Gromacs
2024.4
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#include <gromacs/topology/include/gromacs/topology/mtop_atomloops.h>
Proxy object returned from AtomIterator.
Public Member Functions | |
AtomProxy (const AtomIterator *it) | |
Default constructor. | |
int | globalAtomNumber () const |
Access current global atom number. | |
const t_atom & | atom () const |
Access current t_atom struct. | |
const char * | atomName () const |
Access current name of the atom. | |
const char * | residueName () const |
Access current name of the residue the atom is in. | |
int | residueNumber () const |
Access current residue number. | |
const gmx_moltype_t & | moleculeType () const |
Access current molecule type. | |
int | atomNumberInMol () const |
Access the position of the current atom in the molecule. | |