ichiprt3.c File Reference

#include <string.h>
#include "mode.h"
#include "ichimain.h"
#include "ichimake.h"
#include "ichi_io.h"
#include "bcf_s.h"

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Macros
#define	AUX_ISO_NUMB_BUG_FIX

Functions
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_FixedH_atoms (INCHI_SORT *pINChISort, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int ATOM_MODE, int num_components, 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_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_StereoAbsInv (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_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_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_IsoStereoAbsInv (INCHI_SORT *pINChISort, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int num_components)
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_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_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_AuxTgroupEqu (INCHI_SORT *pINChISort, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bUseMulipliers)
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	str_AuxIsoTgroupEqu (INCHI_SORT *pINChISort, INCHI_IOS_STRING *strbuf, int *bOverflow, int bOutType, int TAUT_MODE, int num_components, int bOmitRepetitions, int bUseMulipliers)

Macro Definition Documentation

AUX_ISO_NUMB_BUG_FIX

#define AUX_ISO_NUMB_BUG_FIX

Function Documentation

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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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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