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OutputType | getBitId (FingerprintArguments *arguments, const std::vector< std::uint32_t > *atomInvariants, const std::vector< std::uint32_t > *bondInvariants, AdditionalOutput *additionalOutput, const bool hashResults=false, const std::uint64_t fpSize=0) const override |
| calculates and returns the bit id to be set for this atom-environment More...
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void | updateAdditionalOutput (AdditionalOutput *output, size_t bitId) const override |
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| TopologicalTorsionAtomEnv (OutputType bitId, INT_VECT atomPath) |
| Construct a new Topological Torsion Atom Env object. More...
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virtual OutputType | getBitId (FingerprintArguments *arguments, const std::vector< std::uint32_t > *atomInvariants, const std::vector< std::uint32_t > *bondInvariants, AdditionalOutput *AdditionalOutput, const bool hashResults=false, const std::uint64_t fpSize=0) const =0 |
| calculates and returns the bit id to be set for this atom-environment More...
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virtual void | updateAdditionalOutput (AdditionalOutput *AdditionalOutput, size_t bitId) const =0 |
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virtual | ~AtomEnvironment () |
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template<typename OutputType>
class RDKit::TopologicalTorsion::TopologicalTorsionAtomEnv< OutputType >
Definition at line 49 of file TopologicalTorsionGenerator.h.