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tagCompositeAtomData Struct Reference

#include <inpdef.h>

+ Collaboration diagram for tagCompositeAtomData:

Data Fields

inp_ATOMat
 
int num_at
 
int num_removed_H
 
int num_bonds
 
int num_isotopic
 
int bExists
 
int bDeleted
 
int bHasIsotopicLayer
 
int bTautomeric
 
int nNumRemovedProtons
 
NUM_H nNumRemovedProtonsIsotopic [NUM_H_ISOTOPES]
 
NUM_H num_iso_H [NUM_H_ISOTOPES]
 
AT_NUMBnOffsetAtAndH
 
int num_components
 

Field Documentation

◆ at

inp_ATOM* tagCompositeAtomData::at

◆ bDeleted

int tagCompositeAtomData::bDeleted

◆ bExists

int tagCompositeAtomData::bExists

◆ bHasIsotopicLayer

int tagCompositeAtomData::bHasIsotopicLayer

◆ bTautomeric

int tagCompositeAtomData::bTautomeric

◆ nNumRemovedProtons

int tagCompositeAtomData::nNumRemovedProtons

◆ nNumRemovedProtonsIsotopic

NUM_H tagCompositeAtomData::nNumRemovedProtonsIsotopic[NUM_H_ISOTOPES]

◆ nOffsetAtAndH

AT_NUMB* tagCompositeAtomData::nOffsetAtAndH

◆ num_at

int tagCompositeAtomData::num_at

◆ num_bonds

int tagCompositeAtomData::num_bonds

◆ num_components

int tagCompositeAtomData::num_components

◆ num_iso_H

NUM_H tagCompositeAtomData::num_iso_H[NUM_H_ISOTOPES]

◆ num_isotopic

int tagCompositeAtomData::num_isotopic

◆ num_removed_H

int tagCompositeAtomData::num_removed_H

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