Package org.openscience.cdk.formula
Class IsotopeContainer
- java.lang.Object
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- org.openscience.cdk.formula.IsotopeContainer
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Constructor Summary
Constructors Constructor Description IsotopeContainer()
Constructor of the IsotopeContainer object.IsotopeContainer(double mass, double intensity)
Constructor of the IsotopeContainer object setting a mass and intensity value.IsotopeContainer(IsotopeContainer container)
IsotopeContainer(IMolecularFormula formula, double intensity)
Constructor of the IsotopeContainer object setting a IMolecularFormula object and intensity value.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description void
addFormula(IMolecularFormula formula)
Add a formula to this isotope container.Object
clone()
Clones this IsotopeContainer object and its content.IMolecularFormula
getFormula()
Get the IMolecularFormula object of this container.List<IMolecularFormula>
getFormulas()
Access the formulas of this isotope container.double
getIntensity()
Get the intensity value of this container.double
getMass()
Get the mass value of this container.void
setFormula(IMolecularFormula formula)
Set IMolecularFormula object of this container.void
setIntensity(double intensity)
Set the intensity value of this container.void
setMass(double mass)
Set the mass value of this container.String
toString()
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Constructor Detail
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IsotopeContainer
public IsotopeContainer()
Constructor of the IsotopeContainer object.
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IsotopeContainer
public IsotopeContainer(IMolecularFormula formula, double intensity)
Constructor of the IsotopeContainer object setting a IMolecularFormula object and intensity value.- Parameters:
formula
- The formula of this containerintensity
- The intensity of this container
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IsotopeContainer
public IsotopeContainer(double mass, double intensity)
Constructor of the IsotopeContainer object setting a mass and intensity value.- Parameters:
mass
- The mass of this containerintensity
- The intensity of this container
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IsotopeContainer
public IsotopeContainer(IsotopeContainer container)
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Method Detail
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setFormula
public void setFormula(IMolecularFormula formula)
Set IMolecularFormula object of this container.- Parameters:
formula
- The IMolecularFormula of the this container
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addFormula
public void addFormula(IMolecularFormula formula)
Add a formula to this isotope container.- Parameters:
formula
- the new formula
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setMass
public void setMass(double mass)
Set the mass value of this container.- Parameters:
mass
- The mass of the this container
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setIntensity
public void setIntensity(double intensity)
Set the intensity value of this container.- Parameters:
intensity
- The intensity of the this container
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getFormula
public IMolecularFormula getFormula()
Get the IMolecularFormula object of this container.- Returns:
- The IMolecularformula of the this container
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getFormulas
public List<IMolecularFormula> getFormulas()
Access the formulas of this isotope container.- Returns:
- the formulas
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getMass
public double getMass()
Get the mass value of this container.- Returns:
- The mass of the this container
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getIntensity
public double getIntensity()
Get the intensity value of this container.- Returns:
- The intensity of the this container
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clone
public Object clone() throws CloneNotSupportedException
Clones this IsotopeContainer object and its content.- Overrides:
clone
in classObject
- Returns:
- The cloned object
- Throws:
CloneNotSupportedException
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