CycleFeasibility.h File Reference

#include "Molassembler/Modeling/CommonTrig.h"

Include dependency graph for CycleFeasibility.h:

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Data Structures
struct	Scine::Molassembler::Stereopermutators::BaseAtom
	Data class for cycleModelContradictsGraph() input. More...

Namespaces
	Scine::Molassembler
	Central library namespace.
	Scine::Molassembler::Stereopermutators
	Stereopermutator implementation details.

Functions
bool	Scine::Molassembler::Stereopermutators::cycleModelContradictsGraph (const std::vector< Utils::ElementType > &elementTypes, const std::vector< double > &cycleEdgeLengths, const std::vector< BaseAtom > &bases)
	Checks whether spatially modeling a cycle contradicts the graph. More...
bool	Scine::Molassembler::Stereopermutators::triangleBondTooClose (double a, double b, double angle, double bondRadius)
	Checks whether the far bond in a triangle is too close to the originating atom. More...

Detailed Description

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.