Stereopermutation.h File Reference

Base class to describe substituent arrangements in shapes. More...

#include "Molassembler/Shapes/Data.h"
#include "Molassembler/Temple/StrongIndexPermutation.h"

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Data Structures
class	Scine::Molassembler::Stereopermutations::Stereopermutation
	Represent abstract stereopermutation around atom center. More...

Namespaces
	Scine::Molassembler
	Central library namespace.
	Scine::Molassembler::Stereopermutations
	Data classes for permutational spatial arrangement modeling.

Typedefs
using	Scine::Molassembler::Stereopermutations::Rank = Temple::StrongIndex< rank_tag, unsigned >
	Ranked index of a site.

Functions
PURITY_WEAK std::size_t	Scine::Molassembler::Stereopermutations::hash_value (const Stereopermutation &assignment)

Detailed Description

Base class to describe substituent arrangements in 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 base class employed for describing the particular manner in which substituents are arranged in various shapes.