Cython-wrap additional translations.h functions.

Former-commit-id: 4b1ad54f40167f66b6788cb2976ca854b7971a5e

TODO.md

@@ -24,6 +24,8 @@ TODO list before public release
   * As a description of a T-matrix / particle metadata.
 - Nice CLI for all general enough utilities.
 - Remove legacy code.
+- Split qpms_c.pyx.
+- Reduce compiler warnings.
 - Prefix all identifiers. Maybe think about a different prefix than qpms?
 - Consistent indentation and style overall.
 - Rewrite the parallelized translation matrix, mode problem matrix generators

qpms/qpms_c.pyx

@@ -670,6 +670,46 @@ cdef class trans_calculator:
                     r_ge_d_c.data, r_ge_d_c.shape, r_ge_d_c.strides
                     )
         return a, b
+    
+    def get_trans_array_bspec_sph(self, BaseSpec destspec, BaseSpec srcspec,
+            double k, kdlj, qpms_bessel_t J = QPMS_HANKEL_PLUS):
+        if kdlj.shape != (3,):
+            raise ValueError("Array of shape (3,) with spherical coordinates of the translation expected")
+        cdef size_t destn = len(destspec)
+        cdef size_t srcn = len(srcspec)
+        cdef np.ndarray[np.complex_t, ndim=2] target = np.empty(
+                (destn, srcn), dtype=complex, order='C')
+        cdef cdouble[:,::1] target_view = target
+        cdef sph_t kdlj_sph
+        kdlj_sph.r = kdlj[0]
+        kdlj_sph.theta = kdlj[1]
+        kdlj_sph.phi = kdlj[2]
+        qpms_trans_calculator_get_trans_array(self.c, &target_view[0][0], 
+                destspec.rawpointer(), srcn, srcspec.rawpointer(), 1, 
+                kdlj_sph, False, J)
+        return target
+
+    def get_trans_array_bspec_c3pos(self, BaseSpec destspec, BaseSpec srcspec,
+            double k, destpos, srcpos, qpms_bessel_t J = QPMS_HANKEL_PLUS):
+        if destpos.shape != (3,) or srcpos.shape != (3,):
+            raise ValueError("Array of shape (3,) with cartesian coordinates of the particle position expected")
+        cdef size_t destn = len(destspec)
+        cdef size_t srcn = len(srcspec)
+        cdef np.ndarray[np.complex_t, ndim=2] target = np.empty(
+                (destn, srcn), dtype=complex, order='C')
+        cdef cdouble[:,::1] target_view = target
+        cdef cart3_t srcp, destp
+        srcp.x = srcpos[0]
+        srcp.y = srcpos[1]
+        srcp.z = srcpos[2]
+        destp.x = destpos[0]
+        destp.y = destpos[1]
+        destp.z = destpos[2]
+        qpms_trans_calculator_get_trans_array_lc3p(self.c, &target_view[0][0], 
+                destspec.rawpointer(), srcn, srcspec.rawpointer(), 1, k,
+                destp, srcp, J)
+        return target
+
 
     # TODO make possible to access the attributes (to show normalization etc)
 

qpms/qpms_cdefs.pxd

@@ -269,6 +269,21 @@ cdef extern from "translations.h":
             char *phi_data, np.npy_intp *phi_shape, np.npy_intp *phi_strides,
             char *r_ge_d_data, np.npy_intp *phi_shape, np.npy_intp *phi_strides) nogil
 
+    int qpms_trans_calculator_get_trans_array(const qpms_trans_calculator *c,
+                cdouble *target,
+                const qpms_vswf_set_spec_t *destspec, size_t deststride,
+                const qpms_vswf_set_spec_t *srcspec, size_t srcstride,
+                sph_t kdlj, bint r_ge_d, qpms_bessel_t J);
+
+    int qpms_trans_calculator_get_trans_array_lc3p(
+                const qpms_trans_calculator *c,
+                cdouble *target,
+                const qpms_vswf_set_spec_t *destspec, size_t deststride,
+                const qpms_vswf_set_spec_t *srcspec, size_t srcstride,
+                double k, cart3_t destpos, cart3_t srcpos,
+                qpms_bessel_t J
+                );
+
 cdef extern from "gsl/gsl_interp.h":
     struct gsl_interp_type:
         pass