class OECombineChargeEngines : public OEChargeEngineBase
Charge engine input to
that combines two user-specified charge engines into one. This is useful
when the first charge engine is used to pre-charge a molecule and the second
to adjust the charges. This allows more complicated charging schemes
to be easily constructed.
The input molecule must conform to the requirements of the specified charge engines.
The following methods are publicly inherited from OEChargeEngineBase:
OECombineChargeEngines(const OECombineChargeEngines &rhs) OECombineChargeEngines(const OEChargeEngineBase &preChargeEngine, const OEChargeEngineBase &adjustmentEngine)
preChargeEngine is expected to set initial charges
adjustmentEngine is expected to modify those charges.