Gromacs
2025-dev-20241003-bd59e46
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#include <gromacs/topology/topology.h>
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. | |
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inline |
Number of atoms for which group numbers are stored for a single SimulationGroup.
[in] | group | The group type. |