occ::qm::SpatialGridHierarchy Class Reference

Spatial hierarchy for molecular grid points using Morton ordering. More...

#include <spatial_grid_hierarchy.h>

Public Member Functions
	SpatialGridHierarchy (const Mat3N &points, const Vec &weights, const SpatialHierarchySettings &settings={})
	Construct hierarchy from points and weights.
const Mat3N &	sorted_points () const
	Get sorted points (Morton-ordered)
const Vec &	sorted_weights () const
const std::vector< GridBatchLeaf > &	leaves () const
	Access leaves.
size_t	num_leaves () const
auto	leaf_points (size_t leaf_idx) const
	Get points for a specific leaf (returns a block reference)
auto	leaf_weights (size_t leaf_idx) const
	Get weights for a specific leaf.
const GridBoundingSphere &	leaf_bounds (size_t leaf_idx) const
	Get bounding sphere for a leaf.
const std::vector< size_t > &	permutation () const
	Get original index mapping (sorted_idx -> original_idx)

Detailed Description

Spatial hierarchy for molecular grid points using Morton ordering.

Constructor & Destructor Documentation

SpatialGridHierarchy()

occ::qm::SpatialGridHierarchy::SpatialGridHierarchy	(	const Mat3N &	points,
		const Vec &	weights,
		const SpatialHierarchySettings &	settings = {}
	)

Construct hierarchy from points and weights.

Member Function Documentation

leaf_bounds()

const GridBoundingSphere & occ::qm::SpatialGridHierarchy::leaf_bounds ( size_t  leaf_idx ) const

inline

Get bounding sphere for a leaf.

leaf_points()

auto occ::qm::SpatialGridHierarchy::leaf_points ( size_t  leaf_idx ) const

inline

Get points for a specific leaf (returns a block reference)

leaf_weights()

auto occ::qm::SpatialGridHierarchy::leaf_weights ( size_t  leaf_idx ) const

inline

Get weights for a specific leaf.

leaves()

const std::vector< GridBatchLeaf > & occ::qm::SpatialGridHierarchy::leaves ( ) const

inline

Access leaves.

num_leaves()

size_t occ::qm::SpatialGridHierarchy::num_leaves ( ) const

inline

permutation()

const std::vector< size_t > & occ::qm::SpatialGridHierarchy::permutation ( ) const

inline

Get original index mapping (sorted_idx -> original_idx)

sorted_points()

const Mat3N & occ::qm::SpatialGridHierarchy::sorted_points ( ) const

inline

Get sorted points (Morton-ordered)

sorted_weights()

const Vec & occ::qm::SpatialGridHierarchy::sorted_weights ( ) const

inline

---

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

• /home/runner/work/occ/occ/include/occ/qm/spatial_grid_hierarchy.h