private double[] computeCenterOfMass(ArrayList<IParticle> relevantParticles) {
double[] com = new double[3];
for (IParticle p : relevantParticles) {
com = DoubleArrays.add(com, p.get_coords());
}
if (!relevantParticles.isEmpty()) {
return DoubleArrays.multiply(1 / relevantParticles.size(), com);
} else {
System.out.println("no relevant particles present for computation");
return com;
}
}
/** Test of propagateSingle method, of class DiffusionEngine. */
@Test
public void testPropagateSingle() {
BufferedWriter out = null;
try {
String path = "./test/testInputFiles/test_diffusionEngine/";
String singleOutFileName = path + "DiffusionEngineTest_single.txt";
out = new BufferedWriter(new FileWriter(singleOutFileName));
IParticleAllAccess p = new Particle(0, 0, new double[] {15, 5, 5});
AdvancedSystemOut.println("p1 new coords a", p.get_coords(), "");
double[] newCoords = new double[p.get_coords().length];
newCoords = p.get_coords();
int nSteps = nIntegrationSteps;
out.write("{");
for (int i = 0; i < nSteps; i++) {
newCoords = DoubleArrays.add(newCoords, diffusionEngine.propagateSingle(p));
AdvancedSystemOut.println("p1 new coords aa", newCoords, "");
out.write("{");
for (int j = 0; j < newCoords.length; j++) {
if (j == newCoords.length - 1) {
out.write(Double.toString(newCoords[j]));
} else {
out.write(Double.toString(newCoords[j]) + ",");
}
}
p.set_coords(newCoords);
if (i == nSteps - 1) {
out.write("}\n");
} else {
out.write("},\n");
}
}
out.write("}\n");
} catch (IOException ex) {
Logger.getLogger(DiffusionEngineTest.class.getName()).log(Level.SEVERE, null, ex);
} finally {
try {
out.close();
} catch (IOException ex) {
Logger.getLogger(DiffusionEngineTest.class.getName()).log(Level.SEVERE, null, ex);
}
}
}
/** Test of propagatePair method, of class DiffusionEngine. */
@Test
public void testPropagatePair() {
BufferedWriter out = null;
try {
String path = "./test/testInputFiles/test_diffusionEngine/";
String singleOutFileName = path + "DiffusionEngineTest_pair.txt";
out = new BufferedWriter(new FileWriter(singleOutFileName));
System.out.println("propagatePair");
IParticleAllAccess p1 = new Particle(10, 0, new double[] {5, 5, 5});
IParticleAllAccess p2 = new Particle(11, 0, new double[] {5.1, 5.1, 5.1});
double dist;
double[][] newCoords = new double[2][3];
newCoords[0] = p1.get_coords();
newCoords[1] = p2.get_coords();
int nSteps = nIntegrationSteps;
out.write("{\n");
for (int i = 0; i < nSteps; i++) {
dist = DoubleArrays.distance(p1.get_coords(), p2.get_coords());
System.out.println("dist: " + dist);
double[][] cumulatedDisplacement = diffusionEngine.propagatePair(p1, p2, dist);
newCoords[0] = DoubleArrays.add(newCoords[0], cumulatedDisplacement[0]);
newCoords[1] = DoubleArrays.add(newCoords[1], cumulatedDisplacement[1]);
// add a little noise:
out.write("{");
for (int j = 0; j < newCoords.length; j++) {
out.write("{");
for (int k = 0; k < newCoords[j].length; k++) {
if (k == newCoords[j].length - 1) {
out.write(Double.toString(newCoords[j][k]));
} else {
out.write(Double.toString(newCoords[j][k]) + ",");
}
}
if (j == newCoords.length - 1) {
out.write("}");
} else {
out.write("},\n");
}
}
if (i == nSteps - 1) {
out.write("}\n");
} else {
out.write("},\n");
}
// add a little noise
newCoords[0] = DoubleArrays.add(newCoords[0], diffusionEngine.propagateSingle(p1));
newCoords[1] = DoubleArrays.add(newCoords[1], diffusionEngine.propagateSingle(p2));
p1.set_coords(newCoords[0]);
p2.set_coords(newCoords[1]);
}
out.write("}");
} catch (IOException ex) {
Logger.getLogger(DiffusionEngineTest.class.getName()).log(Level.SEVERE, null, ex);
} finally {
try {
out.close();
} catch (IOException ex) {
Logger.getLogger(DiffusionEngineTest.class.getName()).log(Level.SEVERE, null, ex);
}
}
}