static void to_matrix(void)
{
HklQuaternion q_ref = {{1./sqrt(2), 0, 0, 1./sqrt(2)}};
HklMatrix *m_ref = hkl_matrix_new_full(0,-1, 0,
1, 0, 0,
0, 0, 1);
HklMatrix *m = hkl_matrix_new();
hkl_quaternion_to_matrix(&q_ref, m);
is_matrix(m_ref, m, __func__);
hkl_matrix_free(m_ref);
hkl_matrix_free(m);
}
static int hkl_pseudo_axis_engine_mode_init_psi_real(HklPseudoAxisEngineMode *base,
HklPseudoAxisEngine *engine,
HklGeometry *geometry,
HklDetector *detector,
HklSample *sample,
HklError **error)
{
int status = HKL_SUCCESS;
HklVector ki;
HklMatrix RUB;
HklPseudoAxisEngineModePsi *self = (HklPseudoAxisEngineModePsi *)base;
HklHolder *holder;
status = hkl_pseudo_axis_engine_init_func(base, engine, geometry, detector, sample);
if (status == HKL_FAIL)
return status;
/* update the geometry internals */
hkl_geometry_update(geometry);
/* R * UB */
/* for now the 0 holder is the sample holder. */
holder = &geometry->holders[0];
hkl_quaternion_to_matrix(&holder->q, &RUB);
hkl_matrix_times_matrix(&RUB, &sample->UB);
/* kf - ki = Q0 */
hkl_source_compute_ki(&geometry->source, &ki);
hkl_detector_compute_kf(detector, geometry, &self->Q0);
hkl_vector_minus_vector(&self->Q0, &ki);
if (hkl_vector_is_null(&self->Q0))
status = HKL_FAIL;
else
/* compute hkl0 */
hkl_matrix_solve(&RUB, &self->hkl0, &self->Q0);
return status;
}
static int psi_func(const gsl_vector *x, void *params, gsl_vector *f)
{
HklVector dhkl0, hkl1;
HklVector ki, kf, Q, n;
HklMatrix RUB;
HklPseudoAxisEngine *engine;
HklPseudoAxisEngineModePsi *modepsi;
HklPseudoAxis *psi;
HklHolder *holder;
size_t i;
size_t len;
double const *x_data = gsl_vector_const_ptr(x, 0);
double *f_data = gsl_vector_ptr(f, 0);
engine = params;
modepsi = (HklPseudoAxisEngineModePsi *)engine->mode;
psi = engine->pseudoAxes[0];
/* update the workspace from x; */
len = HKL_LIST_LEN(engine->axes);
for(i=0; i<len; ++i)
hkl_axis_set_value(engine->axes[i], x_data[i]);
hkl_geometry_update(engine->geometry);
/* kf - ki = Q */
hkl_source_compute_ki(&engine->geometry->source, &ki);
hkl_detector_compute_kf(engine->detector, engine->geometry, &kf);
Q = kf;
hkl_vector_minus_vector(&Q, &ki);
if (hkl_vector_is_null(&Q)){
f_data[0] = 1;
f_data[1] = 1;
f_data[2] = 1;
f_data[3] = 1;
}else{
/* R * UB */
/* for now the 0 holder is the sample holder. */
holder = &engine->geometry->holders[0];
hkl_quaternion_to_matrix(&holder->q, &RUB);
hkl_matrix_times_matrix(&RUB, &engine->sample->UB);
/* compute dhkl0 */
hkl_matrix_solve(&RUB, &dhkl0, &Q);
hkl_vector_minus_vector(&dhkl0, &modepsi->hkl0);
/* compute the intersection of the plan P(kf, ki) and PQ (normal Q) */
/*
* now that dhkl0 have been computed we can use a
* normalized Q to compute n and psi
*/
hkl_vector_normalize(&Q);
n = kf;
hkl_vector_vectorial_product(&n, &ki);
hkl_vector_vectorial_product(&n, &Q);
/* compute hkl1 in the laboratory referentiel */
/* for now the 0 holder is the sample holder. */
hkl1.data[0] = engine->mode->parameters[0].value;
hkl1.data[1] = engine->mode->parameters[1].value;
hkl1.data[2] = engine->mode->parameters[2].value;
hkl_vector_times_matrix(&hkl1, &engine->sample->UB);
hkl_vector_rotated_quaternion(&hkl1, &engine->geometry->holders[0].q);
/* project hkl1 on the plan of normal Q */
hkl_vector_project_on_plan(&hkl1, &Q);
if (hkl_vector_is_null(&hkl1)){
/* hkl1 colinear with Q */
f_data[0] = dhkl0.data[0];
f_data[1] = dhkl0.data[1];
f_data[2] = dhkl0.data[2];
f_data[3] = 1;
}else{
f_data[0] = dhkl0.data[0];
f_data[1] = dhkl0.data[1];
f_data[2] = dhkl0.data[2];
f_data[3] = psi->parent.value - hkl_vector_oriented_angle(&n, &hkl1, &Q);
}
}
return GSL_SUCCESS;
}