#include <gromacs/topology/topology.h>

Description

Contains the simulation atom groups.

Organized as containers for the different SimulationAtomGroupTypes

Public Member Functions
int	numberOfGroupNumbers (SimulationAtomGroupType group) const
	Number of atoms for which group numbers are stored for a single SimulationGroup. More...

Public Attributes
gmx::EnumerationArray < SimulationAtomGroupType, AtomGroupIndices >	groups
	Group numbers for each of the different SimulationAtomGroupType groups.

std::vector< char ** >	groupNames
	Names of groups, stored as pointer to the entries in the symbol table.

gmx::EnumerationArray < SimulationAtomGroupType, std::vector< unsigned char > >	groupNumbers
	Indices into groups for each atom for each of the different SimulationAtomGroupType groups.

Member Function Documentation

int SimulationGroups::numberOfGroupNumbers ( SimulationAtomGroupType group ) const

inline

Number of atoms for which group numbers are stored for a single SimulationGroup.

Parameters

[in] group The group type.

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