval
retval.r, retval.beta = fun(theta)
return retval
cdef class ArcFunction:
cdef qpms_arc_function_t g
cdef object holder
def __init__(self, what):
if isinstance(what, __ArcCylinder):
self.holder = what
self.g.function = qpms_arc_cylinder
self.g.params = (<__ArcCylinder?>self.holder).rawpointer()
elif isinstance(what, __ArcSphere):
self.holder = what
self.g.function = qpms_arc_sphere
self.g.params = (<__ArcSphere?>self.holder).rawpointer()
elif callable(what):
warnings.warn("Custom python (r, beta) arc functions are an experimental feature. Also expect it to be slow.")
self.holder = what
self.g.function = userarc
self.g.params = <const void *> self.holder
elif isinstance(what, ArcFunction): #Copy constructor
self.holder = what.holder
self.g = (<ArcFunction?>what).g
self.holder.rawpointer()
cdef class __AxialSymParams:
cdef qpms_tmatrix_generator_axialsym_param_t p
cdef EpsMuGenerator outside
cdef EpsMuGenerator inside
cdef ArcFunction shape
cdef void * rawpointer(self):
return <void *> &(self.p)
property lMax_extend:
def __get__(self):
return self.p.lMax_extend
def __set__(self, val):
self.p.lMax_extend = val
def __init__(self, outside, inside, shape, *args, **kwargs):
self.outside = outside
self.p.outside = self.outside.g
self.inside = inside
self.p.inside = self.inside.g
self.shape = shape
self.p.shape = self.shape.g
if len(args)>0:
self.lMax_extend = args[0]
if 'lMax_extend' in kwargs.keys():
self.lMax_extend = kwargs['lMax_extend']
if self.lMax_extend == 0:
self.lMax_extend = 1
def Q_transposed(self, cdouble omega, norm):
cdef size_t n = 2*(self.p.lMax_extend*(self.p.lMax_extend +2))
cdef np.ndarray[np.complex_t, ndim=2] arr = np.empty((n,n), dtype=complex, order='C')
cdef cdouble[:,::1] arrview = arr
qpms_tmatrix_generator_axialsym_RQ_transposed_fill(&arrview[0][0], omega, &self.p, norm, QPMS_HANKEL_PLUS)
return arr
def R_transposed(self, cdouble omega, norm):
cdef size_t n = 2*(self.p.lMax_extend*(self.p.lMax_extend +2))
cdef np.ndarray[np.complex_t, ndim=2] arr = np.empty((n,n), dtype=complex, order='C')
cdef cdouble[:,::1] arrview = arr
qpms_tmatrix_generator_axialsym_RQ_transposed_fill(&arrview[0][0], omega, &self.p, norm, QPMS_BESSEL_REGULAR)
return arr
cdef class TMatrixFunction:
'''
Wrapper over qpms_tmatrix_function_t. The main functional difference between this
and TMatrixGenerator is that this remembers a specific BaseSpec
and its __call__ method takes only one mandatory argument (in addition to self).
'''
def __init__(self, TMatrixGenerator tmg, BaseSpec spec):
self.generator = tmg
self.spec = spec
self.f.gen = self.generator.rawpointer()
self.f.spec = self.spec.rawpointer()
def __call__(self, cdouble omega, fill = None):
cdef CTMatrix tm
if fill is None: # make a new CTMatrix
tm = CTMatrix(self.spec, None)
else: # TODO check whether fill has the same bspec as self?
tm = fill
if self.f.gen.function(tm.rawpointer(), omega, self.f.gen.params) != 0:
raise ValueError("Something went wrong")
else:
return tm
cdef class TMatrixGenerator:
def __init__(self, what):
if isinstance(what, __MieParams):
self.holder = what
self.g.function = qpms_tmatrix_generator_sphere
self.g.params = (<__MieParams?>self.holder).rawpointer()
elif isinstance(what,__AxialSymParams):
self.holder = what
self.g.function = qpms_tmatrix_generator_axialsym
self.g.params = (<__AxialSymParams?>self.holder).rawpointer()
elif isinstance(what, CTMatrix):
self.holder = what
self.g.function = qpms_tmatrix_generator_constant
self.g.params = <void*>(<CTMatrix?>self.holder).rawpointer()
elif isinstance(what, TMatrixInterpolator):
self.holder = what
self.g.function = qpms_tmatrix_generator_interpolator
self.g.params = <void*>(<TMatrixInterpolator?>self.holder).rawpointer()
else:
raise TypeError("Can't construct TMatrixGenerator from that")
def __call__(self, arg, cdouble omega):
"""Produces a T-matrix at a given frequency.
Parameters
----------
arg : CTMatrix or BaseSpec
If arg is a CTMatrix, its contents will be replaced.
If arg is a BaseSpec, a new CTMatrix instance will be created.
omega : complex
Angular frequency at which the T-matrix shall be evaluated.
Returns
-------
t : CTMatrix
"""
cdef CTMatrix tm
if isinstance(arg, CTMatrix): # fill the matrix
tm = arg
if self.g.function(tm.rawpointer(), omega, self.g.params) != 0:
raise ValueError("Something went wrong")
return
elif isinstance(arg, BaseSpec): # Make a new CTMatrix
tm = CTMatrix(arg, None)
if self.g.function(tm.rawpointer(), omega, self.g.params) != 0:
raise ValueError("Something went wrong")
return tm
else:
raise ValueError("Must specify CTMatrix or BaseSpec")
def Q_transposed(self, cdouble omega, norm):
if self.g.function != qpms_tmatrix_generator_axialsym:
raise TypeError("Applicable only for axialsym generators")
return self.holder.Q_transposed(omega, norm)
def R_transposed(self, cdouble omega, norm):
if self.g.function != qpms_tmatrix_generator_axialsym:
raise TypeError("Applicable only for axialsym generators")
return self.holder.R_transposed(omega, norm)
# Better "constructors":
@staticmethod
def sphere(outside, inside, r):
"""Creates a T-matrix generator for a spherical scatterer.
This method uses analytical Mie-Lorentz formulae.
Parameters:
-----------
outside : EpsMuGenerator or EpsMu
Optical properties of the surrounding medium.
inside : EpsMuGenerator or EpsMu
Optical properties of the material inside the sphere.
r : double
Sphere radius
"""
return TMatrixGenerator(__MieParams(EpsMuGenerator(outside),
EpsMuGenerator(inside), r))
@staticmethod
def sphere_asarc(outside, inside, r, *args, **kwargs):
"""Creates a T-matrix generator for a spherical scatterer.
This method uses numerical evaluation for generic axially-symmetric
scatterer, and is intended for testing and benchmarking only.
For regular use, see TMatrigGenerator.sphere() instead.
Parameters
----------
outside : EpsMuGenerator or EpsMu
Optical properties of the surrounding medium.
inside : EpsMuGenerator or EpsMu
Optical properties of the material inside the sphere.
r : double
Sphere radius
Returns
-------
tmgen : TMatrixGenerator
See Also
--------
TMatrigGenerator.sphere : Faster and more precise method.
"""
return TMatrixGenerator(__AxialSymParams(
EpsMuGenerator(outside), EpsMuGenerator(inside),
ArcFunction(__ArcSphere(r)), *args, **kwargs))
@staticmethod
def cylinder(outside, inside, r, h, *args, **kwargs):
"""Creates a T-matrix generator for a right circular cylinder.
Parameters:
-----------
outside : EpsMuGenerator or EpsMu
Optical properties of the surrounding medium.
inside : EpsMuGenerator or EpsMu
Optical properties of the material inside the cylinder.
r : double
Cylinder base radius.
h : double
Cylinder height.
Returns
-------
tmgen : TMatrixGenerator
"""
return TMatrixGenerator(__AxialSymParams(
EpsMuGenerator(outside), EpsMuGenerator(inside),
ArcFunction(__ArcCylinder(r, h)), *args, **kwargs))