Package chemaxon.calculations.nmr
Class NMRCalculator.Builder
- java.lang.Object
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- chemaxon.calculations.nmr.NMRCalculator.Builder
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- 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.
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Constructor Summary
Constructors Constructor Description Builder()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method 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.
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Method Detail
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getNucleus
public NMRSpectrum.Nucleus getNucleus()
Gets the nucleus type.- Returns:
NMRSpectrum.Nucleus.C13
orNMRSpectrum.Nucleus.H1
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setNucleus
public NMRCalculator.Builder setNucleus(NMRSpectrum.Nucleus nucleus)
Sets the NMR active nucleus.NMRSpectrum.Nucleus.C13
.- Parameters:
nucleus
-NMRSpectrum.Nucleus.C13
orNMRSpectrum.Nucleus.H1
- Returns:
- Builder for NMRCalculator.
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getUnit
public NMRSpectrum.Unit getUnit()
Gets the NMR unit.- Returns:
NMRSpectrum.Unit.ppm
orNMRSpectrum.Unit.Hz
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setUnit
public NMRCalculator.Builder setUnit(NMRSpectrum.Unit unit)
Sets NMR spectrum unit. Default value isNMRSpectrum.Unit.ppm
- Parameters:
unit
-NMRSpectrum.Unit.ppm
orNMRSpectrum.Unit.Hz
- Returns:
- Builder for NMRCalculator.
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getFormat
public String getFormat()
Spectrum export format.- Returns:
- format
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setFormat
public NMRCalculator.Builder setFormat(String format)
Sets the spectrum export format.- Parameters:
format
-- Returns:
- Builder for NMRCalculator.
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isCoupled
public boolean isCoupled()
Tells whether the spectrum is coupled.- Returns:
- true if spin-spin couplings are taken into account.
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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.
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getFrequency
public double getFrequency()
Gets the NMR frequency.- Returns:
- frequency in MHz.
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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.
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getLogger
public chemaxon.calculator.CalculatorLogger getLogger()
Gets the calculator logger.- Returns:
- logger
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build
public NMRCalculator build()
- Specified by:
build
in interfacechemaxon.calculator.CalculatorBuilder<NMRCalculator>
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setLogger
public NMRCalculator.Builder setLogger(chemaxon.calculator.CalculatorLogger logger)
- Specified by:
setLogger
in interfacechemaxon.calculator.CalculatorBuilder<NMRCalculator>
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