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A_MOL_FMT_BOND Struct Reference

Data structure for bond representation in the MOL format. More...

#include <mol_fmt.h>

+ Collaboration diagram for A_MOL_FMT_BOND:

Data Fields

short atnum1
 
short atnum2
 
char bond_type
 
char bond_stereo
 

Detailed Description

Data structure for bond representation in the MOL format.

Parameters
atnum1First atom number.
atnum2Second atom number.
bond_typeType of bond (single, double, triple, etc.).
bond_stereoStereo information for the bond.
bond_topologyTopology information for the bond.
react_center_statusReaction center status information.

Field Documentation

◆ atnum1

short A_MOL_FMT_BOND::atnum1

◆ atnum2

short A_MOL_FMT_BOND::atnum2

◆ bond_stereo

char A_MOL_FMT_BOND::bond_stereo

◆ bond_type

char A_MOL_FMT_BOND::bond_type

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