molSys::Result Struct Reference

This contains the bond classifier of enum class 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 class 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 132 of file mol_sys.hpp.

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

• src/include/internal/mol_sys.hpp