InChI
 
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Data Fields
INCHIMOL_V3000 Struct Reference

#include <ixa_mol.h>

+ Collaboration diagram for INCHIMOL_V3000:

Data Fields

int n_non_star_atoms
 
int n_star_atoms
 
int * atom_index_orig
 
int * atom_index_fin
 
int n_sgroups
 
int n_3d_constraints
 
int n_collections
 
int n_non_haptic_bonds
 
int n_haptic_bonds
 
int ** lists_haptic_bonds
 
int n_steabs
 
int ** lists_steabs
 
int n_sterel
 
int ** lists_sterel
 
int n_sterac
 
int ** lists_sterac
 

Field Documentation

◆ atom_index_fin

int* INCHIMOL_V3000::atom_index_fin

◆ atom_index_orig

int* INCHIMOL_V3000::atom_index_orig

◆ lists_haptic_bonds

int** INCHIMOL_V3000::lists_haptic_bonds

◆ lists_steabs

int** INCHIMOL_V3000::lists_steabs

◆ lists_sterac

int** INCHIMOL_V3000::lists_sterac

◆ lists_sterel

int** INCHIMOL_V3000::lists_sterel

◆ n_3d_constraints

int INCHIMOL_V3000::n_3d_constraints

◆ n_collections

int INCHIMOL_V3000::n_collections

◆ n_haptic_bonds

int INCHIMOL_V3000::n_haptic_bonds

◆ n_non_haptic_bonds

int INCHIMOL_V3000::n_non_haptic_bonds

◆ n_non_star_atoms

int INCHIMOL_V3000::n_non_star_atoms

◆ n_sgroups

int INCHIMOL_V3000::n_sgroups

◆ n_star_atoms

int INCHIMOL_V3000::n_star_atoms

◆ n_steabs

int INCHIMOL_V3000::n_steabs

◆ n_sterac

int INCHIMOL_V3000::n_sterac

◆ n_sterel

int INCHIMOL_V3000::n_sterel
The documentation for this struct was generated from the following file: