occ::descriptors Namespace Reference

Classes
class	FastNeighborFinder
	Faster neighbor finding using incremental shell approach. More...
class	PointwiseDistanceDistribution
	Pointwise Distance Distribution for crystals. More...
struct	PointwiseDistanceDistributionConfig
	Configuration for Pointwise Distance Distribution calculations. More...
struct	PromoleculeDensityShape
class	SortedKDistances
class	Steinhardt

Typedefs
using	PDDConfig = PointwiseDistanceDistributionConfig
using	PDD = PointwiseDistanceDistribution
using	SortedK1Distance = SortedKDistances< 1 >
using	SortedK5Distances = SortedKDistances< 5 >
using	SortedK10Distances = SortedKDistances< 10 >
using	SortedK20Distances = SortedKDistances< 20 >
using	SortedK50Distances = SortedKDistances< 50 >
using	SortedK100Distances = SortedKDistances< 100 >

Functions
template<int MaxK = 256>
void	find_multiple_k_nearest (const crystal::Crystal &crystal, const Mat3N &query_points, int k, Mat &out_distances)
	Convenient wrapper for multiple query points.

Typedef Documentation

PDD

using occ::descriptors::PDD = typedef PointwiseDistanceDistribution

PDDConfig

using occ::descriptors::PDDConfig = typedef PointwiseDistanceDistributionConfig

SortedK100Distances

using occ::descriptors::SortedK100Distances = typedef SortedKDistances<100>

SortedK10Distances

using occ::descriptors::SortedK10Distances = typedef SortedKDistances<10>

SortedK1Distance

using occ::descriptors::SortedK1Distance = typedef SortedKDistances<1>

SortedK20Distances

using occ::descriptors::SortedK20Distances = typedef SortedKDistances<20>

SortedK50Distances

using occ::descriptors::SortedK50Distances = typedef SortedKDistances<50>

SortedK5Distances

using occ::descriptors::SortedK5Distances = typedef SortedKDistances<5>

Function Documentation

find_multiple_k_nearest()

template<int MaxK = 256>

void occ::descriptors::find_multiple_k_nearest	(	const crystal::Crystal &	crystal,
		const Mat3N &	query_points,
		int	k,
		Mat &	out_distances
	)

Convenient wrapper for multiple query points.