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BondedInteraction Struct Reference

#include <gromacs/gmxpreprocess/hackblock.h>

Description

Information about single bonded interaction.

Public Member Functions

const std::string & ai () const
 Get name of first atom in bonded interaction.
 
const std::string & aj () const
 Get name of second atom in bonded interaction..
 
const std::string & ak () const
 Get name of third atom in bonded interaction.
 
const std::string & al () const
 Get name of fourth atom in bonded interaction.
 
const std::string & am () const
 Get name of fifth atom in bonded interaction.
 

Public Attributes

std::array< std::string,
MAXATOMLIST > 
a
 Atom names in the bond.
 
std::string s
 Optional define string which gets copied from .rtp/.tdb to .top and will be parsed by cpp during grompp.
 
bool match = false
 Has the entry been found?
 

The documentation for this struct was generated from the following file: