InChI
 
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Data Fields
tagCOMPONENT_TREAT_INFO Struct Reference

#include <inchi_dll_a.h>

+ Collaboration diagram for tagCOMPONENT_TREAT_INFO:

Data Fields

int n1
 
int n2
 
int num_atoms
 
int num_at_tg
 
int num_deleted_H
 
int num_deleted_H_taut
 
INCHI_MODE nMode
 
T_GROUP_INFO vt_group_info
 
T_GROUP_INFO vt_group_info_orig
 
ATOM_SIZES s [TAUT_NUM]
 
BCN Bcn
 
int bHasIsotopicAtoms
 
int bMayHaveStereo
 
int num_taut_at
 
int bPointedEdgeStereo
 
int vABParityUnknown
 
int bLooseTSACheck
 
int bStereoAtZz
 
INCHI_MODE bTautFlags
 
INCHI_MODE bTautFlagsDone
 
INCHI_MODE nUserMode
 
sp_ATOM * at [TAUT_NUM]
 
inp_ATOM * out_at
 
int fix_isofixedh
 
int fix_termhchrg
 

Field Documentation

◆ at

sp_ATOM* tagCOMPONENT_TREAT_INFO::at[TAUT_NUM]

◆ Bcn

BCN tagCOMPONENT_TREAT_INFO::Bcn

◆ bHasIsotopicAtoms

int tagCOMPONENT_TREAT_INFO::bHasIsotopicAtoms

◆ bLooseTSACheck

int tagCOMPONENT_TREAT_INFO::bLooseTSACheck

◆ bMayHaveStereo

int tagCOMPONENT_TREAT_INFO::bMayHaveStereo

◆ bPointedEdgeStereo

int tagCOMPONENT_TREAT_INFO::bPointedEdgeStereo

◆ bStereoAtZz

int tagCOMPONENT_TREAT_INFO::bStereoAtZz

◆ bTautFlags

INCHI_MODE tagCOMPONENT_TREAT_INFO::bTautFlags

◆ bTautFlagsDone

INCHI_MODE tagCOMPONENT_TREAT_INFO::bTautFlagsDone

◆ fix_isofixedh

int tagCOMPONENT_TREAT_INFO::fix_isofixedh

◆ fix_termhchrg

int tagCOMPONENT_TREAT_INFO::fix_termhchrg

◆ n1

int tagCOMPONENT_TREAT_INFO::n1

◆ n2

int tagCOMPONENT_TREAT_INFO::n2

◆ nMode

INCHI_MODE tagCOMPONENT_TREAT_INFO::nMode

◆ num_at_tg

int tagCOMPONENT_TREAT_INFO::num_at_tg

◆ num_atoms

int tagCOMPONENT_TREAT_INFO::num_atoms

◆ num_deleted_H

int tagCOMPONENT_TREAT_INFO::num_deleted_H

◆ num_deleted_H_taut

int tagCOMPONENT_TREAT_INFO::num_deleted_H_taut

◆ num_taut_at

int tagCOMPONENT_TREAT_INFO::num_taut_at

◆ nUserMode

INCHI_MODE tagCOMPONENT_TREAT_INFO::nUserMode

◆ out_at

inp_ATOM* tagCOMPONENT_TREAT_INFO::out_at

◆ s

ATOM_SIZES tagCOMPONENT_TREAT_INFO::s[TAUT_NUM]

◆ vABParityUnknown

int tagCOMPONENT_TREAT_INFO::vABParityUnknown

◆ vt_group_info

T_GROUP_INFO tagCOMPONENT_TREAT_INFO::vt_group_info

◆ vt_group_info_orig

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