DirectedConformerGenerator.h File Reference

Directed conformer generation class and helper functions. More...

#include "Molassembler/Conformers.h"
#include "Molassembler/BondStereopermutator.h"
#include "Molassembler/Options.h"
#include "boost/variant/variant_fwd.hpp"
#include <unordered_map>

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Data Structures
class	Scine::Molassembler::DirectedConformerGenerator
	Helper type for directed conformer generation. More...
struct	Scine::Molassembler::DirectedConformerGenerator::EnumerationSettings
	Settings for enumeration. More...
struct	Scine::Molassembler::DirectedConformerGenerator::Relabeler
	Relabeler for decision lists with minimized structures. More...
struct	Scine::Molassembler::DirectedConformerGenerator::Relabeler::DihedralInfo

Namespaces
	Scine::Molassembler
	Central library namespace.

Detailed Description

Directed conformer generation class and helper functions.

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.