CDPL::Descr::PathFingerprintGenerator::DefBondDescriptorFunctor Class Reference

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

#include <PathFingerprintGenerator.hpp>

Public Member Functions
	DefBondDescriptorFunctor (unsigned int flags=DEF_BOND_PROPERTY_FLAGS)
	Constructs the bond descriptor functor object for the specified set of bond properties. More...
std::uint64_t	operator() (const Chem::Bond &bond) const
	Generates a descriptor for the argument bond. More...

Detailed Description

The default functor for the generation of bond descriptors.

Constructor & Destructor Documentation

DefBondDescriptorFunctor()

CDPL::Descr::PathFingerprintGenerator::DefBondDescriptorFunctor::DefBondDescriptorFunctor ( unsigned int  flags = DEF_BOND_PROPERTY_FLAGS )

inline

Constructs the bond descriptor 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
• and Chem::BondPropertyFlag::AROMATICITY

Parameters

flags

Specifies the set of considered bond properties.

Member Function Documentation

operator()()

std::uint64_t CDPL::Descr::PathFingerprintGenerator::DefBondDescriptorFunctor::operator()

(

const Chem::Bond &

bond

)

const

Generates a descriptor for the argument bond.

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

Parameters

bond	The bond for which to generate the descriptor.

Returns

The generated bond descriptor.

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The documentation for this class was generated from the following file:

• PathFingerprintGenerator.hpp