Split away MaterialInterpolator

Former-commit-id: a882ac5e1a6fa38137fa9059fda53c671534128b

qpms/__init__.py

@@ -6,6 +6,7 @@ from .qpms_p import *
 from .cyquaternions import CQuat, IRot3
 from .cybspec import VSWFNorm, BaseSpec
 from .cytranslations import trans_calculator
+from .cymaterials import MaterialInterpolator
 from .lattices2d import *
 from .hexpoints import *
 from .tmatrices import *

qpms/cycommon.pxd

@@ -0,0 +1 @@
+cdef char *make_c_string(pythonstring)

qpms/cycommon.pyx

@@ -1,5 +1,6 @@
 import numpy as np
 from qpms_cdefs cimport *
+from libc.stdlib cimport malloc
 cimport cython
 import enum
 
@@ -180,3 +181,23 @@ def uvswfi2tlm(u):
             ma.append(m)
         return (ta, la, ma)
 
+cdef char *make_c_string(pythonstring):
+    '''
+    Copies contents of a python string into a char[]
+    (allocating the memory with malloc())
+    '''
+    bytestring = pythonstring.encode('UTF-8')
+    cdef Py_ssize_t n = len(bytestring)
+    cdef Py_ssize_t i
+    cdef char *s
+    s = <char *>malloc(n+1)
+    if not s:
+        raise MemoryError
+    #s[:n] = bytestring # This segfaults; why?
+    for i in range(n): s[i] = bytestring[i]
+    s[n] = <char>0
+    return s
+
+def string_c2py(const char* cstring):
+    return cstring.decode('UTF-8')
+

qpms/cymaterials.pxd

@@ -0,0 +1,8 @@
+from qpms_cdefs cimport qpms_permittivity_interpolator_t
+
+cdef class MaterialInterpolator:
+    cdef qpms_permittivity_interpolator_t *interp
+    cdef readonly double omegamin
+    cdef readonly double omegamax
+
+

qpms/cymaterials.pyx

@@ -0,0 +1,44 @@
+# Cythonized parts of QPMS here
+# -----------------------------
+
+import numpy as np
+import cmath
+from qpms_cdefs cimport *
+from cybspec cimport *
+from cycommon import *
+from cycommon cimport make_c_string
+cimport cython
+import enum
+import warnings
+import os
+from libc.stdlib cimport malloc, free, calloc, abort
+
+
+cdef class MaterialInterpolator:
+    '''
+    Wrapper over the qpms_permittivity_interpolator_t structure.
+    '''
+
+    def __cinit__(self, filename, *args, **kwargs):
+        '''Creates a permittivity interpolator.'''
+        cdef char *cpath = make_c_string(filename)
+        self.interp = qpms_permittivity_interpolator_from_yml(cpath, gsl_interp_cspline)
+        if not self.interp: 
+            raise IOError("Could not load permittivity data from %s" % filename)
+        self.omegamin = qpms_permittivity_interpolator_omega_min(self.interp)
+        self.omegamax = qpms_permittivity_interpolator_omega_max(self.interp)
+
+    def __dealloc__(self):
+        qpms_permittivity_interpolator_free(self.interp)
+
+    def __call__(self, double freq):
+        '''Returns interpolated permittivity, corresponding to a given angular frequency.'''
+        if freq < self.omegamin or freq > self.omegamax:
+            raise ValueError("Input frequency %g is outside the interpolator domain (%g, %g)."
+                    % (freq, self.minomega, self.freqs[self.maxomega]))
+        return qpms_permittivity_interpolator_eps_at_omega(self.interp, freq)
+
+    property freq_interval:
+        def __get__(self):
+            return [self.omegamin, self.omegamax]
+

qpms/qpms_c.pyx

@@ -15,44 +15,13 @@ from cyquaternions cimport *
 from cybspec cimport *
 #from cybspec import *
 from cycommon import *
+from cycommon cimport make_c_string
 cimport cython
 import enum
 import warnings
 import os
 from libc.stdlib cimport malloc, free, calloc, abort
 
-
-cdef class MaterialInterpolator:
-    '''
-    Wrapper over the qpms_permittivity_interpolator_t structure.
-    '''
-    cdef qpms_permittivity_interpolator_t *interp
-    cdef readonly double omegamin
-    cdef readonly double omegamax
-
-    def __cinit__(self, filename, *args, **kwargs):
-        '''Creates a permittivity interpolator.'''
-        cdef char *cpath = make_c_string(filename)
-        self.interp = qpms_permittivity_interpolator_from_yml(cpath, gsl_interp_cspline)
-        if not self.interp: 
-            raise IOError("Could not load permittivity data from %s" % filename)
-        self.omegamin = qpms_permittivity_interpolator_omega_min(self.interp)
-        self.omegamax = qpms_permittivity_interpolator_omega_max(self.interp)
-
-    def __dealloc__(self):
-        qpms_permittivity_interpolator_free(self.interp)
-
-    def __call__(self, double freq):
-        '''Returns interpolated permittivity, corresponding to a given angular frequency.'''
-        if freq < self.omegamin or freq > self.omegamax:
-            raise ValueError("Input frequency %g is outside the interpolator domain (%g, %g)."
-                    % (freq, self.minomega, self.freqs[self.maxomega]))
-        return qpms_permittivity_interpolator_eps_at_omega(self.interp, freq)
-
-    property freq_interval:
-        def __get__(self):
-            return [self.omegamin, self.omegamax]
-
 cdef class TMatrixInterpolator:
     '''
     Wrapper over the qpms_tmatrix_interpolator_t structure.
@@ -177,26 +146,6 @@ cdef class CTMatrix: # N.B. there is another type called TMatrix in tmatrices.py
         tm.spherical_perm_fill(radius, freq, epsilon_int, epsilon_ext)
         return tm
 
-cdef char *make_c_string(pythonstring):
-    '''
-    Copies contents of a python string into a char[]
-    (allocating the memory with malloc())
-    '''
-    bytestring = pythonstring.encode('UTF-8')
-    cdef Py_ssize_t n = len(bytestring)
-    cdef Py_ssize_t i
-    cdef char *s 
-    s = <char *>malloc(n+1)
-    if not s:
-        raise MemoryError
-    #s[:n] = bytestring # This segfaults; why?
-    for i in range(n): s[i] = bytestring[i]
-    s[n] = <char>0
-    return s
-
-def string_c2py(const char* cstring):
-    return cstring.decode('UTF-8')
-
 cdef class PointGroup:
     cdef readonly qpms_pointgroup_t G
 

setup.py

@@ -102,6 +102,11 @@ cybspec = Extension('qpms.cybspec',
         extra_link_args=['qpms/libqpms.a'],
         libraries=['gsl', 'lapacke', 'blas', 'gslcblas', 'pthread',]
         )
+cymaterials = Extension('qpms.cymaterials',
+        sources = ['qpms/cymaterials.pyx'],
+        extra_link_args=['qpms/libqpms.a'],
+        libraries=['gsl', 'lapacke', 'blas', 'gslcblas', 'pthread',]
+        )
 cyquaternions = Extension('qpms.cyquaternions',
         sources = ['qpms/cyquaternions.pyx'],
         extra_link_args=['amos/libamos.a', 'qpms/libqpms.a'],
@@ -130,7 +135,7 @@ setup(name='qpms',
             #'quaternion','spherical_functions',
             'scipy>=0.18.0', 'sympy>=1.2'],
         #dependency_links=['https://github.com/moble/quaternion/archive/v2.0.tar.gz','https://github.com/moble/spherical_functions/archive/master.zip'],
-        ext_modules=cythonize([qpms_c, cytranslations, cycommon, cyquaternions, cybspec], include_path=['qpms', 'amos'], gdb_debug=True),
+        ext_modules=cythonize([qpms_c, cytranslations, cycommon, cyquaternions, cybspec, cymaterials], include_path=['qpms', 'amos'], gdb_debug=True),
         cmdclass = {'build_ext': build_ext},
         zip_safe=False
         )