schrodinger.structure.atom_numbering_monitor module¶
- schrodinger.structure.atom_numbering_monitor.MonitorAtomNumbering(st: schrodinger.structure._structure.Structure)¶
Watch atom renumbering within a context:
with MonitorAtomNumbering(st) as renumber_map: # do # some # horrible manipulations in c, c++, or Python # now the renumber_map will be filled in.