Rosetta  2020.37
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ScoreFunction.hh File Reference

Score function class. More...

#include <core/scoring/ScoreFunction.fwd.hh>
#include <map>
#include <string>
#include <core/pose/Pose.fwd.hh>
#include <core/id/DOF_ID.fwd.hh>
#include <core/id/AtomID.fwd.hh>
#include <core/id/TorsionID.fwd.hh>
#include <core/kinematics/DomainMap.fwd.hh>
#include <core/kinematics/MinimizerMapBase.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/conformation/RotamerSetBase.fwd.hh>
#include <core/pack_basic/RotamerSetsBase.fwd.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/EnergyGraph.fwd.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/ScoreFunctionInfo.fwd.hh>
#include <core/scoring/MinimizationGraph.fwd.hh>
#include <core/scoring/LREnergyContainer.fwd.hh>
#include <core/scoring/methods/EnergyMethod.fwd.hh>
#include <core/scoring/methods/EnergyMethodOptions.fwd.hh>
#include <core/scoring/methods/ContextIndependentLRTwoBodyEnergy.fwd.hh>
#include <core/scoring/methods/ContextDependentLRTwoBodyEnergy.fwd.hh>
#include <core/scoring/methods/ContextIndependentTwoBodyEnergy.fwd.hh>
#include <core/scoring/methods/ContextDependentTwoBodyEnergy.fwd.hh>
#include <core/scoring/methods/ContextIndependentOneBodyEnergy.fwd.hh>
#include <core/scoring/methods/ContextDependentOneBodyEnergy.fwd.hh>
#include <core/scoring/methods/LongRangeTwoBodyEnergy.fwd.hh>
#include <core/scoring/methods/TwoBodyEnergy.fwd.hh>
#include <core/scoring/methods/WholeStructureEnergy.fwd.hh>
#include <basic/datacache/BasicDataCache.fwd.hh>
#include <basic/citation_manager/CitationCollection.fwd.hh>
#include <basic/citation_manager/UnpublishedModuleInfo.fwd.hh>
#include <utility/VirtualBase.hh>
#include <utility/vector1.hh>
#include <utility/options/OptionCollection.fwd.hh>
#include <utility/options/keys/OptionKeyList.fwd.hh>
#include <ObjexxFCL/FArray2D.fwd.hh>

Classes

class  core::scoring::ScoreFunction
 This object defines a ScoreFunction, it contains methods for calculating the various scoring components (called ScoreType's) used in Rosetta. It also contains weights that are applied to each of those components. Only scoring components with non-zero weights are calculated. More...
 

Namespaces

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

Functions

std::ostream & core::scoring::operator<< (std::ostream &out, ScoreFunction const &sf)
 
ScoreFunctionOP core::scoring::deep_copy (ScoreFunction const &source)
 
std::string core::scoring::find_weights_file (std::string const &name, std::string const &extension)
 Utility function to locate a weights or patch file, either with a fully qualified path, in the local directory, or in the database. Names may be passed either with or without the optional extension. More...
 

Detailed Description

Score function class.

molecular mechanics torsion energy

molecular mechanics lj energy

Author
Phil Bradley
Phil Bradley
Christopher Miles (cmile.nosp@m.s@uw.nosp@m..edu)
P. Douglas Renfrew (renfr.nosp@m.ew@n.nosp@m.yu.ed.nosp@m.u)