Chemical Data Processing Library C++ API - Version 1.1.1
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Definition of the class CDPL::GRAIL::GRAILDataSetGenerator. More...
#include <map>
#include <set>
#include <utility>
#include <string>
#include <memory>
#include <functional>
#include "CDPL/GRAIL/APIPrefix.hpp"
#include "CDPL/GRAIL/FeatureInteractionScoreGridCalculator.hpp"
#include "CDPL/GRAIL/AtomDensityGridCalculator.hpp"
#include "CDPL/Grid/RegularGridSet.hpp"
#include "CDPL/Pharm/DefaultPharmacophoreGenerator.hpp"
#include "CDPL/Pharm/BasicPharmacophore.hpp"
#include "CDPL/Chem/Atom3DCoordinatesFunction.hpp"
#include "CDPL/Math/Matrix.hpp"
#include "CDPL/Math/Vector.hpp"
Go to the source code of this file.
Classes | |
class | CDPL::GRAIL::GRAILDataSetGenerator |
GRAILDataSetGenerator. More... | |
Namespaces | |
CDPL | |
The namespace of the Chemical Data Processing Library. | |
CDPL::GRAIL | |
Contains classes and functions related to the GRAIL method [GRAIL]. | |
Definition of the class CDPL::GRAIL::GRAILDataSetGenerator.