@TestClass(value="org.openscience.cdk.pharmacophore.PharmacophoreBondTest") public class PharmacophoreBond extends Bond
PharmacophoreAtom
,
Serialized FormIBond.Order, IBond.Stereo
Constructor and Description |
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PharmacophoreBond(PharmacophoreAtom patom1,
PharmacophoreAtom patom2)
Create a pharmacophore distance constraint.
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Modifier and Type | Method and Description |
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double |
getBondLength()
Get the distance between the two 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 PharmacophoreBond(PharmacophoreAtom patom1, PharmacophoreAtom patom2)
patom1
- The first pharmacophore grouppatom2
- The second pharmacophore group@TestMethod(value="testGetBondLength") public double getBondLength()