OEMolPropertyFxn

class OEMolPropertyFxn

The OEMolPropertyFxn is an abstract base class. This class defines the interface for functions which can be used to access molecule properties defined as SDF file data fields or generic data in a molecule.

The following classes derive from this class:

• OEMolGDPropertyFxn

• OEMolSDPropertyFxn

• OEMolTaggedPropertyFxn

CreateCopy

OEMolPropertyFxn *CreateCopy() const =0

A virtual constructor which allows copying of concrete derived objects using a reference to this base class.

Get

double Get(const OEChem::OEMolBase &mol) const =0
double Get(const OEChem::OEMCMolBase &mol) const =0

Returns the property value for the specified molecule. Method returns a large number (limiting large double in C++) when a value is not found.

Has

bool Has(const OEChem::OEMolBase &mol) const =0
bool Has(const OEChem::OEMCMolBase &mol) const =0

Checks if the property value exists for the specified molecule. Returns True if a value exists.