Package org.openscience.cdk.graph
package org.openscience.cdk.graph
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ClassDescriptionCompute all simple cycles (rings) in a graph.Utility to determine the shortest paths between all pairs of atoms in a molecule.Compute the connected components of an adjacency list.Defines a method to find the cycles of a molecule.A utility class for storing and computing the cycles of a chemical graph.Determine the uniquely defined essential cycles of a graph.Collection of static utilities for manipulating adjacency list representations stored as a int[][].Utility for storing
IBond
s indexed by vertex end points.Compute the minimum cycle basis (MCB) of a graph.Tools class with methods for handling molecular graphs.Compute the relevant cycles (CR) of a graph.Find and reconstruct the shortest paths from a given start atom to any other connected atom.Spanning tree of a molecule.Compute the shortest cycles through each vertex triple.