AngleLookup.h File Reference

Generate lookup table for a symmetry's angles. More...

#include "Molassembler/Temple/constexpr/UpperTriangularMatrix.h"

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Namespaces
	Scine::Molassembler
	Central library namespace.
	Scine::Molassembler::Shapes
	Symmetry definitions and properties.

Detailed Description

Generate lookup table for a symmetry's angles.

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. Facilitates the calculation of all possible angles between ligand positions of symmetries with many binding sites in a constexpr manner from the coordinates.

Provides functionality for converting a set of 3D atom positions into an array of all possible angles between the positions in a constexpr fashion.

Explicitly creates this array for a set of atoms arranged in a square antiprismatic geometry.