29 #ifndef CDPL_PHARM_FEATURESETFUNCTIONS_HPP
30 #define CDPL_PHARM_FEATURESETFUNCTIONS_HPP
Definition of the type CDPL::Pharm::FeatureMapping.
Definition of the preprocessor macro CDPL_PHARM_API.
#define CDPL_PHARM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Data type for the storage and lookup of arbitrary feature to feature mappings.
Definition: FeatureMapping.hpp:54
Concrete Pharm::FeatureContainer implementation that stores references to existing Pharm::Feature ins...
Definition: FeatureSet.hpp:56
CDPL_PHARM_API bool removePositionalDuplicates(const FeatureContainer &cntnr, FeatureSet &tgt_set, double pos_tol=0.0, bool append=false)
Copies the features in cntnr into tgt_set, suppressing features that share both type and 3D position ...
CDPL_PHARM_API void getFeatures(FeatureSet &ftr_set, const FeatureMapping &mapping, bool first)
Extracts features from mapping into ftr_set.
CDPL_PHARM_API bool removeFeaturesWithType(const FeatureContainer &cntnr, FeatureSet &tgt_set, unsigned int type, bool append=false)
Copies the features in cntnr into tgt_set, skipping every feature whose Pharm::FeatureType matches ty...
The namespace of the Chemical Data Processing Library.