cct.modelling
Class Frequencies

java.lang.Object
  extended by cct.modelling.Frequencies

public class Frequencies
extends java.lang.Object

Title: Computational Chemistry Tookit

Description:

Copyright: Copyright (c) 2005-2008 Dr. Vladislav Vassiliev

Company: ANU


Constructor Summary
Frequencies()
           
 
Method Summary
static double calculateIntensity(double[] freqs, double[] values, double x, VIBRATIONAL_SPECTRUM_CURVE curve_type)
          Calculates intensity at point x
static void main(java.lang.String[] args)
           
static void makeCurve(double[] freqs, double[] values, double[] x, double[] y, int dim, VIBRATIONAL_SPECTRUM_CURVE curve_type)
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Constructor Detail

Frequencies

public Frequencies()
Method Detail

makeCurve

public static void makeCurve(double[] freqs,
                             double[] values,
                             double[] x,
                             double[] y,
                             int dim,
                             VIBRATIONAL_SPECTRUM_CURVE curve_type)

calculateIntensity

public static double calculateIntensity(double[] freqs,
                                        double[] values,
                                        double x,
                                        VIBRATIONAL_SPECTRUM_CURVE curve_type)
Calculates intensity at point x

Parameters:
freqs - double[]
values - double[]
x - double
curve_type - VIBRATIONAL_SPECTRUM_CURVE
Returns:
double

main

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