chemaxon.calculations.nmr

Class NMRCalculator.Builder

java.lang.Object

chemaxon.calculations.nmr.NMRCalculator.Builder

All Implemented Interfaces:

chemaxon.calculator.CalculatorBuilder<NMRCalculator>

Enclosing class:

NMRCalculator

public static class NMRCalculator.Builder
extends Object
implements chemaxon.calculator.CalculatorBuilder<NMRCalculator>

Builder class for NMRCalculator.

Author:

Rita Veréb

Constructor Summary

Constructors

Constructor and Description
NMRCalculator.Builder()

Method Summary

Methods

Modifier and Type	Method and Description
NMRCalculator	build()
String	getFormat() Spectrum export format.
double	getFrequency() Gets the NMR frequency.
chemaxon.calculator.CalculatorLogger	getLogger() Gets the calculator logger.
NMRSpectrum.Nucleus	getNucleus() Gets the nucleus type.
NMRSpectrum.Unit	getUnit() Gets the NMR unit.
boolean	isCoupled() Tells whether the spectrum is coupled.
NMRCalculator.Builder	setCoupled(boolean coupled) Coupled/decoupled spectrum.
NMRCalculator.Builder	setFormat(String format) Sets the spectrum export format.
NMRCalculator.Builder	setFrequency(double frequency) Sets NMR measurement frequency.
NMRCalculator.Builder	setLogger(chemaxon.calculator.CalculatorLogger logger)
NMRCalculator.Builder	setNucleus(NMRSpectrum.Nucleus nucleus) Sets the NMR active nucleus.
NMRCalculator.Builder	setUnit(NMRSpectrum.Unit unit) Sets NMR spectrum unit.

Methods inherited from class java.lang.Object

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

Constructor Detail

NMRCalculator.Builder

public NMRCalculator.Builder()

Method Detail

getNucleus

public NMRSpectrum.Nucleus getNucleus()

Gets the nucleus type.

Returns:

NMRSpectrum.Nucleus.C13 or NMRSpectrum.Nucleus.H1

setNucleus

public NMRCalculator.Builder setNucleus(NMRSpectrum.Nucleus nucleus)

Sets the NMR active nucleus. NMRSpectrum.Nucleus.C13.

Parameters:

nucleus - NMRSpectrum.Nucleus.C13 or NMRSpectrum.Nucleus.H1

Returns:

Builder for NMRCalculator.

getUnit

public NMRSpectrum.Unit getUnit()

Gets the NMR unit.

Returns:

NMRSpectrum.Unit.ppm or NMRSpectrum.Unit.Hz

setUnit

public NMRCalculator.Builder setUnit(NMRSpectrum.Unit unit)

Sets NMR spectrum unit. Default value is NMRSpectrum.Unit.ppm

Parameters:

unit - NMRSpectrum.Unit.ppm or NMRSpectrum.Unit.Hz

Returns:

Builder for NMRCalculator.

getFormat

public String getFormat()

Spectrum export format.

Returns:

format

setFormat

public NMRCalculator.Builder setFormat(String format)

Sets the spectrum export format.

Parameters:

format -

Returns:

Builder for NMRCalculator.

isCoupled

public boolean isCoupled()

Tells whether the spectrum is coupled.

Returns:

true if spin-spin couplings are taken into account.

setCoupled

public NMRCalculator.Builder setCoupled(boolean coupled)

Coupled/decoupled spectrum. Default value is true.

Parameters:

coupled - True if coupled spectrum is needed, false otherwise.

Returns:

Builder for NMRCalculator.

getFrequency

public double getFrequency()

Gets the NMR frequency.

Returns:

frequency in MHz.

setFrequency

public NMRCalculator.Builder setFrequency(double frequency)

Sets NMR measurement frequency. Default value is 500 MHz.

Parameters:

frequency - NMR frequency in MHz.

Returns:

Builder for NMRCalculator.

getLogger

public chemaxon.calculator.CalculatorLogger getLogger()

Gets the calculator logger.

Returns:

logger

build

public NMRCalculator build()

Specified by:

build in interface chemaxon.calculator.CalculatorBuilder<NMRCalculator>

setLogger

public NMRCalculator.Builder setLogger(chemaxon.calculator.CalculatorLogger logger)

Specified by:

setLogger in interface chemaxon.calculator.CalculatorBuilder<NMRCalculator>