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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. | |