Molassembler  1.2.0
Molecule graph and conformer library
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Public Member Functions | Data Fields
Scine::Molassembler::IO::AtomData Struct Reference

Public Member Functions

Utils::ElementType getElement () const
 

Data Fields

unsigned A = 0
 
ElementData partialElement
 
boost::optional< ChiralData > chiralOptional
 
boost::optional< unsigned > hCount
 
boost::optional< int > chargeOptional
 
bool atomBracket = false
 
The documentation for this struct was generated from the following file: