/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2010 University of Bonn. All rights reserved. * Please see the LICENSE file or "Copyright notice" in builder.cpp for details. */ /** * \file bondgraph.dox * * Created on: Oct 28, 2011 * Author: heber */ /** \page bondgraph BondGraph * * The BondGraph class contains the knowledge of when two atoms are bonded and * when not. At this moment it either uses a sum of covalent bond radii or an * externally given bond table that gives typical bond lengths per element. * * The BondGraph's main working horse is the BondGraph::CreateAdjacency() * function. It is strongly connected to the following graph actions: * - GraphCreateAdjacencyAction * - GraphSubgraphDissectionAction * * Therein, the bond structure is recognized again from scratch or/and the * molecules afterwards represent disconnected subgraphs. * * In terms of graph theory the bond graph is an undirected graph with the * bond degree as its weight. Bonds are respresented by edges, the atoms * represent nodes. * * * \date 2011-10-31 * */