#include <RDKitFPGenerator.h>
template<typename OutputType>
class RDKit::RDKitFP::RDKitFPAtomEnv< OutputType >
Definition at line 67 of file RDKitFPGenerator.h.
◆ RDKitFPAtomEnv()
template<typename OutputType >
Construct a new RDKitFPAtomEnv object.
- Parameters
-
bitId | bitId generated for this environment |
atomsInPath | holds atoms in this environment to set additional output |
bondPath | the bond path defining the environment |
Definition at line 93 of file RDKitFPGenerator.h.
◆ getBitId()
template<typename OutputType >
calculates and returns the bit id to be set for this atom-environment
- Parameters
-
arguments | Fingerprinting type specific molecule independent arguments |
atomInvariants | Atom-invariants to be used during hashing |
bondInvariants | Bond-invariants to be used during hashing |
hashResults | if set results will be ready to be modded |
- Returns
- OutputType calculated bit id for this environment
Implements RDKit::AtomEnvironment< OutputType >.
◆ updateAdditionalOutput()
template<typename OutputType >
The documentation for this class was generated from the following file: