CDPL::Chem::HashCodeCalculator::DefAtomHashSeedFunctor Class Reference

The default functor for the generation of atom hash seeds. More...

#include <HashCodeCalculator.hpp>

Public Member Functions
	DefAtomHashSeedFunctor (const HashCodeCalculator &calculator, unsigned int flags=DEF_ATOM_PROPERTY_FLAGS)
	Constructs the atom hash seed functor object for the specified set of atomic properties. More...
std::uint64_t	operator() (const Atom &atom) const
	Generates an initial hash code value (seed) for the specified atom. More...

Detailed Description

The default functor for the generation of atom hash seeds.

Constructor & Destructor Documentation

DefAtomHashSeedFunctor()

CDPL::Chem::HashCodeCalculator::DefAtomHashSeedFunctor::DefAtomHashSeedFunctor ( const HashCodeCalculator &  calculator, unsigned int  flags = DEF_ATOM_PROPERTY_FLAGS  )

inline

Constructs the atom hash seed functor object for the specified set of atomic properties.

The flags argument is an OR combination of the constants defined in namespace Chem::AtomPropertyFlag. Supported property flags are:

• Chem::AtomPropertyFlag::TYPE
• Chem::AtomPropertyFlag::ISOTOPE
• Chem::AtomPropertyFlag::H_COUNT
• Chem::AtomPropertyFlag::FORMAL_CHARGE
• Chem::AtomPropertyFlag::AROMATICITY
• and Chem::AtomPropertyFlag::CIP_CONFIGURATION

Parameters

calculator	The HashCodeCalculator instance that 'owns' the functor object.
flags	Specifies the set of considered atomic properties.

Member Function Documentation

operator()()

std::uint64_t CDPL::Chem::HashCodeCalculator::DefAtomHashSeedFunctor::operator()

(

const Atom &

atom

)

const

Generates an initial hash code value (seed) for the specified atom.

The generated hash seed depends on the set of considered atomic properties that has been specified in the constructor.

Parameters

atom	The atom for which to generate the initial hash code.

Returns

The generated atom hash seed.

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

• HashCodeCalculator.hpp