InChI
 
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Data Fields
tagINChI_Aux Struct Reference

#include <ichi.h>

+ Collaboration diagram for tagINChI_Aux:

Data Fields

int nErrorCode
 
int nNumberOfAtoms
 
int nNumberOfTGroups
 
int bIsIsotopic
 
int bIsTautomeric
 
AT_NUMB * nOrigAtNosInCanonOrd
 
AT_NUMB * nIsotopicOrigAtNosInCanonOrd
 
AT_NUMB * nOrigAtNosInCanonOrdInv
 
AT_NUMB * nIsotopicOrigAtNosInCanonOrdInv
 
AT_NUMB * nConstitEquNumbers
 
AT_NUMB * nConstitEquTGroupNumbers
 
AT_NUMB * nConstitEquIsotopicNumbers
 
AT_NUMB * nConstitEquIsotopicTGroupNumbers
 
int nRefCount
 
ORIG_INFO * OrigInfo
 
MOL_COORD * szOrigCoord
 
NUM_H nNumRemovedProtons
 
NUM_H nNumRemovedIsotopicH [NUM_H_ISOTOPES]
 
int bDeleted
 
INCHI_MODE bTautFlags
 
INCHI_MODE bTautFlagsDone
 
INCHI_MODE bNormalizationFlags
 
int nCanonFlags
 

Field Documentation

◆ bDeleted

int tagINChI_Aux::bDeleted

◆ bIsIsotopic

int tagINChI_Aux::bIsIsotopic

◆ bIsTautomeric

int tagINChI_Aux::bIsTautomeric

◆ bNormalizationFlags

INCHI_MODE tagINChI_Aux::bNormalizationFlags

◆ bTautFlags

INCHI_MODE tagINChI_Aux::bTautFlags

◆ bTautFlagsDone

INCHI_MODE tagINChI_Aux::bTautFlagsDone

◆ nCanonFlags

int tagINChI_Aux::nCanonFlags

◆ nConstitEquIsotopicNumbers

AT_NUMB* tagINChI_Aux::nConstitEquIsotopicNumbers

◆ nConstitEquIsotopicTGroupNumbers

AT_NUMB* tagINChI_Aux::nConstitEquIsotopicTGroupNumbers

◆ nConstitEquNumbers

AT_NUMB* tagINChI_Aux::nConstitEquNumbers

◆ nConstitEquTGroupNumbers

AT_NUMB* tagINChI_Aux::nConstitEquTGroupNumbers

◆ nErrorCode

int tagINChI_Aux::nErrorCode

◆ nIsotopicOrigAtNosInCanonOrd

AT_NUMB* tagINChI_Aux::nIsotopicOrigAtNosInCanonOrd

◆ nIsotopicOrigAtNosInCanonOrdInv

AT_NUMB* tagINChI_Aux::nIsotopicOrigAtNosInCanonOrdInv

◆ nNumberOfAtoms

int tagINChI_Aux::nNumberOfAtoms

◆ nNumberOfTGroups

int tagINChI_Aux::nNumberOfTGroups

◆ nNumRemovedIsotopicH

NUM_H tagINChI_Aux::nNumRemovedIsotopicH[NUM_H_ISOTOPES]

◆ nNumRemovedProtons

NUM_H tagINChI_Aux::nNumRemovedProtons

◆ nOrigAtNosInCanonOrd

AT_NUMB* tagINChI_Aux::nOrigAtNosInCanonOrd

◆ nOrigAtNosInCanonOrdInv

AT_NUMB* tagINChI_Aux::nOrigAtNosInCanonOrdInv

◆ nRefCount

int tagINChI_Aux::nRefCount

◆ OrigInfo

ORIG_INFO* tagINChI_Aux::OrigInfo

◆ szOrigCoord

MOL_COORD* tagINChI_Aux::szOrigCoord
The documentation for this struct was generated from the following file: