@TestClass(value="org.openscience.cdk.pharmacophore.PharmacophoreAngleBondTest") public class PharmacophoreAngleBond extends Bond
PharmacophoreAtom
,
Serialized FormIBond.Order, IBond.Stereo
Constructor and Description |
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PharmacophoreAngleBond(PharmacophoreAtom patom1,
PharmacophoreAtom patom2,
PharmacophoreAtom patom3)
Create a pharmacophore distance constraint.
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Modifier and Type | Method and Description |
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double |
getBondLength()
Get the angle between the three pharmacophore groups that make up the constraint.
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atoms, clone, compare, contains, get2DCenter, get3DCenter, getAtom, getAtomCount, getConnectedAtom, getConnectedAtoms, getOrder, getStereo, isConnectedTo, setAtom, setAtoms, setOrder, setStereo, toString
getElectronCount, setElectronCount
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
getElectronCount, setElectronCount
addListener, getFlag, getFlags, getID, getListenerCount, getNotification, getProperties, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty
getBuilder
public PharmacophoreAngleBond(PharmacophoreAtom patom1, PharmacophoreAtom patom2, PharmacophoreAtom patom3)
patom1
- The first pharmacophore grouppatom2
- The second pharmacophore grouppatom3
- The third pharmacophore group@TestMethod(value="testGetAngle1,testGetAngle2,testGetAngle3,testGetAngle4,testGetAngle5") public double getBondLength()