DGCoordinatesGenerator.hpp File Reference

Implementation of a distance geometry based coordinates generator. More...

#include <cstddef>
#include <vector>
#include <algorithm>
#include <cmath>
#include <boost/random/mersenne_twister.hpp>
#include <boost/random/uniform_real.hpp>
#include <boost/random/uniform_int.hpp>
#include "CDPL/Base/Exceptions.hpp"

Go to the source code of this file.

Classes
class	CDPL::Util::DGCoordinatesGeneratorBase< Dim, T, Derived >
	Base for classes dedicated to the generation of coordinates that fulfill user-provided point distance (and volume) constraints [ASPE]. More...
class	CDPL::Util::DGCoordinatesGeneratorBase< Dim, T, Derived >::DistanceConstraint
class	CDPL::Util::DGCoordinatesGenerator< Dim, T >
	Generic implementation for generation of coordinates that fulfill user-provided point distance constraints [ASPE]. More...
class	CDPL::Util::DGCoordinatesGenerator< 3, T >
	Specialized implementation for the generation of 3D coordinates that fulfill user-provided point distance and volume constraints [ASPE]. More...
class	CDPL::Util::DGCoordinatesGenerator< 3, T >::VolumeConstraint

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Util
	Contains general purpose algorithms, containers, functors and other classes.

Typedefs
typedef DGCoordinatesGenerator< 3, double >	CDPL::Util::DG3DCoordinatesGenerator

Detailed Description

Implementation of a distance geometry based coordinates generator.