molSys::Result Struct Reference

This contains the bond classifier of enum type bond_type, and the bond correlation factor. More...

#include <mol_sys.hpp>

Data Fields

bond_type classifier
 
double c_value
 Classifier according to CHILL, CHILL+ etc. More...
 

Detailed Description

This contains the bond classifier of enum type bond_type, and the bond correlation factor.

Contains specifically the members:

  • Bond classifier or the type of the bond (staggered, eclipsed, out-of-range)
  • Bond correlation factor

Definition at line 128 of file mol_sys.hpp.


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