NeighborSearchLib.cpp File Reference

#include <vector>
#include <iostream>
#include <map>
#include <ctime>
#include <algorithm>
#include <climits>
#include "cpdb/cpdb.h"
#include "NeighborSearch.hpp"

Macros
#define	EMPTYCELL   INT_MAX-1
#define	EPSILON   (0.001f)

Functions
API void	initGridNeighbor (float3 *atomPos, float *radii, int N)
API int	findClosestAtom (float3 p)
API int *	findAtomsInRadius (float3 p, float rad, int *resSize)
API void	freeMem ()

Variables
float	gridResolutionNeighbor
float3	originGridNeighbor
int3	gridNeighborDim
float3 *	SortedAtomPos
int2 *	cellStartEnd
unsigned int	Natoms

Macro Definition Documentation

EMPTYCELL

#define EMPTYCELL   INT_MAX-1

EPSILON

#define EPSILON   (0.001f)

Function Documentation

findAtomsInRadius()

API int* findAtomsInRadius	(	float3	p,
		float	rad,
		int *	resSize
	)

findClosestAtom()

API int findClosestAtom

(

float3

p

)

freeMem()

API void freeMem

(

)

initGridNeighbor()

API void initGridNeighbor	(	float3 *	atomPos,
		float *	radii,
		int	N
	)

Variable Documentation

cellStartEnd

int2* cellStartEnd

gridNeighborDim

int3 gridNeighborDim

gridResolutionNeighbor

float gridResolutionNeighbor

Natoms

unsigned int Natoms

originGridNeighbor

float3 originGridNeighbor

SortedAtomPos

float3* SortedAtomPos