meshi.symmetryComplex.energy.edmEnergy
Class EDMSplinedPolynomial

java.lang.Object
  meshi.symmetryComplex.energy.edmEnergy.EDMSplinedPolynomial

public class EDMSplinedPolynomial
extends java.lang.Object

Field Summary

private double[][]	breaks
private double[]	coefs
private static int	NUM_DIMENSIONS

Constructor Summary

EDMSplinedPolynomial(double[][] breaks, double[] coefs)
Create a new EDMSplinedPolynomial from parameters.

EDMSplinedPolynomial(java.lang.String edmDataFileNum)
Create a new EDMSplinedPolynomial from a file.

Method Summary

int	findBin(double[] breaks, double value) Find break index (bin) for value.
private static double	quickPower(double torsion, int power) Raises a double by the power, with 0 <= power <= 3.
double	value(int derivVar, double... args) Evaluate value of polynomial or any of its first derivations at given point.

Methods inherited from class java.lang.Object

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

Field Detail

NUM_DIMENSIONS

private static final int NUM_DIMENSIONS

See Also:

Constant Field Values

breaks

private double[][] breaks

coefs

private double[] coefs

Constructor Detail

EDMSplinedPolynomial

public EDMSplinedPolynomial(double[][] breaks,
                            double[] coefs)

Create a new EDMSplinedPolynomial from parameters.

Parameters:

breaks - each break has different coefficients

coefs - coefficienst by breaks

EDMSplinedPolynomial

public EDMSplinedPolynomial(java.lang.String edmDataFileNum)
                     throws java.io.IOException

Create a new EDMSplinedPolynomial from a file.

Throws:

java.io.IOException

Method Detail

value

public double value(int derivVar,
                    double... args)

Evaluate value of polynomial or any of its first derivations at given point.

Parameters:

derivVar - variable to be derived (zero for none)

args - list of variable assignments

Returns:

evaluation of polynomial

findBin

public int findBin(double[] breaks,
                   double value)

Find break index (bin) for value.

Returns:

left bound of break, -1 if no break found.

quickPower

private static double quickPower(double torsion,
                                 int power)

Raises a double by the power, with 0 <= power <= 3. For the special exception of power=-1, returns 0 (as it eases polynomial derivation calculations).