InChI
 
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Data Fields
tagINCHI_OUT_CTL Struct Reference

#include <ichimain.h>

+ Collaboration diagram for tagINCHI_OUT_CTL:

Data Fields

int ATOM_MODE
 
int TAUT_MODE
 
int * pSortPrintINChIFlags
 
int bOverflow
 
int bAlways
 
int bOutputType
 
int bOutType
 
int bPlainTextTags
 
int bOmitRepetitions
 
int bUseMulipliers
 
int bNonTautNonIsoIdentifierNotEmpty
 
int bNonTautIsoIdentifierNotEmpty
 
int bSecondNonTautPass
 
int bTautomericOutputAllowed
 
int bTautomeric
 
int bNonTautomeric
 
int bNonTautIsIdenticalToTaut
 
int bFhTag
 
int bRelRac
 
int bAbcNumbers
 
int bIsotopic
 
int bPolymers
 
int iCurTautMode
 
int num_components
 
int nNumRemovedProtons
 
int nTag
 
int bTag1
 
int bTag2
 
int bTag3
 
int tot_len
 
int tot_len2
 
int nCurINChISegment
 
int nSegmAction
 
int num_comp [TAUT_NUM]
 
int num_iso_H [NUM_H_ISOTOPES]
 
int bAtomEqu [TAUT_NUM]
 
int bTautEqu [TAUT_NUM]
 
int bInvStereo [TAUT_NUM]
 
int bInvStereoOrigNumb [TAUT_NUM]
 
int bRacemicStereo [TAUT_NUM]
 
int bRelativeStereo [TAUT_NUM]
 
int bIsotopicOrigNumb [TAUT_NUM]
 
int bIsotopicAtomEqu [TAUT_NUM]
 
int bIsotopicTautEqu [TAUT_NUM]
 
int bInvIsotopicStereo [TAUT_NUM]
 
int bInvIsotopicStereoOrigNumb [TAUT_NUM]
 
int bIsotopicRacemicStereo [TAUT_NUM]
 
int bIsotopicRelativeStereo [TAUT_NUM]
 
int bIgn_UU_Sp3 [TAUT_NUM]
 
int bIgn_UU_Sp2 [TAUT_NUM]
 
int bIgn_UU_Sp3_Iso [TAUT_NUM]
 
int bIgn_UU_Sp2_Iso [TAUT_NUM]
 
int bChargesRadVal [TAUT_NUM]
 
int bOrigCoord [TAUT_NUM]
 
char sDifSegs [DIFL_LENGTH][DIFS_LENGTH]
 
char szTag1 [PRINT_INCHI_MAX_TAG_LEN]
 
char szTag2 [PRINT_INCHI_MAX_TAG_LEN]
 
char szTag3 [PRINT_INCHI_MAX_TAG_LEN]
 
int n_pzz
 
int n_zy
 
INCHI_SORT ** pINChISortTautAndNonTaut
 
INCHI_SORT * pINChISort
 
INCHI_SORT * pINChISort2
 

Field Documentation

◆ ATOM_MODE

int tagINCHI_OUT_CTL::ATOM_MODE

◆ bAbcNumbers

int tagINCHI_OUT_CTL::bAbcNumbers

◆ bAlways

int tagINCHI_OUT_CTL::bAlways

◆ bAtomEqu

int tagINCHI_OUT_CTL::bAtomEqu[TAUT_NUM]

◆ bChargesRadVal

int tagINCHI_OUT_CTL::bChargesRadVal[TAUT_NUM]

◆ bFhTag

int tagINCHI_OUT_CTL::bFhTag

◆ bIgn_UU_Sp2

int tagINCHI_OUT_CTL::bIgn_UU_Sp2[TAUT_NUM]

◆ bIgn_UU_Sp2_Iso

int tagINCHI_OUT_CTL::bIgn_UU_Sp2_Iso[TAUT_NUM]

◆ bIgn_UU_Sp3

int tagINCHI_OUT_CTL::bIgn_UU_Sp3[TAUT_NUM]

◆ bIgn_UU_Sp3_Iso

int tagINCHI_OUT_CTL::bIgn_UU_Sp3_Iso[TAUT_NUM]

◆ bInvIsotopicStereo

int tagINCHI_OUT_CTL::bInvIsotopicStereo[TAUT_NUM]

◆ bInvIsotopicStereoOrigNumb

int tagINCHI_OUT_CTL::bInvIsotopicStereoOrigNumb[TAUT_NUM]

◆ bInvStereo

int tagINCHI_OUT_CTL::bInvStereo[TAUT_NUM]

◆ bInvStereoOrigNumb

int tagINCHI_OUT_CTL::bInvStereoOrigNumb[TAUT_NUM]

◆ bIsotopic

int tagINCHI_OUT_CTL::bIsotopic

◆ bIsotopicAtomEqu

int tagINCHI_OUT_CTL::bIsotopicAtomEqu[TAUT_NUM]

◆ bIsotopicOrigNumb

int tagINCHI_OUT_CTL::bIsotopicOrigNumb[TAUT_NUM]

◆ bIsotopicRacemicStereo

int tagINCHI_OUT_CTL::bIsotopicRacemicStereo[TAUT_NUM]

◆ bIsotopicRelativeStereo

int tagINCHI_OUT_CTL::bIsotopicRelativeStereo[TAUT_NUM]

◆ bIsotopicTautEqu

int tagINCHI_OUT_CTL::bIsotopicTautEqu[TAUT_NUM]

◆ bNonTautIsIdenticalToTaut

int tagINCHI_OUT_CTL::bNonTautIsIdenticalToTaut

◆ bNonTautIsoIdentifierNotEmpty

int tagINCHI_OUT_CTL::bNonTautIsoIdentifierNotEmpty

◆ bNonTautNonIsoIdentifierNotEmpty

int tagINCHI_OUT_CTL::bNonTautNonIsoIdentifierNotEmpty

◆ bNonTautomeric

int tagINCHI_OUT_CTL::bNonTautomeric

◆ bOmitRepetitions

int tagINCHI_OUT_CTL::bOmitRepetitions

◆ bOrigCoord

int tagINCHI_OUT_CTL::bOrigCoord[TAUT_NUM]

◆ bOutputType

int tagINCHI_OUT_CTL::bOutputType

◆ bOutType

int tagINCHI_OUT_CTL::bOutType

◆ bOverflow

int tagINCHI_OUT_CTL::bOverflow

◆ bPlainTextTags

int tagINCHI_OUT_CTL::bPlainTextTags

◆ bPolymers

int tagINCHI_OUT_CTL::bPolymers

◆ bRacemicStereo

int tagINCHI_OUT_CTL::bRacemicStereo[TAUT_NUM]

◆ bRelativeStereo

int tagINCHI_OUT_CTL::bRelativeStereo[TAUT_NUM]

◆ bRelRac

int tagINCHI_OUT_CTL::bRelRac

◆ bSecondNonTautPass

int tagINCHI_OUT_CTL::bSecondNonTautPass

◆ bTag1

int tagINCHI_OUT_CTL::bTag1

◆ bTag2

int tagINCHI_OUT_CTL::bTag2

◆ bTag3

int tagINCHI_OUT_CTL::bTag3

◆ bTautEqu

int tagINCHI_OUT_CTL::bTautEqu[TAUT_NUM]

◆ bTautomeric

int tagINCHI_OUT_CTL::bTautomeric

◆ bTautomericOutputAllowed

int tagINCHI_OUT_CTL::bTautomericOutputAllowed

◆ bUseMulipliers

int tagINCHI_OUT_CTL::bUseMulipliers

◆ iCurTautMode

int tagINCHI_OUT_CTL::iCurTautMode

◆ n_pzz

int tagINCHI_OUT_CTL::n_pzz

◆ n_zy

int tagINCHI_OUT_CTL::n_zy

◆ nCurINChISegment

int tagINCHI_OUT_CTL::nCurINChISegment

◆ nNumRemovedProtons

int tagINCHI_OUT_CTL::nNumRemovedProtons

◆ nSegmAction

int tagINCHI_OUT_CTL::nSegmAction

◆ nTag

int tagINCHI_OUT_CTL::nTag

◆ num_comp

int tagINCHI_OUT_CTL::num_comp[TAUT_NUM]

◆ num_components

int tagINCHI_OUT_CTL::num_components

◆ num_iso_H

int tagINCHI_OUT_CTL::num_iso_H[NUM_H_ISOTOPES]

◆ pINChISort

INCHI_SORT* tagINCHI_OUT_CTL::pINChISort

◆ pINChISort2

INCHI_SORT* tagINCHI_OUT_CTL::pINChISort2

◆ pINChISortTautAndNonTaut

INCHI_SORT** tagINCHI_OUT_CTL::pINChISortTautAndNonTaut

◆ pSortPrintINChIFlags

int* tagINCHI_OUT_CTL::pSortPrintINChIFlags

◆ sDifSegs

char tagINCHI_OUT_CTL::sDifSegs[DIFL_LENGTH][DIFS_LENGTH]

◆ szTag1

char tagINCHI_OUT_CTL::szTag1[PRINT_INCHI_MAX_TAG_LEN]

◆ szTag2

char tagINCHI_OUT_CTL::szTag2[PRINT_INCHI_MAX_TAG_LEN]

◆ szTag3

char tagINCHI_OUT_CTL::szTag3[PRINT_INCHI_MAX_TAG_LEN]

◆ TAUT_MODE

int tagINCHI_OUT_CTL::TAUT_MODE

◆ tot_len

int tagINCHI_OUT_CTL::tot_len

◆ tot_len2

int tagINCHI_OUT_CTL::tot_len2
The documentation for this struct was generated from the following file: