chemaxon.calculations.dipole

Class DipoleCalculator

java.lang.Object

chemaxon.calculator.ProgressableCalculator<Molecule,DipoleResult>

chemaxon.calculations.dipole.DipoleCalculator

All Implemented Interfaces:

chemaxon.calculator.Calculator<Molecule,DipoleResult>, chemaxon.license.Licensable

public class DipoleCalculator
extends chemaxon.calculator.ProgressableCalculator<Molecule,DipoleResult>

Calculates the components of the dipole vector. Dipole vector components are referenced to the principal axis system.

Author:

Csaba Fabri

Nested Class Summary

Nested Classes

Modifier and Type	Class and Description
static class	DipoleCalculator.Builder Builder class for dipole moment calculation.

Nested classes/interfaces inherited from class chemaxon.calculator.ProgressableCalculator

chemaxon.calculator.ProgressableCalculator.CalculatorMProgressMonitor

Field Summary

Fields inherited from class chemaxon.calculator.ProgressableCalculator

cancelled, licenseEnvironment, PROGRESS, running, RUNNING

Method Summary

Methods

Modifier and Type	Method and Description
DipoleResult	calculate(Molecule molecule)
List<chemaxon.calculator.CalculatorInputValidator.CalculatorError>	check(Molecule data)
chemaxon.calculator.CalculatorFormatter	getFormatter()
String	getProductName()

Methods inherited from class chemaxon.calculator.ProgressableCalculator

addPropertyChangeListener, addPropertyChangeListener, cancel, cancelCalculation, checkData, checkLicense, finishCalculation, getErrorMessage, isCancelled, isLicensed, isRunning, removePropertyChangeListener, removePropertyChangeListener, sendProgress, setLicenseEnvironment, startCalculation

Methods inherited from class java.lang.Object

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

Method Detail

getFormatter

public chemaxon.calculator.CalculatorFormatter getFormatter()

check

public List<chemaxon.calculator.CalculatorInputValidator.CalculatorError> check(Molecule data)

calculate

public DipoleResult calculate(Molecule molecule)
                       throws IllegalArgumentException

Throws:

IllegalArgumentException

getProductName

public String getProductName()

Specified by:

getProductName in class chemaxon.calculator.ProgressableCalculator<Molecule,DipoleResult>