Molassembler  3.0.0
Molecule graph and conformer library
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Data Fields
Scine::Molassembler::PeriodicBoundaryDuplicates Struct Reference

Data Fields

std::unordered_set< AtomIndex > uninterestingAtoms
 
std::unordered_map< AtomIndex,
AtomIndex > 		ghostAtomMap
 
The documentation for this struct was generated from the following file: