Class for holding the indices of an atom within a MiniMol molecule class. More...
#include <minimol_utils.h>
Public Member Functions | |
MAtomIndexSymmetry () | |
null constructor | |
MAtomIndexSymmetry (const int &polymer, const int &monomer, const int &atom, const int &symm) | |
constructor: from polymer, monomer and atom numbers. | |
const int & | symmetry () const |
return symmetry index |
Class for holding the indices of an atom within a MiniMol molecule class.
The indices remain valid only while no changes are made to the MiniMol object. This class can also hold the number of a symmetry operator.