IdentifiedCompound Member List

This is the complete list of members for IdentifiedCompound, including all inherited members.

addMetaValues(const MetaInfoInterface &from)	MetaInfoInterface
addProcessingStep(const AppliedProcessingStep &step)	ScoredProcessingResult	inline
addProcessingStep(ProcessingStepRef step_ref, const std::map< ScoreTypeRef, double > &scores=std::map< ScoreTypeRef, double >())	ScoredProcessingResult	inline
addScore(ScoreTypeRef score_type, double score, const std::optional< ProcessingStepRef > &processing_step_opt=std::nullopt)	ScoredProcessingResult	inline
clearMetaInfo()	MetaInfoInterface
createIfNotExists_()	MetaInfoInterface	inlineprotected
formula	IdentifiedCompound
getKeys(std::vector< String > &keys) const	MetaInfoInterface
getKeys(std::vector< UInt > &keys) const	MetaInfoInterface
getMetaValue(const String &name, const DataValue &default_value=DataValue::EMPTY) const	MetaInfoInterface
getMetaValue(UInt index, const DataValue &default_value=DataValue::EMPTY) const	MetaInfoInterface
getMostRecentScore() const	ScoredProcessingResult	inline
getNumberOfScores() const	ScoredProcessingResult	inline
getScore(ScoreTypeRef score_ref) const	ScoredProcessingResult	inline
getScore(ScoreTypeRef score_ref, std::optional< ProcessingStepRef > processing_step_opt) const	ScoredProcessingResult	inline
getScoreAndStep(ScoreTypeRef score_ref) const	ScoredProcessingResult	inline
getStepsAndScoresByStep()	ScoredProcessingResult	inline
getStepsAndScoresByStep() const	ScoredProcessingResult	inline
IdentifiedCompound(const String &identifier, const EmpiricalFormula &formula=EmpiricalFormula(), const String &name="", const String &smile="", const String &inchi="", const AppliedProcessingSteps &steps_and_scores=AppliedProcessingSteps())	IdentifiedCompound	inlineexplicit
IdentifiedCompound(const IdentifiedCompound &other)=default	IdentifiedCompound
identifier	IdentifiedCompound
inchi	IdentifiedCompound
isMetaEmpty() const	MetaInfoInterface
merge(const ScoredProcessingResult &other)	ScoredProcessingResult	inline
meta_	MetaInfoInterface	protected
MetaInfoInterface()	MetaInfoInterface
MetaInfoInterface(const MetaInfoInterface &rhs)	MetaInfoInterface
MetaInfoInterface(MetaInfoInterface &&) noexcept	MetaInfoInterface
metaRegistry()	MetaInfoInterface	static
metaValueExists(const String &name) const	MetaInfoInterface
metaValueExists(UInt index) const	MetaInfoInterface
name	IdentifiedCompound
operator!=(const MetaInfoInterface &rhs) const	MetaInfoInterface
operator=(const MetaInfoInterface &rhs)	MetaInfoInterface
operator=(MetaInfoInterface &&) noexcept	MetaInfoInterface
operator==(const MetaInfoInterface &rhs) const	MetaInfoInterface
removeMetaValue(const String &name)	MetaInfoInterface
removeMetaValue(UInt index)	MetaInfoInterface
ScoredProcessingResult(const AppliedProcessingSteps &steps_and_scores=AppliedProcessingSteps())	ScoredProcessingResult	inlineexplicitprotected
ScoredProcessingResult(const ScoredProcessingResult &)=default	ScoredProcessingResult	protected
setMetaValue(const String &name, const DataValue &value)	MetaInfoInterface
setMetaValue(UInt index, const DataValue &value)	MetaInfoInterface
smile	IdentifiedCompound
steps_and_scores	ScoredProcessingResult
swap(MetaInfoInterface &rhs)	MetaInfoInterface
~MetaInfoInterface()	MetaInfoInterface