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 = new OEHBondInteractionHint(OEHBondInteractionHintType.LigandAccepts);
System.out.println("Calculated geometries for '" + hbondacc.GetName() + "' interaction type:");
for (String geom : oebio.OEGetCalculatedInteractionGeometries(hbondacc))
    System.out.println(geom);