DistanceGeometry.h File Reference

Data struct to store chiral constraints for DG. More...

#include "Molassembler/DistanceGeometry/ValueBounds.h"
#include "Molassembler/Types.h"
#include <vector>
#include <array>

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Data Structures
struct	Scine::Molassembler::DistanceGeometry::ChiralConstraint
	Data struct representing a chiral constraint. More...
struct	Scine::Molassembler::DistanceGeometry::DihedralConstraint
	Data struct representing a dihedral constraint. More...

Namespaces
	Scine
	Scine::Molassembler
	Central library namespace.
	Scine::Molassembler::DistanceGeometry
	Distance geometry-related classes and functions.

Detailed Description

Data struct to store chiral constraints for DG.

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 some central data class declarations and type definitions for the entire Distance Geometry scheme.