Molassembler  3.0.0
Molecule graph and conformer library
 All Data Structures Namespaces Files Functions Variables Typedefs Enumerations Enumerator Macros Pages
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"
Include dependency graph for SmilesParseData.h:
This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

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  SmilesBondType {
  Single, Double, Triple, Quadruple,
  Aromatic, Forward, Backward
}
 

Detailed Description

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