InChI
 
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Data Fields
INCHIMOL_ATOM Struct Reference

#include <ixa_mol.h>

+ Collaboration diagram for INCHIMOL_ATOM:

Data Fields

double x
 
double y
 
double z
 
int atomic_number
 
int hydrogens [4]
 
int mass
 
IXA_ATOM_RADICAL radical
 
int charge
 
int bond_count
 
IXA_BONDID bonds [20]
 

Field Documentation

◆ atomic_number

int INCHIMOL_ATOM::atomic_number

◆ bond_count

int INCHIMOL_ATOM::bond_count

◆ bonds

IXA_BONDID INCHIMOL_ATOM::bonds[20]

◆ charge

int INCHIMOL_ATOM::charge

◆ hydrogens

int INCHIMOL_ATOM::hydrogens[4]

◆ mass

int INCHIMOL_ATOM::mass

◆ radical

IXA_ATOM_RADICAL INCHIMOL_ATOM::radical

◆ x

double INCHIMOL_ATOM::x

◆ y

double INCHIMOL_ATOM::y

◆ z

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