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The Octet Molecular Representation Framework v0.8.2 | |||||||||
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java.lang.Objectnet.sf.octet.builder.AbstractRepresentationBuilder.BondingSystemTemplate
A template for the construction of represenation-specific bonding systems. Note that this class is not immutable; values returned may differ from those returned by previous or subsequent method invocations.
| Method Summary | |
boolean |
containsAtom(Atom atom)
Returns true if atom is shared by this BondingSystemTemplate. |
int |
countAtomPairs()
Returns the number of AtomPairs shared by this BondingSystemTemplate. |
int |
getAntibondingElectronCount()
Returns the number of antibonding electrons owned by this BondingSystemTemplate. |
AtomPair |
getAtomPair(int index)
Returns the AtomPair located at index. |
java.util.List |
getAtomPairs()
Returns an unmodifiable List containing the AtomPairs shared by this
BondingSystemTemplate. |
int |
getBondingElectronCount()
Returns the number of bonding electrons owned by this BondingSystemTemplate. |
| Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
| Method Detail |
public int countAtomPairs()
AtomPairs shared by this BondingSystemTemplate.
AtomPairs owned by this BondingSystemTemplatepublic AtomPair getAtomPair(int index)
AtomPair located at index.
index - the index to query
AtomPair located at indexpublic java.util.List getAtomPairs()
List containing the AtomPairs shared by this
BondingSystemTemplate.
List containing the AtomPairs shared by this
BondingSystemTemplatepublic int getBondingElectronCount()
BondingSystemTemplate.
BondingSystemTemplatepublic int getAntibondingElectronCount()
BondingSystemTemplate.
BondingSystemTemplatepublic boolean containsAtom(Atom atom)
true if atom is shared by this BondingSystemTemplate.
atom - the Atom to query
true if atom is shared by this BondingSystemTemplate
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The Octet Molecular Representation Framework v0.8.2 | |||||||||
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