Rosetta  2021.16
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Classes | Namespaces
HBondGraphInitializerIG.hh File Reference

Dervied class of PDInteractionGraph that does not save twobody energy calculations but rather passes them directly to a HBondGraph. More...

#include <core/conformation/symmetry/SymmetryInfo.fwd.hh>
#include <core/pack/hbonds/HBondGraphInitializerIG.fwd.hh>
#include <core/pack/interaction_graph/InteractionGraphBase.fwd.hh>
#include <core/pack/interaction_graph/PDInteractionGraph.hh>
#include <core/pack/rotamer_set/RotamerSets.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/hbonds/graph/HBondGraph.hh>
#include <utility/VirtualBase.hh>
#include <boost/functional/hash.hpp>
#include <unordered_map>

Classes

class  core::pack::hbonds::BareMinimumPDEdge
 
class  core::pack::hbonds::HBondGraphInitializerIG
 

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::pack
 
 core::pack::hbonds
 

Detailed Description

Dervied class of PDInteractionGraph that does not save twobody energy calculations but rather passes them directly to a HBondGraph.

This is a HBondGraph creator that is wearing an InteractionGraph disguise so that monte carlo HBNet can collect energy information without having to create custom interfaces in many other classes. This class should not be used as an InteractionGraph because it does not store all of the information that InteractionGraphs need to store. There are a few utility_exit_with_message() calls sprinkled within this class to make sure it is not being misused, but there really is not any need to use it for anything other than HBondGraph creation.

Author
Jack Maguire, jackm.nosp@m.agui.nosp@m.re144.nosp@m.4@gm.nosp@m.ail.c.nosp@m.om