ichimake.h File Reference

#include "ichisize.h"
#include "ichi.h"
#include "extr_ct.h"
#include "ichicant.h"

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Macros
#define	ITEM_DELIMETER   ","
#define	EXTRA_SPACE   ""
#define	COMMA_EXTRA_SPACE   ","
#define	LEN_EXTRA_SPACE   0
#define	CT_MODE_NO_ORPHANS   1 /* no orphans, that CT should have only atoms with neighbors */
#define	CT_MODE_ABC_NUMBERS   2
#define	CT_MODE_ATOM_COUNTS   4
#define	CT_MODE_PREDECESSORS   8
#define	CT_MODE_EQL_H_TOGETHER   16
#define	CT_MODE_ABC_NUM_CLOSURES   32 /* in CT_MODE_ABC_NUMBERS output AB1AC2AB instead of AB-AC-A-B */
#define	HAS_T(S)   (S->pINChI[TAUT_YES] && S->pINChI[TAUT_YES]->nNumberOfAtoms)
#define	HAS_N(S)   (S->pINChI[TAUT_NON] && S->pINChI[TAUT_NON]->nNumberOfAtoms)
#define	HAS_TT(S)   (S->pINChI[TAUT_YES] && S->pINChI[TAUT_YES]->nNumberOfAtoms && S->pINChI[TAUT_YES]->lenTautomer>0)
#define	HAS_TN(S)   (S->pINChI[TAUT_YES] && S->pINChI[TAUT_YES]->nNumberOfAtoms && !S->pINChI[TAUT_YES]->lenTautomer)
#define	HAS_NN(S)   (S->pINChI[TAUT_NON] && S->pINChI[TAUT_NON]->nNumberOfAtoms && !S->pINChI[TAUT_NON]->lenTautomer)
#define	GET_II(M, S)
#define	iiSTEREO   0x0001 /* stereo (sp2 or sp3) */
#define	iiSTEREO_INV   0x0002 /* inverted stereo (sp3) */
#define	iiNUMB   0x0004 /* numbering or inverted stereo numbering */
#define	iiEQU   0x0008 /* equivalence info */
#define	iitISO   0x0010 /* Isotopic */
#define	iitNONTAUT   0x0020 /* Non-tautomeric */
#define	iiEq2NONTAUT   0x0040 /* non-tautomeric */
#define	iiEq2ISO   0x0080 /* isotopic */
#define	iiEq2INV   0x0100 /* equal to inverted (stereo sp3) or to numbering of inverted stereo */
#define	iiEmpty   0x0200 /* item is empty while in the preceding layer the item is not empty */

Functions
int	CompareTautNonIsoPartOfINChI (const INChI *i1, const INChI *i2)
const char *	EquString (int EquVal)
int	FillOutINChI (INChI *pINChI, INChI_Aux *pINChI_Aux, int num_atoms, int num_at_tg, int num_removed_H, sp_ATOM *at, inp_ATOM *norm_at, CANON_STAT *pCS, CANON_GLOBALS *pCG, int bTautomeric, INCHI_MODE nUserMode, char *pStrErrStruct, int bNoWarnings)
int	MakeHillFormulaString (char *szHillFormula, INCHI_IOS_STRING *strbuf, int *bOverflow)
int	bHasOrigInfo (ORIG_INFO *OrigInfo, int num_atoms)
int	EqlOrigInfo (INChI_Aux *a1, INChI_Aux *a2)
int	MakeAbcNumber (char *szString, int nStringLen, const char *szLeadingDelim, int nValue)
int	MakeDecNumber (char *szString, int nStringLen, const char *szLeadingDelim, int nValue)
int	MakeCtStringNew (CANON_GLOBALS *pCG, AT_NUMB *LinearCT, int nLenCT, int bAddDelim, S_CHAR *nNum_H, int num_atoms, INCHI_IOS_STRING *strbuf, int nCtMode, int *bOverflow)
int	MakeCtStringOld (AT_NUMB *LinearCT, int nLenCT, int bAddDelim, INCHI_IOS_STRING *strbuf, int nCtMode, int *bOverflow)
int	MakeCtString (CANON_GLOBALS *pCG, AT_NUMB *LinearCT, int nLenCT, int bAddDelim, S_CHAR *nNum_H, int num_atoms, INCHI_IOS_STRING *strbuf, int nCtMode, int *bOverflow)
int	MakeTautString (AT_NUMB *LinearCT, int nLenCT, int bAddDelim, INCHI_IOS_STRING *strbuf, int nCtMode, int *bOverflow)
int	MakeEquString (AT_NUMB *LinearCT, int nLenCT, int bAddDelim, INCHI_IOS_STRING *strbuf, int nCtMode, int *bOverflow)
int	MakeIsoAtomString (INChI_IsotopicAtom *IsotopicAtom, int nNumberOfIsotopicAtoms, INCHI_IOS_STRING *strbuf, int nCtMode, int *bOverflow)
int	MakeIsoTautString (INChI_IsotopicTGroup *IsotopicTGroup, int nNumberOfIsotopicTGroups, INCHI_IOS_STRING *strbuf, int nCtMode, int *bOverflow)
int	MakeIsoHString (int num_iso_H[], INCHI_IOS_STRING *strbuf, int nCtMode, int *bOverflow)
int	MakeStereoString (AT_NUMB *at1, AT_NUMB *at2, S_CHAR *parity, int bAddDelim, int nLenCT, INCHI_IOS_STRING *buf, int nCtMode, int *bOverflow)
int	MakeCRVString (ORIG_INFO *OrigInfo, int nLenCT, int bAddDelim, INCHI_IOS_STRING *strbuf, int nCtMode, int *bOverflow)
int	MakeMult (int mult, const char *szTailingDelim, INCHI_IOS_STRING *buf, int nCtMode, int *bOverflow)
int	MakeDelim (const char *szTailingDelim, INCHI_IOS_STRING *buf, int *bOverflow)
int	MakeEqStr (const char *szTailingDelim, int mult, INCHI_IOS_STRING *buf, int *bOverflow)
int	MakeHString (int bAddDelim, S_CHAR *LinearCT, int nLenCT, INCHI_IOS_STRING *buf, int nCtMode, int *bOverflow)
AT_NUMB *	GetDfsOrder4CT (CANON_GLOBALS *pCG, AT_NUMB *LinearCT, int nLenCT, S_CHAR *nNum_H, int num_atoms, int nCtMode)
int	str_HillFormula (INCHI_SORT *pINChISort, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int num_components, int bUseMulipliers)
int	str_HillFormula2 (INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int num_components, int bUseMulipliers)
int	str_Connections (CANON_GLOBALS *pCG, INCHI_SORT *pINChISort, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int ATOM_MODE, int num_components, int bUseMulipliers)
int	str_H_atoms (INCHI_SORT *pINChISort, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int ATOM_MODE, int TAUT_MODE, int num_components, int bUseMulipliers)
int	str_Charge2 (INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int num_components, int bSecondNonTautPass, int bOmitRepetitions, int bUseMulipliers)
int	str_Sp2 (INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bSecondNonTautPass, int bOmitRepetitions, int bUseMulipliers)
int	str_IsoSp2 (INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bSecondNonTautPass, int bOmitRepetitions, int bUseMulipliers)
int	str_Sp3 (INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bRelRac, int bSecondNonTautPass, int bOmitRepetitions, int bUseMulipliers)
int	str_IsoSp3 (INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bRelRac, int bSecondNonTautPass, int bOmitRepetitions, int bUseMulipliers)
int	str_StereoAbsInv (INCHI_SORT *pINChISort, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int num_components)
int	str_IsoStereoAbsInv (INCHI_SORT *pINChISort, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int num_components)
int	str_IsoAtoms (INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bAbcNumbers, int bSecondNonTautPass, int bOmitRepetitions, int bUseMulipliers)
int	str_FixedH_atoms (INCHI_SORT *pINChISort, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int ATOM_MODE, int num_components, int bUseMulipliers)
int	str_AuxNumb (CANON_GLOBALS *pCG, INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bSecondNonTautPass, int bOmitRepetitions)
int	str_AuxEqu (INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bSecondNonTautPass, int bOmitRepetitions, int bUseMulipliers)
int	str_AuxTgroupEqu (INCHI_SORT *pINChISort, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bUseMulipliers)
int	str_AuxIsoTgroupEqu (INCHI_SORT *pINChISort, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bOmitRepetitions, int bUseMulipliers)
int	str_AuxInvSp3 (INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bSecondNonTautPass, int bOmitRepetitions, int bUseMulipliers)
int	str_AuxInvSp3Numb (CANON_GLOBALS *pCG, INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bSecondNonTautPass, int bOmitRepetitions)
int	str_AuxIsoNumb (CANON_GLOBALS *pCG, INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bSecondNonTautPass, int bOmitRepetitions)
int	str_AuxIsoEqu (INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bSecondNonTautPass, int bOmitRepetitions, int bUseMulipliers)
int	str_AuxInvIsoSp3 (INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bSecondNonTautPass, int bOmitRepetitions, int bUseMulipliers)
int	str_AuxInvIsoSp3Numb (CANON_GLOBALS *pCG, INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bSecondNonTautPass, int bOmitRepetitions)
int	str_AuxChargeRadVal (INCHI_SORT *pINChISort, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bUseMulipliers)
int	bin_AuxTautTrans (INCHI_SORT *pINChISort, INCHI_SORT *pINChISort2, AT_NUMB **pTrans_n, AT_NUMB **pTrans_s, int bOutType, int num_components)
int	str_AuxTautTrans (CANON_GLOBALS *pCG, AT_NUMB *nTrans_n, AT_NUMB *nTrans_s, INCHI_IOS_STRING *strbuf, int *bOverflow, int TAUT_MODE, int num_components)
int	MergeZzInHillFormula (INCHI_IOS_STRING *strbuf)

Variables
const char	sCompDelim []

Macro Definition Documentation

COMMA_EXTRA_SPACE

#define COMMA_EXTRA_SPACE   ","

CT_MODE_ABC_NUM_CLOSURES

#define CT_MODE_ABC_NUM_CLOSURES   32 /* in CT_MODE_ABC_NUMBERS output AB1AC2AB instead of AB-AC-A-B */

CT_MODE_ABC_NUMBERS

#define CT_MODE_ABC_NUMBERS   2

CT_MODE_ATOM_COUNTS

#define CT_MODE_ATOM_COUNTS   4

CT_MODE_EQL_H_TOGETHER

#define CT_MODE_EQL_H_TOGETHER   16

CT_MODE_NO_ORPHANS

#define CT_MODE_NO_ORPHANS   1 /* no orphans, that CT should have only atoms with neighbors */

CT_MODE_PREDECESSORS

#define CT_MODE_PREDECESSORS   8

EXTRA_SPACE

#define EXTRA_SPACE   ""

GET_II

#define GET_II	(		M,
			S
	)

Value:

                     ((M==OUT_N1)?              (HAS_TN(S)? TAUT_YES : HAS_NN(S)? TAUT_NON : -1): \
                     (M==OUT_T1 || M==OUT_TN)? (HAS_T(S) ? TAUT_YES : HAS_N(S) ? TAUT_NON : -1): \
                     (M==OUT_NN)?              (HAS_NN(S)? TAUT_NON : HAS_TN(S)? TAUT_YES : -1): \
                     (M==OUT_NT)?              ((HAS_TT(S) && HAS_NN(S))       ? TAUT_NON : -1) : -1)

HAS_N

#define HAS_N

(

S

)

(S->pINChI[TAUT_NON] && S->pINChI[TAUT_NON]->nNumberOfAtoms)

HAS_NN

#define HAS_NN

(

S

)

(S->pINChI[TAUT_NON] && S->pINChI[TAUT_NON]->nNumberOfAtoms && !S->pINChI[TAUT_NON]->lenTautomer)

HAS_T

#define HAS_T

(

S

)

(S->pINChI[TAUT_YES] && S->pINChI[TAUT_YES]->nNumberOfAtoms)

HAS_TN

#define HAS_TN

(

S

)

(S->pINChI[TAUT_YES] && S->pINChI[TAUT_YES]->nNumberOfAtoms && !S->pINChI[TAUT_YES]->lenTautomer)

HAS_TT

#define HAS_TT

(

S

)

(S->pINChI[TAUT_YES] && S->pINChI[TAUT_YES]->nNumberOfAtoms && S->pINChI[TAUT_YES]->lenTautomer>0)

iiEmpty

#define iiEmpty   0x0200 /* item is empty while in the preceding layer the item is not empty */

iiEq2INV

#define iiEq2INV   0x0100 /* equal to inverted (stereo sp3) or to numbering of inverted stereo */

iiEq2ISO

#define iiEq2ISO   0x0080 /* isotopic */

iiEq2NONTAUT

#define iiEq2NONTAUT   0x0040 /* non-tautomeric */

iiEQU

#define iiEQU   0x0008 /* equivalence info */

iiNUMB

#define iiNUMB   0x0004 /* numbering or inverted stereo numbering */

iiSTEREO

#define iiSTEREO   0x0001 /* stereo (sp2 or sp3) */

iiSTEREO_INV

#define iiSTEREO_INV   0x0002 /* inverted stereo (sp3) */

iitISO

#define iitISO   0x0010 /* Isotopic */

iitNONTAUT

#define iitNONTAUT   0x0020 /* Non-tautomeric */

ITEM_DELIMETER

#define ITEM_DELIMETER   ","

LEN_EXTRA_SPACE

#define LEN_EXTRA_SPACE   0

Function Documentation

bHasOrigInfo()

int bHasOrigInfo	(	ORIG_INFO *	OrigInfo,
		int	num_atoms
	)

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bin_AuxTautTrans()

int bin_AuxTautTrans	(	INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		AT_NUMB **	pTrans_n,
		AT_NUMB **	pTrans_s,
		int	bOutType,
		int	num_components
	)

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CompareTautNonIsoPartOfINChI()

int CompareTautNonIsoPartOfINChI	(	const INChI *	i1,
		const INChI *	i2
	)

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EqlOrigInfo()

int EqlOrigInfo	(	INChI_Aux *	a1,
		INChI_Aux *	a2
	)

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EquString()

const char * EquString

(

int

EquVal

)

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FillOutINChI()

int FillOutINChI	(	INChI *	pINChI,
		INChI_Aux *	pINChI_Aux,
		int	num_atoms,
		int	num_at_tg,
		int	num_removed_H,
		sp_ATOM *	at,
		inp_ATOM *	norm_at,
		CANON_STAT *	pCS,
		CANON_GLOBALS *	pCG,
		int	bTautomeric,
		INCHI_MODE	nUserMode,
		char *	pStrErrStruct,
		int	bNoWarnings
	)

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GetDfsOrder4CT()

AT_NUMB * GetDfsOrder4CT	(	CANON_GLOBALS *	pCG,
		AT_NUMB *	LinearCT,
		int	nLenCT,
		S_CHAR *	nNum_H,
		int	num_atoms,
		int	nCtMode
	)

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MakeAbcNumber()

int MakeAbcNumber	(	char *	szString,
		int	nStringLen,
		const char *	szLeadingDelim,
		int	nValue
	)

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MakeCRVString()

int MakeCRVString	(	ORIG_INFO *	OrigInfo,
		int	nLenCT,
		int	bAddDelim,
		INCHI_IOS_STRING *	strbuf,
		int	nCtMode,
		int *	bOverflow
	)

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MakeCtString()

int MakeCtString	(	CANON_GLOBALS *	pCG,
		AT_NUMB *	LinearCT,
		int	nLenCT,
		int	bAddDelim,
		S_CHAR *	nNum_H,
		int	num_atoms,
		INCHI_IOS_STRING *	strbuf,
		int	nCtMode,
		int *	bOverflow
	)

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MakeCtStringNew()

int MakeCtStringNew	(	CANON_GLOBALS *	pCG,
		AT_NUMB *	LinearCT,
		int	nLenCT,
		int	bAddDelim,
		S_CHAR *	nNum_H,
		int	num_atoms,
		INCHI_IOS_STRING *	strbuf,
		int	nCtMode,
		int *	bOverflow
	)

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MakeCtStringOld()

int MakeCtStringOld	(	AT_NUMB *	LinearCT,
		int	nLenCT,
		int	bAddDelim,
		INCHI_IOS_STRING *	strbuf,
		int	nCtMode,
		int *	bOverflow
	)

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MakeDecNumber()

int MakeDecNumber	(	char *	szString,
		int	nStringLen,
		const char *	szLeadingDelim,
		int	nValue
	)

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MakeDelim()

int MakeDelim	(	const char *	szTailingDelim,
		INCHI_IOS_STRING *	buf,
		int *	bOverflow
	)

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MakeEqStr()

int MakeEqStr	(	const char *	szTailingDelim,
		int	mult,
		INCHI_IOS_STRING *	buf,
		int *	bOverflow
	)

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MakeEquString()

int MakeEquString	(	AT_NUMB *	LinearCT,
		int	nLenCT,
		int	bAddDelim,
		INCHI_IOS_STRING *	strbuf,
		int	nCtMode,
		int *	bOverflow
	)

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MakeHillFormulaString()

int MakeHillFormulaString	(	char *	szHillFormula,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow
	)

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MakeHString()

int MakeHString	(	int	bAddDelim,
		S_CHAR *	LinearCT,
		int	nLenCT,
		INCHI_IOS_STRING *	buf,
		int	nCtMode,
		int *	bOverflow
	)

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MakeIsoAtomString()

int MakeIsoAtomString	(	INChI_IsotopicAtom *	IsotopicAtom,
		int	nNumberOfIsotopicAtoms,
		INCHI_IOS_STRING *	strbuf,
		int	nCtMode,
		int *	bOverflow
	)

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MakeIsoHString()

int MakeIsoHString	(	int	num_iso_H[],
		INCHI_IOS_STRING *	strbuf,
		int	nCtMode,
		int *	bOverflow
	)

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MakeIsoTautString()

int MakeIsoTautString	(	INChI_IsotopicTGroup *	IsotopicTGroup,
		int	nNumberOfIsotopicTGroups,
		INCHI_IOS_STRING *	strbuf,
		int	nCtMode,
		int *	bOverflow
	)

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MakeMult()

int MakeMult	(	int	mult,
		const char *	szTailingDelim,
		INCHI_IOS_STRING *	buf,
		int	nCtMode,
		int *	bOverflow
	)

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MakeStereoString()

int MakeStereoString	(	AT_NUMB *	at1,
		AT_NUMB *	at2,
		S_CHAR *	parity,
		int	bAddDelim,
		int	nLenCT,
		INCHI_IOS_STRING *	buf,
		int	nCtMode,
		int *	bOverflow
	)

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MakeTautString()

int MakeTautString	(	AT_NUMB *	LinearCT,
		int	nLenCT,
		int	bAddDelim,
		INCHI_IOS_STRING *	strbuf,
		int	nCtMode,
		int *	bOverflow
	)

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MergeZzInHillFormula()

int MergeZzInHillFormula

(

INCHI_IOS_STRING *

strbuf

)

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str_AuxChargeRadVal()

int str_AuxChargeRadVal	(	INCHI_SORT *	pINChISort,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bUseMulipliers
	)

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str_AuxEqu()

int str_AuxEqu	(	INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bSecondNonTautPass,
		int	bOmitRepetitions,
		int	bUseMulipliers
	)

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str_AuxInvIsoSp3()

int str_AuxInvIsoSp3	(	INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bSecondNonTautPass,
		int	bOmitRepetitions,
		int	bUseMulipliers
	)

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str_AuxInvIsoSp3Numb()

int str_AuxInvIsoSp3Numb	(	CANON_GLOBALS *	pCG,
		INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bSecondNonTautPass,
		int	bOmitRepetitions
	)

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str_AuxInvSp3()

int str_AuxInvSp3	(	INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bSecondNonTautPass,
		int	bOmitRepetitions,
		int	bUseMulipliers
	)

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str_AuxInvSp3Numb()

int str_AuxInvSp3Numb	(	CANON_GLOBALS *	pCG,
		INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bSecondNonTautPass,
		int	bOmitRepetitions
	)

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str_AuxIsoEqu()

int str_AuxIsoEqu	(	INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bSecondNonTautPass,
		int	bOmitRepetitions,
		int	bUseMulipliers
	)

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str_AuxIsoNumb()

int str_AuxIsoNumb	(	CANON_GLOBALS *	pCG,
		INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bSecondNonTautPass,
		int	bOmitRepetitions
	)

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str_AuxIsoTgroupEqu()

int str_AuxIsoTgroupEqu	(	INCHI_SORT *	pINChISort,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bOmitRepetitions,
		int	bUseMulipliers
	)

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str_AuxNumb()

int str_AuxNumb	(	CANON_GLOBALS *	pCG,
		INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bSecondNonTautPass,
		int	bOmitRepetitions
	)

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str_AuxTautTrans()

int str_AuxTautTrans	(	CANON_GLOBALS *	pCG,
		AT_NUMB *	nTrans_n,
		AT_NUMB *	nTrans_s,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	TAUT_MODE,
		int	num_components
	)

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str_AuxTgroupEqu()

int str_AuxTgroupEqu	(	INCHI_SORT *	pINChISort,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bUseMulipliers
	)

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str_Charge2()

int str_Charge2	(	INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	num_components,
		int	bSecondNonTautPass,
		int	bOmitRepetitions,
		int	bUseMulipliers
	)

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str_Connections()

int str_Connections	(	CANON_GLOBALS *	pCG,
		INCHI_SORT *	pINChISort,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	ATOM_MODE,
		int	num_components,
		int	bUseMulipliers
	)

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str_FixedH_atoms()

int str_FixedH_atoms	(	INCHI_SORT *	pINChISort,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	ATOM_MODE,
		int	num_components,
		int	bUseMulipliers
	)

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str_H_atoms()

int str_H_atoms	(	INCHI_SORT *	pINChISort,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	ATOM_MODE,
		int	TAUT_MODE,
		int	num_components,
		int	bUseMulipliers
	)

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str_HillFormula()

int str_HillFormula	(	INCHI_SORT *	pINChISort,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	num_components,
		int	bUseMulipliers
	)

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str_HillFormula2()

int str_HillFormula2	(	INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	num_components,
		int	bUseMulipliers
	)

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str_IsoAtoms()

int str_IsoAtoms	(	INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bAbcNumbers,
		int	bSecondNonTautPass,
		int	bOmitRepetitions,
		int	bUseMulipliers
	)

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str_IsoSp2()

int str_IsoSp2	(	INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bSecondNonTautPass,
		int	bOmitRepetitions,
		int	bUseMulipliers
	)

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str_IsoSp3()

int str_IsoSp3	(	INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bRelRac,
		int	bSecondNonTautPass,
		int	bOmitRepetitions,
		int	bUseMulipliers
	)

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str_IsoStereoAbsInv()

int str_IsoStereoAbsInv	(	INCHI_SORT *	pINChISort,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	num_components
	)

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str_Sp2()

int str_Sp2	(	INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bSecondNonTautPass,
		int	bOmitRepetitions,
		int	bUseMulipliers
	)

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str_Sp3()

int str_Sp3	(	INCHI_SORT *	pINChISort,
		INCHI_SORT *	pINChISort2,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	TAUT_MODE,
		int	num_components,
		int	bRelRac,
		int	bSecondNonTautPass,
		int	bOmitRepetitions,
		int	bUseMulipliers
	)

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str_StereoAbsInv()

int str_StereoAbsInv	(	INCHI_SORT *	pINChISort,
		INCHI_IOS_STRING *	strbuf,
		int *	bOverflow,
		int	bOutType,
		int	num_components
	)

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Variable Documentation

sCompDelim

const char sCompDelim[]

extern