OEFlexiOverlapResults

class OEFlexiOverlapResults : public OEShape::OEOverlapResults

This class extends the OEOverlapResults to represent the results of OEFlexiOverlapFunc calculation.

See also

The following methods are publicly inherited from OEOverlapResults:
The OEFlexiOverlapResults class defines the following public method:

Constructor

OEFlexiOverlapResults();
OEFlexiOverlapResults(const OEFlexiOverlapResults&)

Default and copy constructors.

operator=

OEFlexiOverlapResults &operator=(const OEFlexiOverlapResults&)

GetInternalEnergy

double GetInternalEnergy() const

Returns the computed internal energy of the conformer.