Class PharmacophoreAngleBond
- 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.PharmacophoreAngleBond
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- All Implemented Interfaces:
Serializable
,Cloneable
,IBond
,ICDKObject
,IChemObject
,IElectronContainer
public class PharmacophoreAngleBond extends Bond
Represents an angle relationship between three 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 PharmacophoreAngleBond(PharmacophoreAtom patom1, PharmacophoreAtom patom2, PharmacophoreAtom patom3)
Create a pharmacophore distance constraint.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description double
getBondLength()
Get the angle between the three 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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PharmacophoreAngleBond
public PharmacophoreAngleBond(PharmacophoreAtom patom1, PharmacophoreAtom patom2, PharmacophoreAtom patom3)
Create a pharmacophore distance constraint.- Parameters:
patom1
- The first pharmacophore grouppatom2
- The second pharmacophore grouppatom3
- The third pharmacophore group
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