Uses of Class
org.openscience.cdk.exception.NoSuchAtomException
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Packages that use NoSuchAtomException Package Description org.openscience.cdk.graph org.openscience.cdk.graph.invariant org.openscience.cdk.isomorphism -
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Uses of NoSuchAtomException in org.openscience.cdk.graph
Methods in org.openscience.cdk.graph that throw NoSuchAtomException Modifier and Type Method Description IRingSet
SpanningTree. getAllRings()
All basic rings and the all pairs of basic rings share at least one edge combined.IRingSet
SpanningTree. getBasicRings()
The basic rings of the spanning tree.IAtomContainer
SpanningTree. getPath(IAtomContainer spt, IAtom atom1, IAtom atom2)
Find a path connected a1 and a2 in the tree. -
Uses of NoSuchAtomException in org.openscience.cdk.graph.invariant
Methods in org.openscience.cdk.graph.invariant that throw NoSuchAtomException Modifier and Type Method Description static double
HuLuIndexTool. getEAIDNumber(IAtomContainer atomContainer)
Calculates the extended adjacency matrix index.int[]
EquivalentClassPartitioner. getTopoEquivClassbyHuXu(IAtomContainer atomContainer)
Get the topological equivalent class of the molecule. -
Uses of NoSuchAtomException in org.openscience.cdk.isomorphism
Constructors in org.openscience.cdk.isomorphism that throw NoSuchAtomException Constructor Description IsomorphismTester(IAtomContainer mol)
Constructor for the IsomorphismTester object
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