core::scoring::mm::MMBondLengthScore Class Reference

#include <MMBondLengthScore.hh>

Inheritance diagram for core::scoring::mm::MMBondLengthScore:

Collaboration diagram for core::scoring::mm::MMBondLengthScore:

Public Member Functions
virtual	~MMBondLengthScore ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...
	MMBondLengthScore ()
	MMBondLengthScore (MMBondLengthLibrary const &mmtl)
Real	score (Real Kb, Real b0, Real d) const
Real	score (mm_bondlength_atom_pair mm_atomtype_set, Real d) const
Real	dscore (Real Kb, Real b0, Real d) const
Real	dscore (mm_bondlength_atom_pair bondlength_atom_set, Real d) const

Private Attributes
MMBondLengthLibrary const &	mm_bondlength_library_
	Local MMBondLengthLibrary for looking up bond angle parameters. More...

Detailed Description

Definition at line 41 of file MMBondLengthScore.hh.

Constructor & Destructor Documentation

core::scoring::mm::MMBondLengthScore::~MMBondLengthScore ( )

virtual

Automatically generated virtual destructor for class deriving directly from ReferenceCount.

Auto-generated virtual destructor

Definition at line 42 of file MMBondLengthScore.cc.

core::scoring::mm::MMBondLengthScore::MMBondLengthScore

(

)

Definition at line 45 of file MMBondLengthScore.cc.

core::scoring::mm::MMBondLengthScore::MMBondLengthScore

(

MMBondLengthLibrary const &

mmtl)

Definition at line 49 of file MMBondLengthScore.cc.

Member Function Documentation

Real core::scoring::mm::MMBondLengthScore::dscore	(	Real	Kb,
		Real	b0,
		Real	d
	)		const

dscore takes Kb, b0, and a distance; returns an energy derivative.

Definition at line 82 of file MMBondLengthScore.cc.

Referenced by dscore().

Real core::scoring::mm::MMBondLengthScore::dscore	(	mm_bondlength_atom_pair	bondlength_atom_set,
		Real	d
	)		const

Definition at line 86 of file MMBondLengthScore.cc.

References dscore(), core::scoring::mm::MMBondLengthLibrary::lookup(), mm_bondlength_library_, and core::scoring::pair.

Real core::scoring::mm::MMBondLengthScore::score	(	Real	Kb,
		Real	b0,
		Real	d
	)		const

dscore takes Kb, b0, and a distance; returns an energy.

Definition at line 56 of file MMBondLengthScore.cc.

Referenced by score().

Real core::scoring::mm::MMBondLengthScore::score	(	mm_bondlength_atom_pair	mm_atomtype_set,
		Real	d
	)		const

Score take a set of 2 mm atom types in the form of an mm_bondlength_pair and a distance in Ang, and returns the energy.

Definition at line 64 of file MMBondLengthScore.cc.

References core::scoring::mm::MMBondLengthLibrary::lookup(), mm_bondlength_library_, core::scoring::pair, and score().

Member Data Documentation

MMBondLengthLibrary const& core::scoring::mm::MMBondLengthScore::mm_bondlength_library_

private

Local MMBondLengthLibrary for looking up bond angle parameters.

Definition at line 59 of file MMBondLengthScore.hh.

Referenced by dscore(), and score().

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The documentation for this class was generated from the following files:

• src/core/scoring/mm/MMBondLengthScore.hh
• src/core/scoring/mm/MMBondLengthScore.cc