Chemical Data Processing Library C++ API - Version 1.1.1
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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... | |
The default functor for the generation of bond descriptors.
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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:
flags | Specifies the set of considered bond properties. |
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.
bond | The bond for which to generate the descriptor. |