translations.h

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#ifndef QPMS_TRANSLATIONS_H
#define QPMS_TRANSLATIONS_H
#include "vectors.h"
#include "qpms_types.h"
#include <complex.h>
#include <stdbool.h>
#include <stddef.h>
 
#if defined LATTICESUMS32 || defined LATTICESUMS31
#include "ewald.h"
#endif
 
 
complex double qpms_trans_single_A(qpms_normalisation_t norm, qpms_m_t m, qpms_l_t n, qpms_m_t mu, qpms_l_t nu, csph_t kdlj,
        bool r_ge_d, qpms_bessel_t J);
 
complex double qpms_trans_single_B(qpms_normalisation_t norm, qpms_m_t m, qpms_l_t n, qpms_m_t mu, qpms_l_t nu, csph_t kdlj,
        bool r_ge_d, qpms_bessel_t J);
 
 
typedef struct qpms_trans_calculator {
    qpms_normalisation_t normalisation;
    qpms_l_t lMax;
    qpms_y_t nelem;
    complex double **A_multipliers;
    complex double **B_multipliers;
#if 0
    // Normalised values of the Legendre functions and derivatives
    // for θ == π/2, i.e. for the 2D case.
    double *leg0; 
    double *pi0;
    double *tau0;
    // Spherical Bessel function coefficients:
    // TODO
#endif
 
#if defined LATTICESUMS32 || defined LATTICESUMS31
    qpms_ewald3_constants_t *e3c;
#endif
    double *legendre0; // Zero-argument Legendre functions – this might go outside #ifdef in the end...
} qpms_trans_calculator;
 
qpms_trans_calculator *qpms_trans_calculator_init(qpms_l_t lMax, 
            qpms_normalisation_t nt
        );
void qpms_trans_calculator_free(qpms_trans_calculator *);
 
complex double qpms_trans_calculator_get_A(const qpms_trans_calculator *c,
        qpms_m_t m, qpms_l_t n, qpms_m_t mu, qpms_l_t nu, csph_t kdlj,
        bool r_ge_d, qpms_bessel_t J);
complex double qpms_trans_calculator_get_B(const qpms_trans_calculator *c,
        qpms_m_t m, qpms_l_t n, qpms_m_t mu, qpms_l_t nu, csph_t kdlj,
        bool r_ge_d, qpms_bessel_t J);
int qpms_trans_calculator_get_AB_p(const qpms_trans_calculator *c,
        complex double *Adest, complex double *Bdest,
        qpms_m_t m, qpms_l_t n, qpms_m_t mu, qpms_l_t nu, csph_t kdlj,
        bool r_ge_d, qpms_bessel_t J);
int qpms_trans_calculator_get_AB_arrays(const qpms_trans_calculator *c,
        complex double *Adest, complex double *Bdest,
        size_t deststride, size_t srcstride,
        csph_t kdlj, bool r_ge_d, qpms_bessel_t J); 
 
// TODO update the types later
complex double qpms_trans_calculator_get_A_ext(const qpms_trans_calculator *c,
        int m, int n, int mu, int nu, complex double kdlj_r,
        double kdlj_th, double kdlj_phi, int r_ge_d, int J);
 
complex double qpms_trans_calculator_get_B_ext(const qpms_trans_calculator *c,
        int m, int n, int mu, int nu, complex double kdlj_r,
        double kdlj_th, double kdlj_phi, int r_ge_d, int J);
 
int qpms_trans_calculator_get_AB_p_ext(const qpms_trans_calculator *c,
        complex double *Adest, complex double *Bdest,
        int m, int n, int mu, int nu, complex double kdlj_r,
        double kdlj_th, double kdlj_phi, int r_ge_d, int J);
 
int qpms_trans_calculator_get_AB_arrays_ext(const qpms_trans_calculator *c,
        complex double *Adest, complex double *Bdest,
        size_t deststride, size_t srcstride,
        complex double kdlj_r, double kdlj_theta, double kdlj_phi,
        int r_ge_d, int J);
 
// Convenience functions using VSWF base specs
qpms_errno_t qpms_trans_calculator_get_trans_array(const qpms_trans_calculator *c,
        complex double *target, 
        const qpms_vswf_set_spec_t *destspec, size_t deststride,
        const qpms_vswf_set_spec_t *srcspec, size_t srcstride,
        csph_t kdlj, bool r_ge_d, qpms_bessel_t J);
 
qpms_errno_t qpms_trans_calculator_get_trans_array_lc3p(
        const qpms_trans_calculator *c,
        complex double *target, 
        const qpms_vswf_set_spec_t *destspec, size_t deststride,
        const qpms_vswf_set_spec_t *srcspec, size_t srcstride,
        complex double k, cart3_t destpos, cart3_t srcpos,
        qpms_bessel_t J
        );
 
#ifdef LATTICESUMS32
// for the time being there are only those relatively low-level quick&dirty functions
// according to what has been implemented from ewald.h; 
// TODO more high-level functions with more advanced lattice generators etc. (after
// the prerequisities from lattices2d.h are implememted)
 
 
int qpms_trans_calculator_get_AB_arrays_e32(const qpms_trans_calculator *c,
        complex double *Adest, double *Aerr,
        complex double *Bdest, double *Berr,
        const ptrdiff_t deststride, const ptrdiff_t srcstride,
        const double eta, const complex double wavenumber,
        cart2_t b1, cart2_t b2,
        const cart2_t beta,
        const cart3_t particle_shift,
        double maxR, double maxK
        );
 
int qpms_trans_calculator_get_AB_arrays_e32_e(const qpms_trans_calculator *c,
        complex double *Adest, double *Aerr,
        complex double *Bdest, double *Berr,
        const ptrdiff_t deststride, const ptrdiff_t srcstride,
        const double eta, const complex double wavenumber,
        cart2_t b1, cart2_t b2,
        const cart2_t beta,
        const cart3_t particle_shift,
        double maxR, double maxK,
        qpms_ewald_part parts
        );
 
// Convenience functions using VSWF base specs
qpms_errno_t qpms_trans_calculator_get_trans_array_e32(const qpms_trans_calculator *c,
        complex double *target, double *err,
        const qpms_vswf_set_spec_t *destspec, size_t deststride,
        const qpms_vswf_set_spec_t *srcspec, size_t srcstride,
        const double eta, const complex double wavenumber,
        cart2_t b1, cart2_t b2,
        const cart2_t beta,
        const cart3_t particle_shift,
        double maxR, double maxK
        );
 
qpms_errno_t qpms_trans_calculator_get_trans_array_e32_e(const qpms_trans_calculator *c,
        complex double *target, double *err,
        const qpms_vswf_set_spec_t *destspec, size_t deststride,
        const qpms_vswf_set_spec_t *srcspec, size_t srcstride,
        const double eta, const complex double wavenumber,
        cart2_t b1, cart2_t b2,
        const cart2_t beta,
        const cart3_t particle_shift,
        double maxR, double maxK,
        qpms_ewald_part parts
        );
 
#endif //LATTICESUMS32
 
#ifdef LATTICESUMS31
// e31z means that the particles are positioned along the z-axis;
// their positions and K-values are then denoted by a single z-coordinate
int qpms_trans_calculator_get_AB_arrays_e31z_both_points_and_shift(const qpms_trans_calculator *c,
        complex double *Adest, double *Aerr,
        complex double *Bdest, double *Berr,
        const ptrdiff_t deststride, const ptrdiff_t srcstride,
        const double eta, const double k,
        const double unitcell_area, // just lattice period
        const size_t nRpoints, const cart2_t *Rpoints,
        const size_t nKpoints, const cart2_t *Kpoints,
        const double beta,
        const double particle_shift
        );
#endif
 
 
 
 
#ifdef QPMS_COMPILE_PYTHON_EXTENSIONS
#include <Python.h>
#include <numpy/npy_common.h>
int qpms_cython_trans_calculator_get_AB_arrays_loop(
        const qpms_trans_calculator *c, qpms_bessel_t J, const int resnd,
        int daxis, int saxis,
        char *A_data, const npy_intp *A_shape, const npy_intp *A_strides,
        char *B_data, const npy_intp *B_shape, const npy_intp *B_strides,
        const char *r_data, const npy_intp *r_shape, const npy_intp *r_strides,
        const char *theta_data, const npy_intp *theta_shape, const npy_intp *theta_strides,
        const char *phi_data, const npy_intp *phi_shape, const npy_intp *phi_strides,
        const char *r_ge_d_data, const npy_intp *r_ge_d_shape, const npy_intp *r_ge_d_strides);
 
 
#endif //QPMS_COMPILE_PYTHON_EXTENSIONS
 
 
#endif // QPMS_TRANSLATIONS_H