Chemical Data Processing Library C++ API - Version 1.1.1
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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 |
Implementation of a distance geometry based coordinates generator.