public void GetSector(DPVector position)
{
int xpos = (int)position.X;
int ypos = (int)position.Y;
X = xpos >> 6; // divide by 64
Y = ypos >> 6; // divide by 64
}
public void ResizeForceArrays(ParticleEnsemble ensemble)
{
DPVector zero = new DPVector(0, 0);
for (int i = 0; i < ensemble.NumberOfParticles; i++)
{
forces[i] = zero;
}
}
public Particle()
{
// cout << "Particle allocated" << endl;
TypeID = 0;
m_Mass = 0.0;
m_ParticleCollided = false;
m_Radius = 0.0;
m_InitialRadius = 0.0;
m_KineticEnergy = 0.0;
m_VInCollisionFrame = 0.0;
m_Position = new DPVector(0, 0);
m_PositionLast = new DPVector(0, 0);
m_Velocity = new DPVector(0, 0);
m_VelocityLast = new DPVector(0, 0);
m_Force = new DPVector(0, 0);
m_ForceLast = new DPVector(0, 0);
VelocityAutoCorrelationFunction = new List<double>(new double[1024]); // this is the vector that will hold the particle's velocity autocorrelation function
}
public override void CalculateForceField(ParticleEnsemble ensemble)
{
//variable declarations
double posXi, posYi;
double posXj, posYj;
double LJxf, LJyf;
double ijSeparation = 0.0, LJforce = 0.0, PotentialEnergy = 0.0;
int j, kk, ctr, dimensions = 2;
//variable initializations
int BoxHeight = ensemble.GetBoxHeight();
int BoxWidth = ensemble.GetBoxWidth();
double MaxForce = ensemble.GetMaxForceThreshold();
double MinForce = -1.0 * (ensemble.GetMaxForceThreshold());
// initialize vectors holding forces
for (int i = 0; i < ensemble.GetNumberOfParticles(); ++i)
{
LJforces[i] = new DPVector(0, 0);
}
for (int i = 0; i < ensemble.GetNumberOfParticles(); ++i)
{
Particle particleI = ensemble.GetParticle(i);
for (j = (i + 1); j < ensemble.GetNumberOfParticles(); ++j)
{
Particle particleJ = ensemble.GetParticle(j);
// get the interparticle separation distances
ijSeparation = ensemble.GetInterParticleSeparation(i, j);
// update the radial distribution function
// pParticleSet->UpdateRadialDistributionFunction((int)(ijSeparation));
double cutoffDistance = MinimumDistance[i, j];
if (ijSeparation < cutoffDistance) {
// for each particle, change the appropriate element of the setWithinRangeOfAnotherParticle vector to true
posXi = particleI.Position.X; //ensemble.GetXParticlePosition(i);
posYi = particleI.Position.Y; //ensemble.GetYParticlePosition(i);
posXj = particleJ.Position.X; //ensemble.GetXParticlePosition(j);
posYj = particleJ.Position.Y; //ensemble.GetYParticlePosition(j);
// PotentialEnergy += LJenergyTermA[i][j]/(pow(ijSeparation,12.0))+LJenergyTermB[i][j]/pow(ijSeparation,6.0)+epsilon;
LJforce = (posXj - posXi) * (LJgradientTermA[i, j] / Math.Pow(ijSeparation, 13.0) + LJgradientTermB[i, j] / Math.Pow(ijSeparation, 7.0)) / ijSeparation;
if (Math.Abs(LJforce) > MaxForce || Math.Abs(LJforce) < MinForce) { LJforce = 0.0; } // error check for real-time stability...
else if(double.IsNaN(LJforce) || double.IsInfinity(LJforce)){LJforce = 0.0;} // error check for real-time stability...
DPVector newIForce = LJforces[i];
DPVector newJForce = LJforces[j];
newIForce.X += LJforce;
newJForce.X += -1.0 * LJforce;
// cout << "x "<< i << " " << j << " " << LJforce << endl;
// cout << "i " << i << " LJxforces[i] " << LJxforces[i] << " j " << j << " LJxforces[j] " << LJxforces[j] << endl;
// cout << "xi:=" << posXi << ";" << "xj:=" << posXj << ";" << "yi:=" << posYi << ";" << "yj:=" << posYj << ";" << LJxforces[i] << endl;
LJforce = (posYj - posYi) * (LJgradientTermA[i, j] / Math.Pow(ijSeparation, 13.0) + LJgradientTermB[i, j] / Math.Pow(ijSeparation, 7.0)) / ijSeparation;
if (Math.Abs(LJforce) > MaxForce || Math.Abs(LJforce) < MinForce) { LJforce = 0.0; } // error check for real-time stability...
else if (double.IsNaN(LJforce) || double.IsInfinity(LJforce)) { LJforce = 0.0; } // error check for real-time stability...
newIForce.Y += LJforce;
newJForce.Y += -1.0 * LJforce;
ensemble.SetParticlesWithinRange(i, j);
ensemble.SetParticlesWithinRange(j, i);
LJforces[i] = newIForce;
LJforces[j] = newJForce;
// cout << i << " " << j << endl;
}
else{
ensemble.SetParticlesNotWithinRange(i, j);
ensemble.SetParticlesNotWithinRange(j, i);
}
}
}
// set the forces in the Particle Ensemble Object
ensemble.AddForces(LJforces);
// set the potential energy
ensemble.AddPotentialEnergy(PotentialEnergy);
}
public void AddForces(DPVector[] Newforces)
{
for (int i = 0; i < m_NumberOfParticles; ++i)
{
Particle part = Particles[i];
DPVector vect = Newforces[i];
double newforceX = part.Force.X + vect.X;
double newforceY = part.Force.Y + vect.Y;
part.Force.X = newforceX;
part.Force.Y = newforceY;
}
}
public Particle()
{
// cout << "Particle allocated" << endl;
TypeID = 0;
m_Mass = 10;
m_ParticleCollided = false;
m_KineticEnergy = 0.0;
m_VInCollisionFrame = 0.0;
Position = new DPVector(0, 0);
PositionLast = new DPVector(0, 0);
Velocity = new DPVector(0, 0);
VelocityLast = new DPVector(0, 0);
Force = new DPVector(0, 0);
ForceLast = new DPVector(0, 0);
GridSector = new GridSector();
xVelocityAutoCorrelationFunction = new List<double>(new double[ParticleEnsemble.VelocityAutoCorrelationLength]); // this is the vector that will hold the particle's velocity autocorrelation function
yVelocityAutoCorrelationFunction = new List<double>(new double[ParticleEnsemble.VelocityAutoCorrelationLength]); // this is the vector that will hold the particle's velocity autocorrelation function
}
public void AddForces(DPVector[] NewForces)
{
for (int i = 0; i < NumberOfParticles; ++i)
{
DPVector newforce = pParticleVector[i].Force + NewForces[i];
pParticleVector[i].Force = newforce;
}
}
public override void CalculateForceField(ParticleEnsemble ensemble)
{
// variable declarations
double posXi, posYi;
double posXj, posYj;
double ijSeparation = 0.0, LJforce = 0.0, PotentialEnergy = 0.0;
// variable initializations
int BoxHeight = ensemble.BoxHeight;
int BoxWidth = ensemble.BoxWidth;
double MaxForce = ensemble.MaxForceThreshold;
double MinForce = -1.0 * (ensemble.MaxForceThreshold);
DPVector zero = new DPVector(0, 0);
// initialize vectors holding forces
for (int i = 0; i < ensemble.NumberOfParticles; ++i)
{
LJforces[i] = zero;
}
ensemble.ResetAllParticlesNotWithinRange();
for (int i = 0; i < ensemble.NumberOfParticles; ++i)
{
Particle particlei = ensemble.GetParticle(i);
for (int j = (i + 1); j < ensemble.NumberOfParticles; ++j)
{
Particle particlej = ensemble.GetParticle(j);
// get the interparticle separation distances
ijSeparation = ensemble.GetInterParticleSeparation(i, j);
double LJgradientTermA = particlei.ParticleType.LJgradientTermA[particlej.TypeID];
double LJgradientTermB = particlei.ParticleType.LJgradientTermB[particlej.TypeID];
// update the radial distribution function
double cutoffDistance = particlei.ParticleType.MinimumDistance[particlej.TypeID]; // MinimumDistance[i, j];
if (ijSeparation < cutoffDistance)
{
// for each particle, change the appropriate element of the setWithinRangeOfAnotherParticle vector to true
posXi = particlei.Position.X;
posYi = particlei.Position.Y;
posXj = particlej.Position.X;
posYj = particlej.Position.Y;
LJforce = (posXj - posXi) * (LJgradientTermA / Math.Pow(ijSeparation, 13.0) + LJgradientTermB / Math.Pow(ijSeparation, 7.0)) / ijSeparation;
if (Math.Abs(LJforce) > MaxForce || Math.Abs(LJforce) < MinForce)
{
// error check for real-time stability...
LJforce = 0.0;
}
else if(double.IsNaN(LJforce) || double.IsInfinity(LJforce))
{
// error check for real-time stability...
LJforce = 0.0;
}
LJforces[i].X += LJforce;
LJforces[j].X += -1.0 * LJforce;
LJforce = (posYj - posYi) * (LJgradientTermA / Math.Pow(ijSeparation, 13.0) + LJgradientTermB / Math.Pow(ijSeparation, 7.0)) / ijSeparation;
if (Math.Abs(LJforce) > MaxForce || Math.Abs(LJforce) < MinForce)
{
// error check for real-time stability...
LJforce = 0.0;
}
else if (double.IsNaN(LJforce) || double.IsInfinity(LJforce))
{
// error check for real-time stability...
LJforce = 0.0;
}
LJforces[i].Y += LJforce;
LJforces[j].Y += -1.0 * LJforce;
ensemble.SetParticlesWithinRange(i, j);
ensemble.SetParticlesWithinRange(j, i);
}
//else
//{
// ensemble.SetParticlesNotWithinRange(i, j);
//ensemble.SetParticlesNotWithinRange(j, i);
//}
}
}
// set the forces in the Particle Ensemble Object
ensemble.AddForces(LJforces);
// set the potential energy
ensemble.AddPotentialEnergy(PotentialEnergy);
}
public void ResizeForceArrays(ParticleEnsemble ensemble)
{
// clear out the forces vectors
//xforces.Clear();
//yforces.Clear();
// allocate vectors holding positions & forces
//xforces.AddRange(new double[ensemble.GetNumberOfParticles()]);
//yforces.AddRange(new double[ensemble.GetNumberOfParticles()]);
for (int i = 0; i < MaxParticles; i++)
{
forces[i] = new DPVector(0, 0);
}
}
/// <summary>
/// function to calculate Soft Spheres forcefield
/// </summary>
/// <param name="ensemble"></param>
public override void CalculateForceField(ParticleEnsemble ensemble)
{
// variable declarations
int i;
double posXi, posYi, radius;
double PotentialEnergy = 0.0;
// variable initializations
int BoxHeight = ensemble.GetBoxHeight();
int BoxWidth = ensemble.GetBoxWidth();
// #pragma omp parallel for
for (i = 0; i < ensemble.GetNumberOfParticles(); ++i)
{
// initialize vectors holding forces
forces[i] = new DPVector(0, 0); // HERE'S THE PROBLEM - THE INDEX WILL OVERRUN THE VECTOR SIZE!!!
}
//#pragma omp parallel for
for (i = 0; i < ensemble.GetNumberOfParticles(); ++i)
{
Particle particle = ensemble.GetParticle(i);
posXi = particle.Position.X; //ensemble.GetXParticlePosition(i);
posYi = particle.Position.Y; //ensemble.GetYParticlePosition(i);
radius = particle.Radius; //ensemble.GetParticleRadius(i);
// get pixel vectors along the particle's X & Y axes for getting gradient of image field
// there are 2 steps to this process:
// (1) do some gaussian smoothing with a user defined width parameter (this determines how
// many pixels we need
// (2) determine the gradient from linear regression of the 3 surrounding points...
// cout << "particle " << i << " Xpos " << posXi << " Ypos " << posYi << endl;
// first get the vectors that we need - the length of the vectors depend on the width of the gaussian
// if the pixels are near the edge, the pixels beyond them (which arent in the image) are simply returned as zeros
// vector < double > AllThePixelsAlongX = pParticleSet->GetAllThePixelsAlongX(posYi,posXi,RangeEitherSide);
// xforces[i] = pParticleSet->GetGradientScaleFactor()*GaussianSmoothedSlope(posXi,AllThePixelsAlongX);
// cout << "Xposition " << posXi << endl;
if (m_CalculateForceField_TempArray.Length < RangeEitherSide + 1)
{
m_CalculateForceField_TempArray = new double[RangeEitherSide + 1];
}
int count;
DPVector newForce = new DPVector();
GetSubsetOfPixelsAlongX(posYi, posXi, RangeEitherSide + 1, ref m_CalculateForceField_TempArray, out count);
// for(int kk=0; kk<SubsetOfPixelsAlongX.size(); ++kk){
// cout << kk << " " << SubsetOfPixelsAlongX[kk] << endl;
// }
// cout << "Xposition " << posXi << endl;
// for(int kk=1;kk<SubsetOfPixelsAlongX.size();++kk){cout << kk << " " << SubsetOfPixelsAlongX[kk] << endl;}
newForce.X = ensemble.GetGradientScaleFactor() * GaussianSmoothedSlope(posXi, m_CalculateForceField_TempArray, count);
// vector < double > AllThePixelsAlongY = pParticleSet->GetAllThePixelsAlongY(posXi,posYi,RangeEitherSide);
// cout << "Yposition " << posYi << endl;
// for(int kk=0;kk<AllThePixelsAlongY.size();++kk){cout << kk << " " << AllThePixelsAlongY[kk] << endl;}
// yforces[i] = pParticleSet->GetGradientScaleFactor()*GaussianSmoothedSlope(posYi,AllThePixelsAlongY);
GetSubsetOfPixelsAlongY(posXi, posYi, RangeEitherSide + 1, ref m_CalculateForceField_TempArray, out count);
//List<double> SubsetOfPixelsAlongY = GetSubsetOfPixelsAlongY(posXi, posYi, RangeEitherSide + 1);
// cout << "Yposition " << endl;
newForce.Y = ensemble.GetGradientScaleFactor() * GaussianSmoothedSlope(posYi, m_CalculateForceField_TempArray, count);
// cout << "yforces[i] " << i << " " << yforces[i] << endl;
// get the gradient scale factor, depending on whether the particle is attractive or repulsive
ParticleInfo typeInfo = ParticleStaticObjects.AtomPropertiesDefinition.Lookup[particle.TypeID];
double attractiveOrRepulsiveFactor = typeInfo.AttractiveOrRepulsive;
newForce.X *= attractiveOrRepulsiveFactor;
newForce.Y *= attractiveOrRepulsiveFactor;
forces[i] = newForce;
}
ensemble.AddForces(forces); // set the forces in the Particle Ensemble Object
ensemble.AddPotentialEnergy(PotentialEnergy); // add in the potential energy
}
/// <summary>
/// function to calculate Soft Spheres forcefield
/// </summary>
/// <param name="ensemble"></param>
public override void CalculateForceField(ParticleEnsemble ensemble)
{
// variable declarations
int i;
double posXi, posYi, radius;
double PotentialEnergy = 0.0;
// variable initializations
int BoxHeight = ensemble.BoxHeight;
int BoxWidth = ensemble.BoxWidth;
DPVector zero = new DPVector(0, 0);
// #pragma omp parallel for
for (i = 0; i < ensemble.NumberOfParticles; ++i)
{
// initialize vectors holding forces
forces[i] = zero;
}
//#pragma omp parallel for
for (i = 0; i < ensemble.NumberOfParticles; ++i)
{
Particle particlei = ensemble.GetParticle(i);
posXi = particlei.Position.X;
posYi = particlei.Position.Y;
radius = particlei.Radius;
// get pixel vectors along the particle's X & Y axes for getting gradient of image field
// there are 2 steps to this process:
// (1) do some gaussian smoothing with a user defined width parameter (this determines how
// many pixels we need
// (2) determine the gradient from linear regression of the 3 surrounding points...
// cout << "particle " << i << " Xpos " << posXi << " Ypos " << posYi << endl;
// first get the vectors that we need - the length of the vectors depend on the width of the gaussian
// if the pixels are near the edge, the pixels beyond them (which arent in the image) are simply returned as zeros
if (m_CalculateForceField_TempArray.Length < RangeEitherSide + 1)
{
m_CalculateForceField_TempArray = new double[RangeEitherSide + 1];
}
int count;
GetSubsetOfPixelsAlongX(posYi, posXi, RangeEitherSide + 1, ref m_CalculateForceField_TempArray, out count);
forces[i].X = ensemble.GradientScaleFactor * GaussianSmoothedSlope(posXi, m_CalculateForceField_TempArray, count);
GetSubsetOfPixelsAlongY(posXi, posYi, RangeEitherSide + 1, ref m_CalculateForceField_TempArray, out count);
forces[i].Y = ensemble.GradientScaleFactor * GaussianSmoothedSlope(posYi, m_CalculateForceField_TempArray, count);
// get the gradient scale factor, depending on whether the particle is attractive or repulsive
ParticleInfo typeInfo = ParticleStaticObjects.AtomPropertiesDefinition.Lookup[(ensemble.Particles[i]).TypeID];
double attractiveOrRepulsiveFactor = typeInfo.AttractiveOrRepulsive;
forces[i].X *= attractiveOrRepulsiveFactor;
forces[i].Y *= attractiveOrRepulsiveFactor;
}
// set the forces in the Particle Ensemble Object
ensemble.AddForces(forces);
// add in the potential energy
ensemble.AddPotentialEnergy(PotentialEnergy);
}
