TwoCellsInteractionHitrateGeneratorTest.cpp File Reference

#include "TwoCellsInteractionHitrateGeneratorTest.h"
#include <array>
#include <cmath>
#include <set>
#include <vector>
#include "autopas/utils/ExceptionHandler.h"
#include "generators/src/PseudoContainer.h"
#include "generators/src/TwoCellsInteractionHitrateGenerator.h"
#include "molecularDynamicsLibrary/MoleculeLJ.h"

Include dependency graph for TwoCellsInteractionHitrateGeneratorTest.cpp:

Typedefs
using	MoleculeType = mdLib::MoleculeLJ
	Particle type used across all tests.
using	CellType = std::vector< MoleculeType >
	Container type for a single cell's particles.

Functions
double	dist3D (const MoleculeType &a, const MoleculeType &b)
	Computes the Euclidean distance between two particles.
void	fill (CellType &v1, CellType &v2, std::size_t n, double hitrate, unsigned int seed=42)
	Fills two cells with n particles at the requested hitrate using the module-level box definitions.
	TEST_F (TwoCellsInteractionHitrateGeneratorTest, testParticleCount)
	Both cells receive exactly n particles for every (n, hitrate) combination.
	TEST_F (TwoCellsInteractionHitrateGeneratorTest, testPositionsInBounds)
	Every particle lies strictly within its own cell's bounding box.
	TEST_F (TwoCellsInteractionHitrateGeneratorTest, testInteractionCountHitrateZero)
	With hitrate=0 every particle is in the far zone: no cross-cell pair is within cutoff.
	TEST_F (TwoCellsInteractionHitrateGeneratorTest, testPairedParticlesInRange)
	At least k cross-cell pairs are within cutoff after filling.
	TEST_F (TwoCellsInteractionHitrateGeneratorTest, testFarParticlesOutOfRange)
	Far particles are out of range of every particle in the other cell.
	TEST_F (TwoCellsInteractionHitrateGeneratorTest, testUniqueIDs)
	No two particles across both cells share an ID.
	TEST_F (TwoCellsInteractionHitrateGeneratorTest, testDeterminism)
	The same seed produces identical particle positions across two independent calls.
	TEST_F (TwoCellsInteractionHitrateGeneratorTest, testPreconditionNonAdjacentCells)
	Non-adjacent cells (gap between boxMax1[0] and boxMin2[0]) must throw.
	TEST_F (TwoCellsInteractionHitrateGeneratorTest, testPreconditionHitrateOutOfRange)
	Hitrate outside [0, 1] must throw.
	TEST_F (TwoCellsInteractionHitrateGeneratorTest, testPreconditionCellTooNarrow)
	A cell whose x-width does not exceed 1.2 * kCutoff violates the factor set in the Generator, so it is too narrow and should throw.

Variables
constexpr double	kCutoff = 3.0
	Cutoff radius used across all tests.
constexpr double	kCellSize = 8.0
	Each cell has dimensions kCellSize x kCellSize x kCellSize.
const std::array< double, 3 >	kBoxMin1 = {0., 0., 0.}
	Lower corner of the Bounding box of cell 1.
const std::array< double, 3 >	kBoxMax1 = {kCellSize, kCellSize, kCellSize}
	Upper corner of cell 1's bounding box.
const std::array< double, 3 >	kBoxMin2 = {kCellSize, 0., 0.}
	Lower corner of the Bounding box of cell 2.
const std::array< double, 3 >	kBoxMax2 = {2. * kCellSize, kCellSize, kCellSize}
	Upper corner of cell 2's bounding box.

Detailed Description

Date

26.06.2026

Author

hmeyran

Function Documentation

dist3D()

double dist3D	(	const MoleculeType &	a,
		const MoleculeType &	b
	)

Computes the Euclidean distance between two particles.

Parameters

a	First particle.
b	Second particle.

Returns

Distance between a and b.

fill()

void fill	(	CellType &	v1,
		CellType &	v2,
		std::size_t	n,
		double	hitrate,
		unsigned int	seed = 42
	)

Fills two cells with n particles at the requested hitrate using the module-level box definitions.

Parameters

v1	Target vector for cell 1 particles.
v2	Target vector for cell 2 particles.
n	Number of particles per cell.
hitrate	Fraction of particle pairs that are within cutoff distance.
seed	RNG seed for deterministic placement.

TEST_F() [1/2]

TEST_F	(	TwoCellsInteractionHitrateGeneratorTest	,
		testFarParticlesOutOfRange
	)

Far particles are out of range of every particle in the other cell.

A cell1 particle is "far" if its x-coordinate is more than kCutoff below kBoxMax1[0] (the shared face). A cell2 particle is "far" if its x-coordinate is more than kCutoff above kBoxMin2[0].

TEST_F() [2/2]

TEST_F	(	TwoCellsInteractionHitrateGeneratorTest	,
		testPairedParticlesInRange
	)

At least k cross-cell pairs are within cutoff after filling.

Particles are shuffled so we count all in-range pairs rather than checking by index.

Variable Documentation

kBoxMin1

const std::array<double, 3> kBoxMin1 = {0., 0., 0.}

Lower corner of the Bounding box of cell 1.

Bounding box occupies [0, kCellSize] in all dimensions.

kBoxMin2

const std::array<double, 3> kBoxMin2 = {kCellSize, 0., 0.}

Lower corner of the Bounding box of cell 2.

The Bounding box is adjacent to cell 1, occupies [kCellSize, 2*kCellSize] in x.