core::scoring::mm::MMBondLengthLibrary Class Reference

#include <MMBondLengthLibrary.hh>

Inheritance diagram for core::scoring::mm::MMBondLengthLibrary:

Collaboration diagram for core::scoring::mm::MMBondLengthLibrary:

Public Member Functions
virtual	~MMBondLengthLibrary ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...
	MMBondLengthLibrary (std::string filename, core::chemical::MMAtomTypeSetCAP mm_atom_set)
	ctor More...
mm_bondlength_library_citer_pair	lookup (int atom1, int atom2) const
	lookup by atom type ints More...
mm_bondlength_library_citer_pair	lookup (std::string atom1, std::string atom2) const
	lookup by atom type strings More...
void	pretty_print () const
	pretty print / debug More...
void	pretty_print (int atom1, int atom2) const
void	pretty_print (std::string atom1, std::string atom2) const

Private Attributes
mm_bondlength_library	mm_bondlength_library_
	library containing all bond-length params More...
core::chemical::MMAtomTypeSetCAP	mm_atom_set_

Detailed Description

Definition at line 43 of file MMBondLengthLibrary.hh.

Constructor & Destructor Documentation

core::scoring::mm::MMBondLengthLibrary::~MMBondLengthLibrary ( )

virtual

Automatically generated virtual destructor for class deriving directly from ReferenceCount.

Auto-generated virtual destructor

Definition at line 53 of file MMBondLengthLibrary.cc.

core::scoring::mm::MMBondLengthLibrary::MMBondLengthLibrary	(	std::string	filename,
		core::chemical::MMAtomTypeSetCAP	mm_atom_set
	)

ctor

Construct a MMBondLengthLibrary instant from a filename string and constant access pointer to an MMAtomTypeSet

Definition at line 62 of file MMBondLengthLibrary.cc.

References mm_atom_set_, mm_bondlength_library_, and core::scoring::mm::TR().

Member Function Documentation

mm_bondlength_library_citer_pair core::scoring::mm::MMBondLengthLibrary::lookup	(	int	atom1,
		int	atom2
	)		const

lookup by atom type ints

Definition at line 122 of file MMBondLengthLibrary.cc.

References mm_atom_set_, mm_bondlength_library_, and core::scoring::mm::TR().

Referenced by core::scoring::mm::MMBondLengthScore::dscore(), pretty_print(), and core::scoring::mm::MMBondLengthScore::score().

mm_bondlength_library_citer_pair core::scoring::mm::MMBondLengthLibrary::lookup	(	std::string	atom1,
		std::string	atom2
	)		const

lookup by atom type strings

Definition at line 147 of file MMBondLengthLibrary.cc.

References mm_atom_set_.

void core::scoring::mm::MMBondLengthLibrary::pretty_print

(

)

const

pretty print / debug

Definition at line 154 of file MMBondLengthLibrary.cc.

References mm_bondlength_library_, and core::scoring::mm::TR().

void core::scoring::mm::MMBondLengthLibrary::pretty_print	(	int	atom1,
		int	atom2
	)		const

Definition at line 167 of file MMBondLengthLibrary.cc.

References lookup(), and core::scoring::mm::TR().

void core::scoring::mm::MMBondLengthLibrary::pretty_print	(	std::string	atom1,
		std::string	atom2
	)		const

Definition at line 179 of file MMBondLengthLibrary.cc.

References lookup(), and core::scoring::mm::TR().

Member Data Documentation

core::chemical::MMAtomTypeSetCAP core::scoring::mm::MMBondLengthLibrary::mm_atom_set_

private

Definition at line 70 of file MMBondLengthLibrary.hh.

Referenced by lookup(), and MMBondLengthLibrary().

mm_bondlength_library core::scoring::mm::MMBondLengthLibrary::mm_bondlength_library_

private

library containing all bond-length params

Definition at line 68 of file MMBondLengthLibrary.hh.

Referenced by lookup(), MMBondLengthLibrary(), and pretty_print().

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

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