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DensePDInteractionGraph.hh File Reference

Dense Edge-Matrix, Pairwise Decomposable interaction graph class header This graph does not take advantage of the memory-saving AANeighborSparseMatrix for the storage of RPEs (rotamer pair energies); for this reason it's a little bit faster and weights a little less than the PDInteractionGraph for fixed-sequence repackings – memory becomes a significant issue for design simulations, and this graph should not be used for that purpose. More...

#include <core/pack/interaction_graph/DensePDInteractionGraph.fwd.hh>
#include <core/pack/interaction_graph/InteractionGraphBase.hh>
#include <core/pack/interaction_graph/PrecomputedPairEnergiesInteractionGraph.hh>
#include <list>
#include <ObjexxFCL/FArray1D.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <ObjexxFCL/FArray2A.hh>

Classes

class  core::pack::interaction_graph::DensePDNode
 
class  core::pack::interaction_graph::DensePDEdge
 
class  core::pack::interaction_graph::DensePDInteractionGraph
 

Namespaces

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

Detailed Description

Dense Edge-Matrix, Pairwise Decomposable interaction graph class header This graph does not take advantage of the memory-saving AANeighborSparseMatrix for the storage of RPEs (rotamer pair energies); for this reason it's a little bit faster and weights a little less than the PDInteractionGraph for fixed-sequence repackings – memory becomes a significant issue for design simulations, and this graph should not be used for that purpose.

Author
Andrew Leaver-Fay (aleav.nosp@m.erfa.nosp@m.y@gma.nosp@m.il.c.nosp@m.om)