CDPL.Descr.CircularFingerprintGenerator.DefBondIdentifierFunctor Class Reference

The default functor for the generation of bond identifiers. More...

Inheritance diagram for CDPL.Descr.CircularFingerprintGenerator.DefBondIdentifierFunctor:

Public Member Functions
None	__init__ (int flags=10)
	Constructs the bond identifier functor object for the specified set of bond properties. More...
int	__call__ (Chem.Bond bond)
	Generates an identifier for the argument bond. More...

Detailed Description

The default functor for the generation of bond identifiers.

Constructor & Destructor Documentation

__init__()

None CDPL.Descr.CircularFingerprintGenerator.DefBondIdentifierFunctor.__init__

(

int

flags = 10

)

Constructs the bond identifier functor object for the specified set of bond properties.

The flags argument is an OR combination of the constants defined in namespace Chem.BondPropertyFlag.

Supported property flags are:

• Chem.BondPropertyFlag.ORDER
• Chem.BondPropertyFlag.TOPOLOGY
• Chem.BondPropertyFlag.AROMATICITY

Parameters

flags

Specifies the set of considered bond properties.

Member Function Documentation

__call__()

int CDPL.Descr.CircularFingerprintGenerator.DefBondIdentifierFunctor.__call__

(

Chem.Bond

bond

)

Generates an identifier for the argument bond.

The generated identifier depends on the set of considered bond properties that has been specified in the constructor.

Parameters

bond	The bond for which to generate the identifier.

Returns

The generated bond identifier.