@TestClass(value="org.openscience.cdk.formula.IsotopePatternTest") public class IsotopePattern extends Object
Constructor and Description |
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IsotopePattern()
Constructor of the IsotopePattern object.
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Modifier and Type | Method and Description |
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void |
addIsotope(IsotopeContainer isoContainer)
Add an isotope object.
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Object |
clone()
Clones this IsotopePattern object and its content.
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double |
getCharge()
Get the charge in this pattern.
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IsotopeContainer |
getIsotope(int position)
Returns the a isotopes given a specific position.
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List<IsotopeContainer> |
getIsotopes()
Returns the all isotopes that form this isotope pattern.
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IsotopeContainer |
getMonoIsotope()
Returns the mono-isotope peak that form this isotope pattern.
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int |
getNumberOfIsotopes()
Returns the number of isotopes in this pattern.
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void |
setCharge(double charge)
Set the charge in this pattern.
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void |
setMonoIsotope(IsotopeContainer isoContainer)
Set the mono isotope object.
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@TestMethod(value="testSetMonoIsotope_IsotopeContainer") public void setMonoIsotope(IsotopeContainer isoContainer)
isoContainer
- The IsotopeContainer object@TestMethod(value="testAddIsotope_IsotopeContainer") public void addIsotope(IsotopeContainer isoContainer)
isoContainer
- The IsotopeContainer object@TestMethod(value="testGetMonoIsotope") public IsotopeContainer getMonoIsotope()
@TestMethod(value="testGetIsotopes") public List<IsotopeContainer> getIsotopes()
@TestMethod(value="testGetIsotope_int") public IsotopeContainer getIsotope(int position)
position
- position of the isotope to return@TestMethod(value="testGetNumberOfIsotopes") public int getNumberOfIsotopes()
@TestMethod(value="testSetCharge_double") public void setCharge(double charge)
charge
- The charge value@TestMethod(value="testGetCharge") public double getCharge()
@TestMethod(value="testClone") public Object clone() throws CloneNotSupportedException
clone
in class Object
CloneNotSupportedException