InChI
 
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Data Fields
tagStructFromInChI Struct Reference

#include <ichirvrs.h>

+ Collaboration diagram for tagStructFromInChI:

Data Fields

inp_ATOM * at
 
inp_ATOM_STEREO * st
 
inp_ATOM * at2
 
T_GROUP_INFO ti
 
AT_NUMB * endpoint
 
S_CHAR * fixed_H
 
XYZ_COORD * pXYZ
 
int num_atoms
 
int num_deleted_H
 
int nNumRemovedProtonsMobHInChI
 
S_CHAR charge
 
char bIsotopic
 
BN_STRUCT * pBNS
 
BN_DATA * pBD
 
ICHICONST SRM * pSrm
 
char bMobileH
 
char iINCHI
 
char bFixedHExists
 
REV_INCHI RevInChI
 
int nRemovedProtonsByNormFromRevrs
 
int nNumRemovedProtonsByRevrs
 
int bExtract
 
INChI * pOneINChI [TAUT_NUM]
 
INChI_Aux * pOneINChI_Aux [TAUT_NUM]
 
INP_ATOM_DATA * pOne_norm_data [TAUT_NUM]
 
S_CHAR * pOne_fixed_H
 
T_GROUP_INFO One_ti
 
int nOneINChI_bMobileH
 
int nNumRemovedProtons
 
AT_NUMB * nAtno2Canon [TAUT_NUM]
 
AT_NUMB * nCanon2Atno [TAUT_NUM]
 
int nError
 
char iInchiRec
 
char iMobileH
 
char bDeleted
 
long num_inp_actual
 
BFS_Q * pbfsq
 
VAL_AT * pVA
 
int nLink
 
int bPostProcessed
 
int nChargeRevrs
 
int nChargeInChI
 
int n_zy
 
int n_pzz
 

Field Documentation

◆ at

inp_ATOM* tagStructFromInChI::at

◆ at2

inp_ATOM* tagStructFromInChI::at2

◆ bDeleted

char tagStructFromInChI::bDeleted

◆ bExtract

int tagStructFromInChI::bExtract

◆ bFixedHExists

char tagStructFromInChI::bFixedHExists

◆ bIsotopic

char tagStructFromInChI::bIsotopic

◆ bMobileH

char tagStructFromInChI::bMobileH

◆ bPostProcessed

int tagStructFromInChI::bPostProcessed

◆ charge

S_CHAR tagStructFromInChI::charge

◆ endpoint

AT_NUMB* tagStructFromInChI::endpoint

◆ fixed_H

S_CHAR* tagStructFromInChI::fixed_H

◆ iINCHI

char tagStructFromInChI::iINCHI

◆ iInchiRec

char tagStructFromInChI::iInchiRec

◆ iMobileH

char tagStructFromInChI::iMobileH

◆ n_pzz

int tagStructFromInChI::n_pzz

◆ n_zy

int tagStructFromInChI::n_zy

◆ nAtno2Canon

AT_NUMB* tagStructFromInChI::nAtno2Canon[TAUT_NUM]

◆ nCanon2Atno

AT_NUMB* tagStructFromInChI::nCanon2Atno[TAUT_NUM]

◆ nChargeInChI

int tagStructFromInChI::nChargeInChI

◆ nChargeRevrs

int tagStructFromInChI::nChargeRevrs

◆ nError

int tagStructFromInChI::nError

◆ nLink

int tagStructFromInChI::nLink

◆ nNumRemovedProtons

int tagStructFromInChI::nNumRemovedProtons

◆ nNumRemovedProtonsByRevrs

int tagStructFromInChI::nNumRemovedProtonsByRevrs

◆ nNumRemovedProtonsMobHInChI

int tagStructFromInChI::nNumRemovedProtonsMobHInChI

◆ nOneINChI_bMobileH

int tagStructFromInChI::nOneINChI_bMobileH

◆ nRemovedProtonsByNormFromRevrs

int tagStructFromInChI::nRemovedProtonsByNormFromRevrs

◆ num_atoms

int tagStructFromInChI::num_atoms

◆ num_deleted_H

int tagStructFromInChI::num_deleted_H

◆ num_inp_actual

long tagStructFromInChI::num_inp_actual

◆ One_ti

T_GROUP_INFO tagStructFromInChI::One_ti

◆ pBD

BN_DATA* tagStructFromInChI::pBD

◆ pbfsq

BFS_Q* tagStructFromInChI::pbfsq

◆ pBNS

BN_STRUCT* tagStructFromInChI::pBNS

◆ pOne_fixed_H

S_CHAR* tagStructFromInChI::pOne_fixed_H

◆ pOne_norm_data

INP_ATOM_DATA* tagStructFromInChI::pOne_norm_data[TAUT_NUM]

◆ pOneINChI

INChI* tagStructFromInChI::pOneINChI[TAUT_NUM]

◆ pOneINChI_Aux

INChI_Aux* tagStructFromInChI::pOneINChI_Aux[TAUT_NUM]

◆ pSrm

ICHICONST SRM* tagStructFromInChI::pSrm

◆ pVA

VAL_AT* tagStructFromInChI::pVA

◆ pXYZ

XYZ_COORD* tagStructFromInChI::pXYZ

◆ RevInChI

REV_INCHI tagStructFromInChI::RevInChI

◆ st

inp_ATOM_STEREO* tagStructFromInChI::st

◆ ti

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