Chemical Data Processing Library C++ API - Version 1.1.1
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The default functor for the generation of bond identifiers. More...
#include <CircularFingerprintGenerator.hpp>
Public Member Functions | |
DefBondIdentifierFunctor (unsigned int flags=DEF_BOND_PROPERTY_FLAGS) | |
Constructs the bond identifier functor object for the specified set of bond properties. More... | |
std::uint64_t | operator() (const Chem::Bond &bond) const |
Generates an identifier for the argument bond. More... | |
The default functor for the generation of bond identifiers.
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inline |
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:
flags | Specifies the set of considered bond properties. |
std::uint64_t CDPL::Descr::CircularFingerprintGenerator::DefBondIdentifierFunctor::operator() | ( | const Chem::Bond & | bond | ) | const |
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.
bond | The bond for which to generate the identifier. |