Package etomica.virial

Class CalcFFT

java.lang.Object

etomica.virial.CalcFFT

public class CalcFFT
extends java.lang.Object

CalcFFT can calculate distribution functions using FFT. Results are cached and reused if the component is needed again. Numerical results for components can also be taken from a file

Field Summary

Fields

Modifier and Type	Field	Description
protected double	del_r
protected SineTransform	dst
protected double[]	ffr
protected double[]	fk
protected double[]	fr
protected java.util.HashMap<java.lang.Object,double[]>	kDistributionHash
protected int	N
protected java.util.HashMap<java.lang.Object,double[]>	rDistributionErrorHash
protected java.util.HashMap<java.lang.Object,double[]>	rDistributionHash
protected double	reducedTemp

Constructor Summary

Constructors

Constructor	Description
CalcFFT(IFunction f, double dr, int power)

Method Summary

Modifier and Type	Method	Description
protected void	getfr(IFunction f)
static void	main(java.lang.String[] args)
static IFunction	makeF(Potential2Spherical p2, double temperature)
static void	Mul(double[] a, double[] b)
static void	printStrands(java.util.List list, int deep)
double[]	readDistribution(int graphNum, boolean err)
double[][]	value(java.util.List obj, boolean isK)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

reducedTemp

protected double reducedTemp

N

protected int N

dst

protected SineTransform dst

del_r

protected double del_r

fr

protected double[] fr

fk

protected double[] fk

ffr

protected double[] ffr

rDistributionHash

protected final java.util.HashMap<java.lang.Object,double[]> rDistributionHash

rDistributionErrorHash

protected final java.util.HashMap<java.lang.Object,double[]> rDistributionErrorHash

kDistributionHash

protected final java.util.HashMap<java.lang.Object,double[]> kDistributionHash

Constructor Detail

CalcFFT

public CalcFFT(IFunction f,
               double dr,
               int power)

Method Detail

makeF

public static IFunction makeF(Potential2Spherical p2,
                              double temperature)

getfr

protected void getfr(IFunction f)

Mul

public static void Mul(double[] a,
                       double[] b)

printStrands

public static void printStrands(java.util.List list,
                                int deep)

value

public double[][] value(java.util.List obj,
                        boolean isK)

readDistribution

public double[] readDistribution(int graphNum,
                                 boolean err)

main

public static void main(java.lang.String[] args)