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Gromacs
2026.0-dev-20251107-70abc26
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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. | |
1.8.5