private static string GetBoxDimensionString(IParticleFilm <Aggregate> particleFilm)
{
var xdim = $"{DoubleToString(particleFilm.SimulationBox.XDim.Lower)} {DoubleToString(particleFilm.SimulationBox.XDim.Upper)}";
var ydim = $"{DoubleToString(particleFilm.SimulationBox.YDim.Lower)} {DoubleToString(particleFilm.SimulationBox.YDim.Upper)}";
var zdim = $"{DoubleToString(particleFilm.SimulationBox.ZDim.Lower)} {DoubleToString(particleFilm.SimulationBox.ZDim.Upper)}";
return($"ITEM: BOX BOUNDS pp pp pp{Environment.NewLine}{xdim}{Environment.NewLine}{ydim}{Environment.NewLine}{zdim}{Environment.NewLine}");
}
public double GetPorosity <T>(IParticleFilm <T> particleFilm, int numberOfLocations)
{
var verticalLimits = GetVerticalFilmLimits(particleFilm);
var horizontalLimits = GetHorizontalFilmLimits(particleFilm);
var porosity = ComputePorosityInLimits(particleFilm, verticalLimits, horizontalLimits, numberOfLocations);
return(porosity);
}
private double[] GetHorizontalFilmLimits <T>(IParticleFilm <T> particleFilm)
{
return(new double[]
{
0.9 * particleFilm.SimulationBox.XDim.Lower,
0.9 * particleFilm.SimulationBox.XDim.Upper
});
}
public async Task <IParticleFilm <Aggregate> > BuildFilm_Async(IEnumerable <Aggregate> aggregates, IProgress <ProgressReportModel> progress, double delta, CancellationToken ct)
{
ParticleFilm = new TetragonalAggregatedParticleFilm(_simulationBox, _neighborslistFactory);
var report = new ProgressReportModel();
var stopwatch = new Stopwatch();
stopwatch.Start();
await ProcessAggregates(aggregates, progress, report, stopwatch, delta, ct);
return(ParticleFilm);
}
private double ComputePorosityInLimits <T>(IParticleFilm <T> particleFilm, double[] verticalLimits, double[] horizontalLimits, int numberOfLocations)
{
var poreHits = 0;
var neighborsList = _neighborslistFactory.Build3DNeighborslist(particleFilm.PrimaryParticles);
var maxRadius = particleFilm.PrimaryParticles.GetMaxRadius();
for (var i = 0; i < numberOfLocations; i++)
{
poreHits += Convert.ToInt32(IsRandomLocationInPore(verticalLimits, horizontalLimits, neighborsList, maxRadius));
}
return(poreHits / Convert.ToDouble(numberOfLocations, CultureInfo.InvariantCulture));
}
public static async Task <int> GetNumberOfOverlappingPrimaryParticles_Async(IParticleFilm <Aggregate> particleFilm, bool highlightPrimaryParticle)
{
var neighborslistFactory = new AccordNeighborslistFactory();
var neighborslist = await neighborslistFactory.Build3DNeighborslist_Async(particleFilm.PrimaryParticles);
var tasks = new List <Task <int> >();
foreach (var primaryParticle in particleFilm.PrimaryParticles)
{
tasks.Add(Task.Run(() => GetPrimaryParticleOverlaps(primaryParticle, particleFilm, neighborslist, highlightPrimaryParticle)));
}
var counts = await Task.WhenAll(tasks);
return(counts.Sum());
}
public static void SerializeParticleFilm(IParticleFilm <Aggregate> particleFilm, string filename)
{
using var outfile = new StreamWriter(filename);
outfile.Write($"ITEM: TIMESTEP{Environment.NewLine}0{Environment.NewLine}");
outfile.Write($"ITEM: NUMBER OF ATOMS{Environment.NewLine}{particleFilm.NumberOfPrimaryParticles}{Environment.NewLine}");
outfile.Write(GetBoxDimensionString(particleFilm));
outfile.Write($"ITEM: ATOMS id type aggregate cluster x y z Radius{Environment.NewLine}");
foreach (var agg in particleFilm.Particles)
{
foreach (var cluster in agg.Cluster)
{
foreach (var particle in cluster.PrimaryParticles)
{
outfile.Write(GetPrimaryParticleString(particle, cluster, agg));
}
}
}
}
public void Export(
IParticleFilm <Aggregate> particleFilm,
string filename,
FileFormat fileFormat,
bool doUseSI)
{
switch (fileFormat)
{
case FileFormat.Json:
_jsonSerializer.Serialize(particleFilm, filename);
break;
case FileFormat.Xml:
_xmlSerializer.Serialize(particleFilm, filename);
break;
case FileFormat.LammpsDump:
_lammpsSerializer.Serialize(particleFilm, filename);
break;
default:
return;
}
}
private double[] GetVerticalFilmLimits <T>(IParticleFilm <T> particleFilm)
{
return(new[] { 0.1 * particleFilm.SimulationBox.ZDim.Lower, 0.9 * particleFilm.SimulationBox.ZDim.Upper });
}
public async Task Run_Async()
{
_result = await _filmFormationService.BuildFilm_Async(_aggregates, _progress, _delta, _cts.Token);
}
private static int GetPrimaryParticleOverlaps(PrimaryParticle primaryParticle, IParticleFilm <Aggregate> particleFilm, INeighborslist neighborslist, bool highlightPrimaryParticle)
{
var neighbors = neighborslist.GetPrimaryParticlesAndDistanceWithinRadius(primaryParticle.Position, primaryParticle.Radius + particleFilm.PrimaryParticles.GetMaxRadius());
var count = 0;
foreach (var neigh in neighbors)
{
if (primaryParticle == neigh.Item1)
{
continue;
}
if (primaryParticle.Radius + neigh.Item1.Radius - neigh.Item2 > 1e-6)
{
count++;
if (highlightPrimaryParticle)
{
primaryParticle.Type = 2;
}
}
}
return(count);
}