RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>
#include <RDGeneral/Invariant.h>
#include <boost/smart_ptr.hpp>
#include <iostream>
#include <iomanip>
#include <Numerics/SquareMatrix.h>
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Classes | |
class | DistGeom::BoundsMatrix |
Class to store the distance bound. More... | |
Namespaces | |
namespace | DistGeom |
Typedefs | |
typedef boost::shared_ptr< BoundsMatrix > | DistGeom::BoundsMatPtr |