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/CitationCollectionBase.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)