Handle rotational arrangements of adjacent atom-centered shapes. More...

#include "Molassembler/AtomStereopermutator.h"
#include <string>

Include dependency graph for BondStereopermutator.h:

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Data Structures
class	Scine::Molassembler::BondStereopermutator
	Handles specific relative arrangements of two atom stereopermutators joined by a bond. More...

struct	Scine::Molassembler::BondStereopermutator::FittingReferences

Namespaces
	Scine

	Scine::Molassembler
	Central library namespace.

	Scine::Molassembler::Stereopermutations
	Data classes for permutational spatial arrangement modeling.

	Scine::Molassembler::Random
	Randomness source for the library.

	Scine::Molassembler::DistanceGeometry
	Distance geometry-related classes and functions.

Detailed Description

Handle rotational arrangements of adjacent atom-centered shapes.

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. Contains the BondStereopermutator class declaration, which models E/Z double bond stereopermutators in molecules.

Data Structures