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EnergyGraph.hh File Reference

Energy graph class declaration. More...

#include <core/scoring/EnergyGraph.fwd.hh>
#include <core/scoring/EnergyMap.hh>
#include <utility/graph/Graph.hh>
#include <utility/graph/ArrayPool.hh>
#include <core/scoring/ScoreType.hh>
#include <utility/VirtualBase.hh>
#include <utility/vector1.hh>


class  core::scoring::EnergyNode
class  core::scoring::EnergyEdge
class  core::scoring::EnergyGraph
 Class to hold the component energies between pairs of residues. Each node represents a residue in its corresponding structure. Each edge in the graph holds a two-body energy map representing the unweighted components of the energy function for those terms with non-zero weight. The EnergyGraph may be accessed from the pose's Energies object, but at a price of an extra score evaluation. This second score evaluation may be avoided if you use the ScoreFunction::score_components( pose ) method. More...


 A class for reading in the atom type properties.

Detailed Description

Energy graph class declaration.

Andrew Leaver-Fay (