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gmx_moltype_t Struct Reference

#include <gromacs/topology/topology.h>

Description

Molecules type data: atoms, interactions and exclusions.

Public Member Functions

gmx_moltype_toperator= (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.
 
t_block cgs
 The charge groups.
 
t_blocka excls
 The exclusions.
 

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