Chemical Data Processing Library C++ API - Version 1.1.1
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The default functor for the generation of atom descriptors. More...
#include <PathFingerprintGenerator.hpp>
Public Member Functions | |
DefAtomDescriptorFunctor (unsigned int flags=DEF_ATOM_PROPERTY_FLAGS) | |
Constructs the atom descriptor functor object for the specified set of atomic properties. More... | |
std::uint64_t | operator() (const Chem::Atom &atom) const |
Generates a descriptor for the argument atom. More... | |
The default functor for the generation of atom descriptors.
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inline |
Constructs the atom descriptor 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:
flags | Specifies the set of considered atomic properties. |
std::uint64_t CDPL::Descr::PathFingerprintGenerator::DefAtomDescriptorFunctor::operator() | ( | const Chem::Atom & | atom | ) | const |
Generates a descriptor for the argument atom.
The generated descriptor depends on the set of considered atomic properties that has been specified in the constructor.
atom | The atom for which to generate the descriptor. |