public class Molecule extends AtomContainer implements Serializable, IMolecule, Cloneable
| Constructor and Description |
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Molecule()
Creates an Molecule without Atoms and Bonds.
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Molecule(IAtomContainer container)
Constructs a Molecule with
a shallow copy of the atoms and bonds of an AtomContainer.
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Molecule(int atomCount,
int bondCount,
int lonePairCount,
int singleElectronCount)
Constructor for the Molecule object.
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| Modifier and Type | Method and Description |
|---|---|
IMolecule |
clone()
Clones this AtomContainer object and its content.
|
String |
toString()
Returns a one line string representation of this Atom.
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add, addAtom, addBond, addBond, addBond, addElectronContainer, addLonePair, addLonePair, addSingleElectron, addSingleElectron, addStereoElement, atoms, bonds, contains, contains, contains, contains, contains, electronContainers, getAtom, getAtomCount, getAtomNumber, getBond, getBond, getBondCount, getBondNumber, getBondNumber, getBondOrderSum, getConnectedAtomsCount, getConnectedAtomsList, getConnectedBondsCount, getConnectedBondsCount, getConnectedBondsList, getConnectedElectronContainersList, getConnectedLonePairsCount, getConnectedLonePairsList, getConnectedSingleElectronsCount, getConnectedSingleElectronsList, getElectronContainer, getElectronContainerCount, getFirstAtom, getLastAtom, getLonePair, getLonePairCount, getLonePairNumber, getMaximumBondOrder, getMinimumBondOrder, getSingleElectron, getSingleElectronCount, getSingleElectronNumber, isEmpty, lonePairs, remove, removeAllBonds, removeAllElectronContainers, removeAllElements, removeAtom, removeAtom, removeAtomAndConnectedElectronContainers, removeBond, removeBond, removeBond, removeElectronContainer, removeElectronContainer, removeLonePair, removeLonePair, removeSingleElectron, removeSingleElectron, setAtom, setAtoms, setBonds, setStereoElements, singleElectrons, stateChanged, stereoElementsaddListener, compare, getBuilder, getFlag, getFlags, getID, getListenerCount, getNotification, getProperties, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, shallowCopyequals, getClass, hashCode, notify, notifyAll, wait, wait, waitadd, addAtom, addBond, addBond, addBond, addElectronContainer, addLonePair, addLonePair, addSingleElectron, addSingleElectron, addStereoElement, atoms, bonds, contains, contains, contains, contains, contains, electronContainers, getAtom, getAtomCount, getAtomNumber, getBond, getBond, getBondCount, getBondNumber, getBondNumber, getBondOrderSum, getConnectedAtomsCount, getConnectedAtomsList, getConnectedBondsCount, getConnectedBondsCount, getConnectedBondsList, getConnectedElectronContainersList, getConnectedLonePairsCount, getConnectedLonePairsList, getConnectedSingleElectronsCount, getConnectedSingleElectronsList, getElectronContainer, getElectronContainerCount, getFirstAtom, getLastAtom, getLonePair, getLonePairCount, getLonePairNumber, getMaximumBondOrder, getMinimumBondOrder, getSingleElectron, getSingleElectronCount, getSingleElectronNumber, isEmpty, lonePairs, remove, removeAllBonds, removeAllElectronContainers, removeAllElements, removeAtom, removeAtom, removeAtomAndConnectedElectronContainers, removeBond, removeBond, removeBond, removeElectronContainer, removeElectronContainer, removeLonePair, removeLonePair, removeSingleElectron, removeSingleElectron, setAtom, setAtoms, setBonds, setStereoElements, singleElectrons, stereoElementsaddListener, getFlag, getFlags, getID, getListenerCount, getNotification, getProperties, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setPropertygetBuilderstateChangedpublic Molecule()
public Molecule(int atomCount,
int bondCount,
int lonePairCount,
int singleElectronCount)
atomCount - init capacity of Atom arraybondCount - init capacity of Bond arraylonePairCount - number of lone pairssingleElectronCount - number of single electronspublic Molecule(IAtomContainer container)
container - An Molecule to copy the atoms and bonds frompublic String toString()
toString in interface IChemObjecttoString in class AtomContainerpublic IMolecule clone() throws CloneNotSupportedException
AtomContainerclone in interface IAtomContainerclone in interface IChemObjectclone in interface IMoleculeclone in class AtomContainerCloneNotSupportedException - if the IChemObject cannot be clonedChemObject.shallowCopy()