SmilesParseData.h File Reference

Define data accrued in smiles parser for consumption in the accompanying molecule builder. More...

#include <boost/fusion/adapted/struct/adapt_struct.hpp>
#include <boost/fusion/include/adapt_struct.hpp>
#include "Utils/Geometry/ElementInfo.h"
#include "Molassembler/Shapes/Shapes.h"
#include "boost/optional.hpp"
#include "Molassembler/Types.h"

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Data Structures
struct	Scine::Molassembler::IO::ElementData
struct	Scine::Molassembler::IO::ChiralData
struct	Scine::Molassembler::IO::AtomData
struct	Scine::Molassembler::IO::BondData

Namespaces
	Scine::Molassembler
	Central library namespace.
	Scine::Molassembler::IO
	Input and output.

Enumerations
enum class	SmilesBondType {   Single , Double , Triple , Quadruple ,   Aromatic , Forward , Backward }

Detailed Description

Define data accrued in smiles parser for consumption in the accompanying molecule builder.

Copyright

This code is licensed under the 3-clause BSD license. Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group. See LICENSE.txt for details.