Package chemaxon.calculations.dipole
Class DipoleCalculator
- java.lang.Object
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- chemaxon.calculator.ProgressableCalculator<Molecule,DipoleResult>
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- chemaxon.calculations.dipole.DipoleCalculator
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- All Implemented Interfaces:
chemaxon.calculator.Calculator<Molecule,DipoleResult>
,chemaxon.license.Licensable
@PublicAPI 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.
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Nested Class Summary
Nested Classes Modifier and Type Class Description static class
DipoleCalculator.Builder
Builder class for dipole moment calculation.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description DipoleResult
calculate(Molecule molecule)
List<CalculatorError>
check(Molecule data)
chemaxon.calculator.CalculatorFormatter
getFormatter()
String
getProductName()
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Methods inherited from class chemaxon.calculator.ProgressableCalculator
addPropertyChangeListener, addPropertyChangeListener, cancel, cancelCalculation, checkData, checkLicense, finishCalculation, getErrorMessage, isCancelled, isLicensed, isRunning, removePropertyChangeListener, removePropertyChangeListener, sendProgress, setLicenseEnvironment, startCalculation
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Method Detail
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getFormatter
public chemaxon.calculator.CalculatorFormatter getFormatter()
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check
public List<CalculatorError> check(Molecule data)
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calculate
public DipoleResult calculate(Molecule molecule) throws IllegalArgumentException
- Throws:
IllegalArgumentException
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getProductName
public String getProductName()
- Specified by:
getProductName
in classchemaxon.calculator.ProgressableCalculator<Molecule,DipoleResult>
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