FeatureContainerFunctions.hpp File Reference

Declaration of functions that operate on Pharm::FeatureContainer instances. More...

#include <cstddef>
#include <string>
#include "CDPL/Pharm/APIPrefix.hpp"
#include "CDPL/Chem/Atom3DCoordinatesFunction.hpp"
#include "CDPL/Math/Matrix.hpp"

Go to the source code of this file.

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.
	CDPL::Pharm
	Contains classes and functions related to pharmacophore perception and pharmacophore applications.

Functions
CDPL_PHARM_API const std::string &	CDPL::Pharm::getName (const FeatureContainer &cntnr)
CDPL_PHARM_API void	CDPL::Pharm::setName (FeatureContainer &cntnr, const std::string &name)
CDPL_PHARM_API void	CDPL::Pharm::clearName (FeatureContainer &cntnr)
CDPL_PHARM_API bool	CDPL::Pharm::hasName (const FeatureContainer &cntnr)
CDPL_PHARM_API std::size_t	CDPL::Pharm::getFeatureCount (const FeatureContainer &cntnr)
CDPL_PHARM_API std::size_t	CDPL::Pharm::getFeatureCount (const FeatureContainer &cntnr, unsigned int type)
CDPL_PHARM_API void	CDPL::Pharm::generateFeatureTypeHistogram (const FeatureContainer &cntnr, FeatureTypeHistogram &hist, bool append=false)
CDPL_PHARM_API void	CDPL::Pharm::generateFeatureTypeHistogramString (const FeatureContainer &cntnr, std::string &histo_str)
CDPL_PHARM_API void	CDPL::Pharm::transform3DCoordinates (FeatureContainer &cntnr, const Math::Matrix4D &mtx)
CDPL_PHARM_API bool	CDPL::Pharm::checkForExclusionVolumeClashes (const FeatureContainer &ftr_cntnr, const Chem::AtomContainer &atom_cntnr, const Chem::Atom3DCoordinatesFunction &coords_func, const Math::Matrix4D &xform, double vdw_factor=1.0)
CDPL_PHARM_API void	CDPL::Pharm::getFeatureAtoms (const FeatureContainer &cntnr, Chem::Fragment &atoms, bool append=false)

Detailed Description

Declaration of functions that operate on Pharm::FeatureContainer instances.