Class for holding the indices of an atom within a MiniMol molecule class. More...
#include <minimol_utils.h>
Public Member Functions | |
MAtomIndex () | |
null constructor | |
MAtomIndex (const int &polymer, const int &monomer, const int &atom) | |
constructor: from polymer, monomer and atom numbers. | |
bool | is_null () const |
test if object has been initialised | |
const int & | polymer () const |
return polymer index | |
const int & | monomer () const |
return monomer index | |
const int & | atom () const |
return atom index | |
Friends | |
bool | operator< (MAtomIndex i1, MAtomIndex i2) |
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.