The reflections the descriptor is built from. More...

#include <rinse.h>

Public Member Functions
Eigen::Index	size () const

Public Attributes
IMat3N	hkl
	Miller indices, (3, M).
Mat3N	q_vectors
	Cartesian reciprocal-space vectors G = h a* + k b* + l c*, (3, M), in A^-1.
Vec	q_magnitudes
	\|G\|, in A^-1
Vec	intensities
	2 \|F(hkl)\|^2, in electrons^2 – see the note above on the factor of two.

Detailed Description

The reflections the descriptor is built from.

Only one member of each Friedel pair is stored. Without anomalous dispersion F(-h) = conj(F(h)) exactly – the same floating point values, not merely the same to rounding – so intensities already carries the factor of two for the mate, and summing over this list is summing over the whole sphere.

Member Function Documentation

◆ size()

Eigen::Index occ::descriptors::ReflectionList::size ( ) const

inline

Member Data Documentation

◆ hkl

IMat3N occ::descriptors::ReflectionList::hkl

Miller indices, (3, M).

◆ intensities

Vec occ::descriptors::ReflectionList::intensities

2 |F(hkl)|^2, in electrons^2 – see the note above on the factor of two.

◆ q_magnitudes

Vec occ::descriptors::ReflectionList::q_magnitudes

|G|, in A^-1

◆ q_vectors

Mat3N occ::descriptors::ReflectionList::q_vectors

Cartesian reciprocal-space vectors G = h a* + k b* + l c*, (3, M), in A^-1.

No factor of 2*pi, so |G| = 2 sin(theta)/lambda.

The documentation for this struct was generated from the following file:

/home/runner/work/occ/occ/include/occ/descriptors/rinse.h

Public Member Functions

Public Attributes