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MoleculePatchDatabase Struct Reference

#include <gromacs/gmxpreprocess/hackblock.h>

+ Collaboration diagram for MoleculePatchDatabase:

Description

A set of modifications to apply to atoms.

Public Member Functions

int nhack () const
 Number of atoms to modify.
 

Public Attributes

std::string name
 Name of block.
 
std::string filebase
 File that entry was read from.
 
std::vector< MoleculePatchhack
 List of changes to atoms.
 
gmx::EnumerationArray
< BondedTypes,
BondedInteractionList
rb
 List of bonded interactions to potentially add.
 

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