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

#include <NonBondedInteractionsSectionParser.hpp>

Inheritance diagram for OpenMD::NonBondedInteractionsSectionParser:
OpenMD::SectionParser

Public Member Functions

 NonBondedInteractionsSectionParser (ForceFieldOptions &options)
 
- Public Member Functions inherited from OpenMD::SectionParser
virtual ~SectionParser ()
 
void parse (std::istream &input, ForceField &ff, int lineNo)
 
const std::string & getSectionName () const
 
virtual void validateSection ()
 

Private Types

enum  NonBondedInteractionTypeEnum {
  ShiftedMorse, LennardJones, RepulsiveMorse, RepulsivePower,
  Mie, MAW, Buckingham, EAMTable,
  EAMZhou, Unknown
}
 

Private Member Functions

void parseLine (ForceField &ff, const std::string &line, int lineNo)
 
NonBondedInteractionTypeEnum getNonBondedInteractionTypeEnum (const std::string &str)
 

Private Attributes

std::map< std::string, NonBondedInteractionTypeEnumstringToEnumMap_
 
ForceFieldOptionsoptions_
 
RealType meus_
 Metallic energy enit scaling. More...
 
RealType eus_
 Energy unit scaling. More...
 
RealType dus_
 Distance unit scaling. More...
 

Additional Inherited Members

- Protected Member Functions inherited from OpenMD::SectionParser
void setSectionName (const std::string &sectionName)
 

Detailed Description

Definition at line 51 of file NonBondedInteractionsSectionParser.hpp.

Member Enumeration Documentation

◆ NonBondedInteractionTypeEnum

Enumerator
ShiftedMorse 
LennardJones 
RepulsiveMorse 
RepulsivePower 
Mie 
MAW 
Buckingham 
EAMTable 
EAMZhou 
Unknown 

Definition at line 57 of file NonBondedInteractionsSectionParser.hpp.

Constructor & Destructor Documentation

◆ NonBondedInteractionsSectionParser()

OpenMD::NonBondedInteractionsSectionParser::NonBondedInteractionsSectionParser ( ForceFieldOptions options)

Member Function Documentation

◆ getNonBondedInteractionTypeEnum()

NonBondedInteractionsSectionParser::NonBondedInteractionTypeEnum OpenMD::NonBondedInteractionsSectionParser::getNonBondedInteractionTypeEnum ( const std::string &  str)
private

Definition at line 258 of file NonBondedInteractionsSectionParser.cpp.

References stringToEnumMap_, and Unknown.

Referenced by parseLine().

◆ parseLine()

Member Data Documentation

◆ dus_

RealType OpenMD::NonBondedInteractionsSectionParser::dus_
private

Distance unit scaling.

Definition at line 78 of file NonBondedInteractionsSectionParser.hpp.

Referenced by parseLine().

◆ eus_

RealType OpenMD::NonBondedInteractionsSectionParser::eus_
private

Energy unit scaling.

Definition at line 77 of file NonBondedInteractionsSectionParser.hpp.

Referenced by parseLine().

◆ meus_

RealType OpenMD::NonBondedInteractionsSectionParser::meus_
private

Metallic energy enit scaling.

Definition at line 76 of file NonBondedInteractionsSectionParser.hpp.

Referenced by parseLine().

◆ options_

ForceFieldOptions& OpenMD::NonBondedInteractionsSectionParser::options_
private

Definition at line 75 of file NonBondedInteractionsSectionParser.hpp.

Referenced by parseLine().

◆ stringToEnumMap_

std::map<std::string, NonBondedInteractionTypeEnum> OpenMD::NonBondedInteractionsSectionParser::stringToEnumMap_
private

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