Package org.openscience.cdk
Class Vibration
- java.lang.Object
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- org.openscience.cdk.Vibration
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description void
addAtomVector(double[] atomVector)
Adds a atom vector to the vibration.double[]
getAtomVector(int index)
Gets a atom vector at index given.int
getAtomVectorCount()
Gets the number of atom vectors in the vibration.Iterator<double[]>
getAtomVectors()
Returns an Enumeration of the atom vectors of this vibration.String
getLabel()
Gets the label identifying this vibration.void
removeAtomVectors()
Removes all atom vectors from this vibration.
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Constructor Detail
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Vibration
public Vibration(String label)
Create a vibration identified by the label.- Parameters:
label
- identification for this vibration
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Method Detail
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getLabel
public String getLabel()
Gets the label identifying this vibration.- Returns:
- label identifying this vibration
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addAtomVector
public void addAtomVector(double[] atomVector)
Adds a atom vector to the vibration.- Parameters:
atomVector
- atom vector in double[3] array
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getAtomVector
public double[] getAtomVector(int index)
Gets a atom vector at index given.- Parameters:
index
- number for the atom vector to be returned- Returns:
- atom vector in double[3] array
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getAtomVectorCount
public int getAtomVectorCount()
Gets the number of atom vectors in the vibration.- Returns:
- number of atom vectors
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getAtomVectors
public Iterator<double[]> getAtomVectors()
Returns an Enumeration of the atom vectors of this vibration.- Returns:
- an enumeration of the atom vectors of this vibration
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removeAtomVectors
public void removeAtomVectors()
Removes all atom vectors from this vibration.
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