Molassembler  3.0.0
Molecule graph and conformer library
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Scine::Molassembler::Stereopermutators::LocalSpatialModel Struct Reference

Public Types

Types
using ConeAngleType = std::vector< boost::optional< DistanceGeometry::ValueBounds > >
 

Public Member Functions

 LocalSpatialModel (AtomIndex placement, const RankingInformation &ranking, const PrivateGraph &graph)
 

Data Fields

Data
std::vector
< DistanceGeometry::ValueBounds
siteDistances
 Mapping from site index to modeled site plane distance.
 
ConeAngleType coneAngles
 Mapping from site index to cone angle optional.
 

The documentation for this struct was generated from the following file: