public interface IBond extends IElectronContainer
Modifier and Type | Interface and Description |
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static class |
IBond.Order
A list of permissible bond orders.
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static class |
IBond.Stereo
Enumeration of possible stereo types of two-atom bonds.
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Modifier and Type | Method and Description |
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Iterable<IAtom> |
atoms()
Returns the Iterable to atoms making up this bond.
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boolean |
compare(Object object)
Compares a bond with this bond.
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boolean |
contains(IAtom atom)
Returns true if the given atom participates in this bond.
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javax.vecmath.Point2d |
get2DCenter()
Returns the geometric 2D center of the bond.
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javax.vecmath.Point3d |
get3DCenter()
Returns the geometric 3D center of the bond.
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IAtom |
getAtom(int position)
Returns an Atom from this bond.
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int |
getAtomCount()
Returns the number of Atoms in this Bond.
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IAtom |
getConnectedAtom(IAtom atom)
Returns the atom connected to the given atom.
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IAtom[] |
getConnectedAtoms(IAtom atom)
Returns all the atoms in the bond connected to the given atom.
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IBond.Order |
getOrder()
Returns the bond order of this bond.
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IBond.Stereo |
getStereo()
Returns the stereo descriptor for this bond.
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boolean |
isConnectedTo(IBond bond)
Checks whether a bond is connected to another one.
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void |
setAtom(IAtom atom,
int position)
Sets an Atom in this bond.
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void |
setAtoms(IAtom[] atoms)
Sets the array of atoms making up this bond.
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void |
setOrder(IBond.Order order)
Sets the bond order of this bond.
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void |
setStereo(IBond.Stereo stereo)
Sets the stereo descriptor for this bond.
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getElectronCount, setElectronCount
addListener, clone, getFlag, getFlags, getID, getListenerCount, getNotification, getProperties, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, toString
getBuilder
Iterable<IAtom> atoms()
setAtoms(org.openscience.cdk.interfaces.IAtom[])
void setAtoms(IAtom[] atoms)
atoms
- An array of atoms that forms this bondatoms()
int getAtomCount()
IAtom getAtom(int position)
position
- The position in this bond where the atom issetAtom(org.openscience.cdk.interfaces.IAtom, int)
IAtom getConnectedAtom(IAtom atom)
atom
- The atom the bond partner is searched ofIAtom[] getConnectedAtoms(IAtom atom)
atom
- The atoms the bond partner is searched ofboolean contains(IAtom atom)
atom
- The atom to be tested if it participates in this bondvoid setAtom(IAtom atom, int position)
atom
- The atom to be setposition
- The position in this bond where the atom is to be insertedgetAtom(int)
IBond.Order getOrder()
org.openscience.cdk.CDKConstants
for predefined values.
,
setOrder(org.openscience.cdk.interfaces.IBond.Order)
void setOrder(IBond.Order order)
order
- The bond order to be assigned to this bondfor predefined values.
,
getOrder()
IBond.Stereo getStereo()
setStereo(org.openscience.cdk.interfaces.IBond.Stereo)
void setStereo(IBond.Stereo stereo)
stereo
- The stereo descriptor to be assigned to this bond.getStereo()
javax.vecmath.Point2d get2DCenter()
javax.vecmath.Point3d get3DCenter()
boolean compare(Object object)
object
- Object of type Bondboolean isConnectedTo(IBond bond)
bond
- The bond which is checked to be connect with this one