Class PharmacophoreBond
- java.lang.Object
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- org.openscience.cdk.ChemObject
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- org.openscience.cdk.ElectronContainer
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- org.openscience.cdk.Bond
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- org.openscience.cdk.pharmacophore.PharmacophoreBond
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- All Implemented Interfaces:
Serializable
,Cloneable
,IBond
,ICDKObject
,IChemObject
,IElectronContainer
public class PharmacophoreBond extends Bond
Represents a distance relationship between two pharmacophore groups.- Author:
- Rajarshi Guha
- See Also:
PharmacophoreAtom
, Serialized Form- Source code:
- main
- Belongs to CDK module:
- pcore
- Keywords:
- pharmacophore, 3D isomorphism
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Nested Class Summary
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Nested classes/interfaces inherited from interface org.openscience.cdk.interfaces.IBond
IBond.Display, IBond.Order, IBond.Stereo
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Field Summary
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Fields inherited from class org.openscience.cdk.ElectronContainer
electronCount
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Constructor Summary
Constructors Constructor Description PharmacophoreBond(PharmacophoreAtom patom1, PharmacophoreAtom patom2)
Create a pharmacophore distance constraint.
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description static PharmacophoreBond
get(IBond bond)
double
getBondLength()
Get the distance between the two pharmacophore groups that make up the constraint.-
Methods inherited from class org.openscience.cdk.Bond
atoms, clone, compare, contains, equals, get2DCenter, get3DCenter, getAtom, getAtomCount, getBegin, getConnectedAtom, getConnectedAtoms, getContainer, getDisplay, getEnd, getIndex, getOrder, getOther, getStereo, hashCode, isAromatic, isConnectedTo, isInRing, setAtom, setAtoms, setDisplay, setIsAromatic, setIsInRing, setOrder, setStereo, toString
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Methods inherited from class org.openscience.cdk.ElectronContainer
getElectronCount, setElectronCount
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Methods inherited from class org.openscience.cdk.ChemObject
addListener, addProperties, getBuilder, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, shallowCopy
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Methods inherited from class java.lang.Object
finalize, getClass, notify, notifyAll, wait, wait, wait
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Methods inherited from interface org.openscience.cdk.interfaces.ICDKObject
getBuilder
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Methods inherited from interface org.openscience.cdk.interfaces.IChemObject
addListener, addProperties, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty
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Methods inherited from interface org.openscience.cdk.interfaces.IElectronContainer
getElectronCount, setElectronCount
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Constructor Detail
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PharmacophoreBond
public PharmacophoreBond(PharmacophoreAtom patom1, PharmacophoreAtom patom2)
Create a pharmacophore distance constraint.- Parameters:
patom1
- The first pharmacophore grouppatom2
- The second pharmacophore group
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Method Detail
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get
public static PharmacophoreBond get(IBond bond)
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getBondLength
public double getBondLength()
Get the distance between the two pharmacophore groups that make up the constraint.- Returns:
- The distance between the two groups
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