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SimulationGroups Struct Reference

#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]groupThe group type.

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