Molassembler  1.0.0
Molecule graph and conformer library
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Scine::Molassembler::DistanceGeometry::SpatialModel::BoundsMatrixHelper Struct Reference

Public Member Functions

 BoundsMatrixHelper (AtomIndex size)
 
void add (AtomIndex i, AtomIndex j, const ValueBounds &bounds)
 
void addMap (const BoundsMapType< 2 > &boundsMap)
 
ValueBounds get (AtomIndex i, AtomIndex j) const
 

Data Fields

Eigen::MatrixXd matrix
 

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