RDKit
Open-source cheminformatics and machine learning.
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Conformer.h File Reference
#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>

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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< ConformerRDKit::CONFORMER_SPTR
 

Functions

bool RDKit::hasNonZeroZCoords (const Conformer &conf)
 Returns true if any of the z coords are non zero, false otherwise.