Gromacs
2025.0-dev-20241009-5c23d5f
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#include <gromacs/topology/topology.h>
Molecules type data: atoms, interactions and exclusions.
Public Member Functions | |
gmx_moltype_t & | operator= (const gmx_moltype_t &)=delete |
Deleted copy assignment operator to avoid (not) freeing pointers. | |
gmx_moltype_t (const gmx_moltype_t &)=default | |
Default copy constructor. | |
Public Attributes | |
char ** | name |
Name of the molecule type. | |
t_atoms | atoms |
The atoms in this molecule. | |
InteractionLists | ilist |
Interaction list with local indices. | |
gmx::ListOfLists< int > | excls |
The exclusions. | |