SpatialEntityAlignment.hpp File Reference

Definition of class CDPL::Chem::SpatialEntityAlignment. More...

#include <cstddef>
#include <algorithm>
#include <vector>
#include <set>
#include <unordered_set>
#include <functional>
#include <boost/functional/hash.hpp>
#include "CDPL/Chem/TopologicalEntityAlignment.hpp"
#include "CDPL/Math/KabschAlgorithm.hpp"
#include "CDPL/Math/Matrix.hpp"
#include "CDPL/Math/Vector.hpp"
#include "CDPL/Util/ObjectStack.hpp"

Go to the source code of this file.

Classes
class	CDPL::Chem::SpatialEntityAlignment< T >
	Computes a spatial alignment between two sets of entities (with 3D coordinates) by composing topological entity matching with Kabsch-style 3D superposition. More...

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

Detailed Description

Definition of class CDPL::Chem::SpatialEntityAlignment.