public class FragmentAtom extends PseudoAtom implements IFragmentAtom
Group
concept.IAtomType.Hybridization
exactMass, naturalAbundance
Constructor and Description |
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FragmentAtom() |
Modifier and Type | Method and Description |
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Double |
getExactMass()
The exact mass of an FragmentAtom is defined as the sum of exact masses
of the IAtom's in the fragment.
|
IAtomContainer |
getFragment()
Returns the fully expended form of the IFragmentAtom.
|
boolean |
isExpanded()
Helper method to indicate that the method should be drawn fully, and not
just the abbreviated form.
|
void |
setExactMass(Double mass)
Sets the ExactMass attribute of the Isotope object.
|
void |
setExpanded(boolean bool) |
void |
setFragment(IAtomContainer fragment)
Sets the fully expended form of the IFragmentAtom.
|
String |
toString()
Returns a one line string representation of this Atom.
|
clone, getLabel, setLabel, setStereoParity
compare, getCharge, getFractionalPoint3d, getImplicitHydrogenCount, getPoint2d, getPoint3d, getStereoParity, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setPoint2d, setPoint3d
getAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValency
getMassNumber, getNaturalAbundance, setMassNumber, setNaturalAbundance
getAtomicNumber, getSymbol, setAtomicNumber, setSymbol
addListener, getBuilder, getFlag, getFlags, getID, getListenerCount, getNotification, getProperties, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, shallowCopy
equals, getClass, hashCode, notify, notifyAll, wait, wait, wait
getLabel, setLabel
getCharge, getFractionalPoint3d, getImplicitHydrogenCount, getPoint2d, getPoint3d, getStereoParity, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setPoint2d, setPoint3d, setStereoParity
getAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValency
getMassNumber, getNaturalAbundance, setMassNumber, setNaturalAbundance
getAtomicNumber, getSymbol, setAtomicNumber, setSymbol
addListener, clone, getFlag, getFlags, getID, getListenerCount, getNotification, getProperties, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty
getBuilder
public boolean isExpanded()
IFragmentAtom
isExpanded
in interface IFragmentAtom
public void setExpanded(boolean bool)
setExpanded
in interface IFragmentAtom
public IAtomContainer getFragment()
IFragmentAtom
getFragment
in interface IFragmentAtom
public void setFragment(IAtomContainer fragment)
IFragmentAtom
setFragment
in interface IFragmentAtom
fragment
- The fragmentpublic void setExactMass(Double mass)
Isotope
setExactMass
in interface IIsotope
setExactMass
in class Isotope
mass
- The new ExactMass valueIsotope.getExactMass()
public Double getExactMass()
getExactMass
in interface IIsotope
getExactMass
in class Isotope
Isotope.setExactMass(java.lang.Double)
public String toString()
PseudoAtom
toString
in interface IChemObject
toString
in class PseudoAtom