RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>
#include <Geometry/point.h>
#include <RDGeneral/types.h>
#include <boost/smart_ptr.hpp>
#include <RDGeneral/RDProps.h>
#include <cmath>
#include <limits>
#include <utility>
Go to the source code of this file.
Classes | |
class | RDKit::ConformerException |
used to indicate errors from incorrect conformer access More... | |
class | RDKit::Conformer |
The class for representing 2D or 3D conformation of a molecule. More... | |
Namespaces | |
namespace | RDKit |
Std stuff. | |
Typedefs | |
typedef boost::shared_ptr< Conformer > | RDKit::CONFORMER_SPTR |
Functions | |
bool | RDKit::hasNonZeroZCoords (const Conformer &conf) |
Returns true if any of the z coords are non zero, false otherwise. | |