OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::BondTypeParser Class Reference

#include "types/BondTypeParser.hpp"

Public Member Functions

 BondTypeParser ()
 
BondTypeparseLine (const std::string &line, RealType kScale)
 
BondTypeparseTypeAndPars (const std::string &type, std::vector< RealType > pars)
 

Private Types

enum  BondTypeEnum {
  btFixed, btHarmonic, btCubic, btQuartic,
  btPolynomial, btMorse, btShiftedMie, btUnknown
}
 

Private Member Functions

BondTypeEnum getBondTypeEnum (const std::string &str)
 

Private Attributes

std::map< std::string, BondTypeEnumstringToEnumMap_
 

Detailed Description

Definition at line 56 of file BondTypeParser.hpp.

Member Enumeration Documentation

◆ BondTypeEnum

Enumerator
btFixed 
btHarmonic 
btCubic 
btQuartic 
btPolynomial 
btMorse 
btShiftedMie 
btUnknown 

Definition at line 65 of file BondTypeParser.hpp.

Constructor & Destructor Documentation

◆ BondTypeParser()

OpenMD::BondTypeParser::BondTypeParser ( )

Member Function Documentation

◆ getBondTypeEnum()

BondTypeParser::BondTypeEnum OpenMD::BondTypeParser::getBondTypeEnum ( const std::string &  str)
private

Definition at line 203 of file BondTypeParser.cpp.

References btUnknown, and stringToEnumMap_.

Referenced by parseLine().

◆ parseLine()

◆ parseTypeAndPars()

BondType * OpenMD::BondTypeParser::parseTypeAndPars ( const std::string &  type,
std::vector< RealType >  pars 
)

Definition at line 67 of file BondTypeParser.cpp.

References parseLine(), and OpenMD::to_string().

Referenced by OpenMD::MoleculeCreator::createBond().

Member Data Documentation

◆ stringToEnumMap_

std::map<std::string, BondTypeEnum> OpenMD::BondTypeParser::stringToEnumMap_
private

Definition at line 77 of file BondTypeParser.hpp.

Referenced by BondTypeParser(), and getBondTypeEnum().


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