OEHybridizationLevel

This namespace contains constants used by the class OETautomerOptions to store the level of carbon hybridization.

See also

• OETautomerOptions class

• OETautomerOptions::GetHybridizationLevel method

• OETautomerOptions::SetHybridizationLevel method

Default

The default value is OEHybridizationLevel::EnolEnamine.

Original

If carbon hybridization is set, then extensive carbon hybridization will take place.

DoubleBondNbr

If carbon hybridization is set, then only localized carbon hybridzation will take place, allowing generation of keto-enol tautomers without generating as many extreme tautomers as the default parameter.

EnolEnamine

If carbon hybridization is set, then local hybridization will take place to allow keto-enol and enol-enamine tautomerization while generating fewer tautomers than other options above.