OEGetCalculatedInteractionGeometriesΒΆ

OESystem::OEIterBase<const std::string>*
OEGetCalculatedInteractionGeometries(const OEInteractionHintTypeBase& itype)

Returns an iterator over the names of the geometries generated for the given interaction hint type.

Example:

OEHBondInteractionHint hbondacc(OEHBondInteractionHintType::LigandAccepts);
cout << "Calculated geometries for '" << hbondacc.GetName() << "' interaction type:" << endl;
for (OEIter<const string> gi = OEGetCalculatedInteractionGeometries(hbondacc); gi; ++gi)
  cout << *gi << endl;