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Public Member Functions | Private Attributes | List of all members
core::scoring::mm::MMBondLengthLibrary Class Reference

#include <MMBondLengthLibrary.hh>

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

Public Member Functions

 ~MMBondLengthLibrary () override
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 MMBondLengthLibrary (std::string filename, core::chemical::MMAtomTypeSetCOP mm_atom_set, utility::vector1< std::string > extra_mm_param_dirs=utility::vector1< std::string >())
 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_

Constructor & Destructor Documentation

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

Automatically generated virtual destructor for class deriving directly from VirtualBase.

Auto-generated virtual destructor

core::scoring::mm::MMBondLengthLibrary::MMBondLengthLibrary ( std::string  filename,
core::chemical::MMAtomTypeSetCOP  mm_atom_set,
utility::vector1< std::string >  extra_mm_params_dirs = utility::vector1< std::string > () 


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

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

lookup by atom type strings

References mm_atom_set_.

void core::scoring::mm::MMBondLengthLibrary::pretty_print ( ) const

pretty print / debug

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

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

Member Data Documentation

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

Referenced by lookup(), and MMBondLengthLibrary().

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

library containing all bond-length params

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

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