SmilesMoleculeBuilder.h File Reference

Semantic interpreter of the smiles grammar, constructs molecules from the data accrued by the parser. More...

#include "Molassembler/Shapes/Data.h"
#include "Molassembler/IO/SmilesParseData.h"
#include "Molassembler/Graph/PrivateGraph.h"
#include "boost/variant.hpp"
#include "boost/bimap.hpp"
#include "boost/graph/subgraph.hpp"
#include <stack>

Include dependency graph for SmilesMoleculeBuilder.h:

Go to the source code of this file.

Data Structures
struct	Scine::Molassembler::IO::PiSubgraph
	Class to help validate aromatic subgraphs in parsed smiles strings. More...
struct	Scine::Molassembler::IO::PiSubgraph::EligibleOmissible
	Data struct for eligibleOmissible() More...
class	Scine::Molassembler::IO::MoleculeBuilder
	Semantic interpreter of the smiles grammar. More...

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

Detailed Description

Semantic interpreter of the smiles grammar, constructs molecules from the data accrued by the parser.

Copyright

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