inchi_api.h File Reference

#include "ixa.h"

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Data Structures
struct	tagInchiAtom
struct	tagINCHIStereo0D
struct	tagINCHI_Input
struct	inchi_Input_PolymerUnit
struct	inchi_Input_Polymer
struct	inchi_Input_V3000
struct	inchi_InputEx
struct	tagINCHI_InputINCHI
struct	tagINCHI_Output
struct	tagINCHI_OutputStruct
struct	tagINCHI_OutputStructEx
struct	tagInchiInpData
struct	tagNormAtom
struct	tagNormAtomData
struct	tagINCHIGEN_DATA

Macros
#define	FIND_RING_SYSTEMS   1
#define	FIND_RINS_SYSTEMS_DISTANCES   0
#define	FIX_DOCANON_RETCODE_RESET_BUG   1
#define	MAXVAL   20 /* max number of bonds per atom */
#define	ATOM_EL_LEN   6 /* length of ASCIIZ element symbol field */
#define	NUM_H_ISOTOPES   3 /* number of hydrogen isotopes: protium, D, T */
#define	ISOTOPIC_SHIFT_FLAG   10000 /* add to isotopic mass if isotopic_mass = */
#define	ISOTOPIC_SHIFT_MAX   100 /* max abs(isotopic mass - average atomic mass) */
#define	INCHI_US_CHAR_DEF
#define	INCHI_US_SHORT_DEF
#define	NO_ATOM   (-1) /* non-existent (central) atom */
#define	INCHI_API
#define	EXPIMP_TEMPLATE
#define	INCHI_DECL
#define	INCHI_STRING_PREFIX   "InChI="
#define	LEN_INCHI_STRING_PREFIX   6
#define	STR_ERR_LEN   256
#define	INCHIKEY_OK   0
#define	INCHIKEY_UNKNOWN_ERROR   1
#define	INCHIKEY_EMPTY_INPUT   2
#define	INCHIKEY_INVALID_INCHI_PREFIX   3
#define	INCHIKEY_NOT_ENOUGH_MEMORY   4
#define	INCHIKEY_INVALID_INCHI   20
#define	INCHIKEY_INVALID_STD_INCHI   21
#define	MAX_NUM_STEREO_ATOM_NEIGH   4
#define	MAX_NUM_STEREO_BONDS   3
#define	INCHI_NUM   2 /* = array size; member indexes: */

Typedefs
typedef enum tagINCHIRadical	inchi_Radical
typedef enum tagINCHIBondType	inchi_BondType
typedef enum tagINCHIBondStereo2D	inchi_BondStereo2D
typedef signed char	S_CHAR
typedef unsigned char	U_CHAR
typedef signed short	S_SHORT
typedef unsigned short	U_SHORT
typedef S_SHORT	AT_NUM
typedef struct tagInchiAtom	inchi_Atom
typedef enum tagINCHIStereoType0D	inchi_StereoType0D
typedef enum tagINCHIStereoParity0D	inchi_StereoParity0D
typedef struct tagINCHIStereo0D	inchi_Stereo0D
typedef struct tagINCHI_Input	inchi_Input
typedef struct inchi_Input_PolymerUnit	inchi_Input_PolymerUnit
typedef struct inchi_Input_Polymer	inchi_Input_Polymer
typedef struct inchi_Input_V3000	inchi_Input_V3000
typedef struct inchi_InputEx	inchi_InputEx
typedef struct tagINCHI_InputINCHI	inchi_InputINCHI
typedef inchi_Input_PolymerUnit	inchi_Output_PolymerUnit
typedef inchi_Input_Polymer	inchi_Output_Polymer
typedef inchi_Input_V3000	inchi_Output_V3000
typedef struct tagINCHI_Output	inchi_Output
typedef struct tagINCHI_OutputStruct	inchi_OutputStruct
typedef struct tagINCHI_OutputStructEx	inchi_OutputStructEx
typedef enum tagRetValGetINCHI	RetValGetINCHI
typedef enum tagRetValMOL2INCHI	RetValMol2INCHI
typedef enum tagRetValCheckINCHI	RetValCheckINCHI
typedef struct tagInchiInpData	InchiInpData
typedef enum tagRetValGetINCHIKey	RetValCheckINCHIKeyv
typedef unsigned short	AT_NUMBR
typedef signed short	NUM_HS
typedef unsigned long	INCHI_MODES
typedef struct tagNormAtom	NORM_ATOM
typedef struct tagNormAtomData	NORM_ATOMS
typedef struct tagINCHIGEN_DATA	INCHIGEN_DATA
typedef void *	INCHIGEN_HANDLE

Enumerations
enum	tagINCHIRadical { INCHI_RADICAL_NONE = 0 , INCHI_RADICAL_SINGLET = 1 , INCHI_RADICAL_DOUBLET = 2 , INCHI_RADICAL_TRIPLET = 3 }
enum	tagINCHIBondType {   INCHI_BOND_TYPE_NONE = 0 , INCHI_BOND_TYPE_SINGLE = 1 , INCHI_BOND_TYPE_DOUBLE = 2 , INCHI_BOND_TYPE_TRIPLE = 3 ,   INCHI_BOND_TYPE_ALTERN = 4 }
enum	tagINCHIBondStereo2D {   INCHI_BOND_STEREO_NONE = 0 , INCHI_BOND_STEREO_SINGLE_1UP = 1 , INCHI_BOND_STEREO_SINGLE_1EITHER = 4 , INCHI_BOND_STEREO_SINGLE_1DOWN = 6 ,   INCHI_BOND_STEREO_SINGLE_2UP = -1 , INCHI_BOND_STEREO_SINGLE_2EITHER = -4 , INCHI_BOND_STEREO_SINGLE_2DOWN = -6 , INCHI_BOND_STEREO_DOUBLE_EITHER = 3 }
enum	tagINCHIStereoType0D { INCHI_StereoType_None = 0 , INCHI_StereoType_DoubleBond = 1 , INCHI_StereoType_Tetrahedral = 2 , INCHI_StereoType_Allene = 3 }
enum	tagINCHIStereoParity0D {   INCHI_PARITY_NONE = 0 , INCHI_PARITY_ODD = 1 , INCHI_PARITY_EVEN = 2 , INCHI_PARITY_UNKNOWN = 3 ,   INCHI_PARITY_UNDEFINED = 4 }
enum	tagRetValGetINCHI {   inchi_Ret_BREAK = -100 , inchi_Ret_SKIP = -2 , inchi_Ret_EOF = -1 , inchi_Ret_OKAY = 0 ,   inchi_Ret_WARNING = 1 , inchi_Ret_ERROR = 2 , inchi_Ret_FATAL = 3 , inchi_Ret_UNKNOWN = 4 ,   inchi_Ret_BUSY = 5 }
enum	tagRetValMOL2INCHI {   mol2inchi_Ret_OKAY = 0 , mol2inchi_Ret_WARNING = 1 , mol2inchi_Ret_EOF = -1 , mol2inchi_Ret_ERROR = 2 ,   mol2inchi_Ret_ERROR_get = 4 , mol2inchi_Ret_ERROR_comp = 5 }
enum	tagRetValCheckINCHI {   INCHI_VALID_STANDARD = 0 , INCHI_VALID_NON_STANDARD = 1 , INCHI_VALID_BETA = 2 , INCHI_INVALID_PREFIX = 3 ,   INCHI_INVALID_VERSION = 4 , INCHI_INVALID_LAYOUT = 5 , INCHI_FAIL_I2I = 6 }
enum	tagRetValGetINCHIKey {   INCHIKEY_VALID_STANDARD = 0 , INCHIKEY_VALID_NON_STANDARD = -1 , INCHIKEY_INVALID_LENGTH = 1 , INCHIKEY_INVALID_LAYOUT = 2 ,   INCHIKEY_INVALID_VERSION = 3 }

Functions
void	FreeInChIExtInput (inchi_Input_Polymer *polymer, inchi_Input_V3000 *v3000)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	GetINCHI (inchi_Input *inp, inchi_Output *out)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	GetStdINCHI (inchi_Input *inp, inchi_Output *out)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	GetINCHIEx (inchi_InputEx *inp, inchi_Output *out)
EXPIMP_TEMPLATE INCHI_API void INCHI_DECL	FreeINCHI (inchi_Output *out)
EXPIMP_TEMPLATE INCHI_API void INCHI_DECL	FreeStdINCHI (inchi_Output *out)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	GetStringLength (char *p)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	GetStructFromINCHI (inchi_InputINCHI *inpInChI, inchi_OutputStruct *outStruct)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	GetStructFromStdINCHI (inchi_InputINCHI *inpInChI, inchi_OutputStruct *outStruct)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	GetStructFromINCHIEx (inchi_InputINCHI *inpInChI, inchi_OutputStructEx *outStruct)
EXPIMP_TEMPLATE INCHI_API void INCHI_DECL	FreeStructFromINCHI (inchi_OutputStruct *out)
EXPIMP_TEMPLATE INCHI_API void INCHI_DECL	FreeStructFromStdINCHI (inchi_OutputStruct *out)
EXPIMP_TEMPLATE INCHI_API void INCHI_DECL	FreeStructFromINCHIEx (inchi_OutputStructEx *out)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	GetINCHIfromINCHI (inchi_InputINCHI *inpInChI, inchi_Output *out)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	Get_inchi_Input_FromAuxInfo (char *szInchiAuxInfo, int bDoNotAddH, int bDiffUnkUndfStereo, InchiInpData *pInchiInp)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	Get_std_inchi_Input_FromAuxInfo (char *szInchiAuxInfo, int bDoNotAddH, InchiInpData *pInchiInp)
EXPIMP_TEMPLATE INCHI_API void INCHI_DECL	Free_inchi_Input (inchi_Input *pInp)
EXPIMP_TEMPLATE INCHI_API void INCHI_DECL	Free_std_inchi_Input (inchi_Input *pInp)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	CheckINCHI (const char *szINCHI, const int strict)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	GetINCHIKeyFromINCHI (const char *szINCHISource, const int xtra1, const int xtra2, char *szINCHIKey, char *szXtra1, char *szXtra2)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	GetStdINCHIKeyFromStdINCHI (const char *szINCHISource, char *szINCHIKey)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	CheckINCHIKey (const char *szINCHIKey)
EXPIMP_TEMPLATE INCHI_API INCHIGEN_HANDLE INCHI_DECL	INCHIGEN_Create (void)
EXPIMP_TEMPLATE INCHI_API INCHIGEN_HANDLE INCHI_DECL	STDINCHIGEN_Create (void)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	INCHIGEN_Setup (INCHIGEN_HANDLE HGen, INCHIGEN_DATA *pGenData, inchi_Input *pInp)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	STDINCHIGEN_Setup (INCHIGEN_HANDLE HGen, INCHIGEN_DATA *pGenData, inchi_Input *pInp)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	INCHIGEN_DoNormalization (INCHIGEN_HANDLE HGen, INCHIGEN_DATA *pGenData)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	STDINCHIGEN_DoNormalization (INCHIGEN_HANDLE HGen, INCHIGEN_DATA *pGenData)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	INCHIGEN_DoCanonicalization (INCHIGEN_HANDLE HGen, INCHIGEN_DATA *pGenData)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	STDINCHIGEN_DoCanonicalization (INCHIGEN_HANDLE HGen, INCHIGEN_DATA *pGenData)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	INCHIGEN_DoSerialization (INCHIGEN_HANDLE HGen, INCHIGEN_DATA *pGenData, inchi_Output *pResults)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	STDINCHIGEN_DoSerialization (INCHIGEN_HANDLE HGen, INCHIGEN_DATA *pGenData, inchi_Output *pResults)
EXPIMP_TEMPLATE INCHI_API void INCHI_DECL	INCHIGEN_Reset (INCHIGEN_HANDLE HGen, INCHIGEN_DATA *pGenData, inchi_Output *pResults)
EXPIMP_TEMPLATE INCHI_API void INCHI_DECL	STDINCHIGEN_Reset (INCHIGEN_HANDLE HGen, INCHIGEN_DATA *pGenData, inchi_Output *pResults)
EXPIMP_TEMPLATE INCHI_API void INCHI_DECL	INCHIGEN_Destroy (INCHIGEN_HANDLE HGen)
EXPIMP_TEMPLATE INCHI_API void INCHI_DECL	STDINCHIGEN_Destroy (INCHIGEN_HANDLE HGen)
EXPIMP_TEMPLATE INCHI_API int INCHI_DECL	MakeINCHIFromMolfileText (const char *moltext, char *options, inchi_Output *result)

Macro Definition Documentation

ATOM_EL_LEN

#define ATOM_EL_LEN   6 /* length of ASCIIZ element symbol field */

EXPIMP_TEMPLATE

#define EXPIMP_TEMPLATE

FIND_RING_SYSTEMS

#define FIND_RING_SYSTEMS   1

FIND_RINS_SYSTEMS_DISTANCES

#define FIND_RINS_SYSTEMS_DISTANCES   0

FIX_DOCANON_RETCODE_RESET_BUG

#define FIX_DOCANON_RETCODE_RESET_BUG   1

INCHI_API

#define INCHI_API

INCHI_DECL

#define INCHI_DECL

INCHI_NUM

#define INCHI_NUM   2 /* = array size; member indexes: */

INCHI_STRING_PREFIX

#define INCHI_STRING_PREFIX   "InChI="

INCHI_US_CHAR_DEF

#define INCHI_US_CHAR_DEF

INCHI_US_SHORT_DEF

#define INCHI_US_SHORT_DEF

INCHIKEY_EMPTY_INPUT

#define INCHIKEY_EMPTY_INPUT   2

INCHIKEY_INVALID_INCHI

#define INCHIKEY_INVALID_INCHI   20

INCHIKEY_INVALID_INCHI_PREFIX

#define INCHIKEY_INVALID_INCHI_PREFIX   3

INCHIKEY_INVALID_STD_INCHI

#define INCHIKEY_INVALID_STD_INCHI   21

INCHIKEY_NOT_ENOUGH_MEMORY

#define INCHIKEY_NOT_ENOUGH_MEMORY   4

INCHIKEY_OK

#define INCHIKEY_OK   0

INCHIKEY_UNKNOWN_ERROR

#define INCHIKEY_UNKNOWN_ERROR   1

ISOTOPIC_SHIFT_FLAG

#define ISOTOPIC_SHIFT_FLAG   10000 /* add to isotopic mass if isotopic_mass = */

ISOTOPIC_SHIFT_MAX

#define ISOTOPIC_SHIFT_MAX   100 /* max abs(isotopic mass - average atomic mass) */

LEN_INCHI_STRING_PREFIX

#define LEN_INCHI_STRING_PREFIX   6

MAX_NUM_STEREO_ATOM_NEIGH

#define MAX_NUM_STEREO_ATOM_NEIGH   4

MAX_NUM_STEREO_BONDS

#define MAX_NUM_STEREO_BONDS   3

MAXVAL

#define MAXVAL   20 /* max number of bonds per atom */

NO_ATOM

#define NO_ATOM   (-1) /* non-existent (central) atom */

NUM_H_ISOTOPES

#define NUM_H_ISOTOPES   3 /* number of hydrogen isotopes: protium, D, T */

STR_ERR_LEN

#define STR_ERR_LEN   256

Typedef Documentation

AT_NUM

typedef S_SHORT AT_NUM

AT_NUMBR

typedef unsigned short AT_NUMBR

inchi_Atom

typedef struct tagInchiAtom inchi_Atom

inchi_BondStereo2D

typedef enum tagINCHIBondStereo2D inchi_BondStereo2D

inchi_BondType

typedef enum tagINCHIBondType inchi_BondType

inchi_Input

typedef struct tagINCHI_Input inchi_Input

inchi_Input_Polymer

typedef struct inchi_Input_Polymer inchi_Input_Polymer

inchi_Input_PolymerUnit

typedef struct inchi_Input_PolymerUnit inchi_Input_PolymerUnit

inchi_Input_V3000

typedef struct inchi_Input_V3000 inchi_Input_V3000

inchi_InputEx

typedef struct inchi_InputEx inchi_InputEx

inchi_InputINCHI

typedef struct tagINCHI_InputINCHI inchi_InputINCHI

INCHI_MODES

typedef unsigned long INCHI_MODES

inchi_Output

typedef struct tagINCHI_Output inchi_Output

inchi_Output_Polymer

typedef inchi_Input_Polymer inchi_Output_Polymer

inchi_Output_PolymerUnit

typedef inchi_Input_PolymerUnit inchi_Output_PolymerUnit

inchi_Output_V3000

typedef inchi_Input_V3000 inchi_Output_V3000

inchi_OutputStruct

typedef struct tagINCHI_OutputStruct inchi_OutputStruct

inchi_OutputStructEx

typedef struct tagINCHI_OutputStructEx inchi_OutputStructEx

inchi_Radical

typedef enum tagINCHIRadical inchi_Radical

inchi_Stereo0D

typedef struct tagINCHIStereo0D inchi_Stereo0D

inchi_StereoParity0D

typedef enum tagINCHIStereoParity0D inchi_StereoParity0D

inchi_StereoType0D

typedef enum tagINCHIStereoType0D inchi_StereoType0D

INCHIGEN_DATA

typedef struct tagINCHIGEN_DATA INCHIGEN_DATA

INCHIGEN_HANDLE

typedef void* INCHIGEN_HANDLE

InchiInpData

typedef struct tagInchiInpData InchiInpData

NORM_ATOM

typedef struct tagNormAtom NORM_ATOM

NORM_ATOMS

typedef struct tagNormAtomData NORM_ATOMS

NUM_HS

typedef signed short NUM_HS

RetValCheckINCHI

typedef enum tagRetValCheckINCHI RetValCheckINCHI

RetValCheckINCHIKeyv

typedef enum tagRetValGetINCHIKey RetValCheckINCHIKeyv

RetValGetINCHI

typedef enum tagRetValGetINCHI RetValGetINCHI

RetValMol2INCHI

typedef enum tagRetValMOL2INCHI RetValMol2INCHI

S_CHAR

typedef signed char S_CHAR

S_SHORT

typedef signed short S_SHORT

U_CHAR

typedef unsigned char U_CHAR

U_SHORT

typedef unsigned short U_SHORT

Enumeration Type Documentation

tagINCHIBondStereo2D

enum tagINCHIBondStereo2D

Enumerator
INCHI_BOND_STEREO_NONE
INCHI_BOND_STEREO_SINGLE_1UP
INCHI_BOND_STEREO_SINGLE_1EITHER
INCHI_BOND_STEREO_SINGLE_1DOWN
INCHI_BOND_STEREO_SINGLE_2UP
INCHI_BOND_STEREO_SINGLE_2EITHER
INCHI_BOND_STEREO_SINGLE_2DOWN
INCHI_BOND_STEREO_DOUBLE_EITHER

tagINCHIBondType

enum tagINCHIBondType

Enumerator
INCHI_BOND_TYPE_NONE
INCHI_BOND_TYPE_SINGLE
INCHI_BOND_TYPE_DOUBLE
INCHI_BOND_TYPE_TRIPLE
INCHI_BOND_TYPE_ALTERN

tagINCHIRadical

enum tagINCHIRadical

Enumerator
INCHI_RADICAL_NONE
INCHI_RADICAL_SINGLET
INCHI_RADICAL_DOUBLET
INCHI_RADICAL_TRIPLET

tagINCHIStereoParity0D

enum tagINCHIStereoParity0D

Enumerator
INCHI_PARITY_NONE
INCHI_PARITY_ODD
INCHI_PARITY_EVEN
INCHI_PARITY_UNKNOWN
INCHI_PARITY_UNDEFINED

tagINCHIStereoType0D

enum tagINCHIStereoType0D

Enumerator
INCHI_StereoType_None
INCHI_StereoType_DoubleBond
INCHI_StereoType_Tetrahedral
INCHI_StereoType_Allene

tagRetValCheckINCHI

enum tagRetValCheckINCHI

Enumerator
INCHI_VALID_STANDARD
INCHI_VALID_NON_STANDARD
INCHI_VALID_BETA
INCHI_INVALID_PREFIX
INCHI_INVALID_VERSION
INCHI_INVALID_LAYOUT
INCHI_FAIL_I2I

tagRetValGetINCHI

enum tagRetValGetINCHI

Enumerator
inchi_Ret_BREAK
inchi_Ret_SKIP
inchi_Ret_EOF
inchi_Ret_OKAY
inchi_Ret_WARNING
inchi_Ret_ERROR
inchi_Ret_FATAL
inchi_Ret_UNKNOWN
inchi_Ret_BUSY

tagRetValGetINCHIKey

enum tagRetValGetINCHIKey

Enumerator
INCHIKEY_VALID_STANDARD
INCHIKEY_VALID_NON_STANDARD
INCHIKEY_INVALID_LENGTH
INCHIKEY_INVALID_LAYOUT
INCHIKEY_INVALID_VERSION

tagRetValMOL2INCHI

enum tagRetValMOL2INCHI

Enumerator
mol2inchi_Ret_OKAY
mol2inchi_Ret_WARNING
mol2inchi_Ret_EOF
mol2inchi_Ret_ERROR
mol2inchi_Ret_ERROR_get
mol2inchi_Ret_ERROR_comp

Function Documentation

CheckINCHI()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL CheckINCHI	(	const char *	szINCHI,
		const int	strict
	)

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CheckINCHIKey()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL CheckINCHIKey

(

const char *

szINCHIKey

)

Free_inchi_Input()

EXPIMP_TEMPLATE INCHI_API void INCHI_DECL Free_inchi_Input

(

inchi_Input *

pInp

)

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Free_std_inchi_Input()

EXPIMP_TEMPLATE INCHI_API void INCHI_DECL Free_std_inchi_Input

(

inchi_Input *

pInp

)

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FreeINCHI()

EXPIMP_TEMPLATE INCHI_API void INCHI_DECL FreeINCHI

(

inchi_Output *

out

)

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FreeInChIExtInput()

void FreeInChIExtInput	(	inchi_Input_Polymer *	polymer,
		inchi_Input_V3000 *	v3000
	)

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FreeStdINCHI()

EXPIMP_TEMPLATE INCHI_API void INCHI_DECL FreeStdINCHI

(

inchi_Output *

out

)

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FreeStructFromINCHI()

EXPIMP_TEMPLATE INCHI_API void INCHI_DECL FreeStructFromINCHI

(

inchi_OutputStruct *

out

)

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FreeStructFromINCHIEx()

EXPIMP_TEMPLATE INCHI_API void INCHI_DECL FreeStructFromINCHIEx

(

inchi_OutputStructEx *

out

)

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FreeStructFromStdINCHI()

EXPIMP_TEMPLATE INCHI_API void INCHI_DECL FreeStructFromStdINCHI

(

inchi_OutputStruct *

out

)

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Get_inchi_Input_FromAuxInfo()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL Get_inchi_Input_FromAuxInfo	(	char *	szInchiAuxInfo,
		int	bDoNotAddH,
		int	bDiffUnkUndfStereo,
		InchiInpData *	pInchiInp
	)

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Get_std_inchi_Input_FromAuxInfo()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL Get_std_inchi_Input_FromAuxInfo	(	char *	szInchiAuxInfo,
		int	bDoNotAddH,
		InchiInpData *	pInchiInp
	)

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GetINCHI()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL GetINCHI	(	inchi_Input *	inp,
		inchi_Output *	out
	)

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GetINCHIEx()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL GetINCHIEx	(	inchi_InputEx *	inp,
		inchi_Output *	out
	)

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GetINCHIfromINCHI()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL GetINCHIfromINCHI	(	inchi_InputINCHI *	inpInChI,
		inchi_Output *	out
	)

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GetINCHIKeyFromINCHI()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL GetINCHIKeyFromINCHI	(	const char *	szINCHISource,
		const int	xtra1,
		const int	xtra2,
		char *	szINCHIKey,
		char *	szXtra1,
		char *	szXtra2
	)

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GetStdINCHI()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL GetStdINCHI	(	inchi_Input *	inp,
		inchi_Output *	out
	)

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GetStdINCHIKeyFromStdINCHI()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL GetStdINCHIKeyFromStdINCHI	(	const char *	szINCHISource,
		char *	szINCHIKey
	)

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GetStringLength()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL GetStringLength

(

char *

p

)

GetStructFromINCHI()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL GetStructFromINCHI	(	inchi_InputINCHI *	inpInChI,
		inchi_OutputStruct *	outStruct
	)

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GetStructFromINCHIEx()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL GetStructFromINCHIEx	(	inchi_InputINCHI *	inpInChI,
		inchi_OutputStructEx *	outStruct
	)

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GetStructFromStdINCHI()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL GetStructFromStdINCHI	(	inchi_InputINCHI *	inpInChI,
		inchi_OutputStruct *	outStruct
	)

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INCHIGEN_Create()

EXPIMP_TEMPLATE INCHI_API INCHIGEN_HANDLE INCHI_DECL INCHIGEN_Create

(

void

)

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INCHIGEN_Destroy()

EXPIMP_TEMPLATE INCHI_API void INCHI_DECL INCHIGEN_Destroy

(

INCHIGEN_HANDLE

HGen

)

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INCHIGEN_DoCanonicalization()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL INCHIGEN_DoCanonicalization	(	INCHIGEN_HANDLE	HGen,
		INCHIGEN_DATA *	pGenData
	)

sd->nErrorCode &&

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INCHIGEN_DoNormalization()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL INCHIGEN_DoNormalization	(	INCHIGEN_HANDLE	HGen,
		INCHIGEN_DATA *	pGenData
	)

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INCHIGEN_DoSerialization()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL INCHIGEN_DoSerialization	(	INCHIGEN_HANDLE	HGen,
		INCHIGEN_DATA *	pGenData,
		inchi_Output *	pResults
	)

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INCHIGEN_Reset()

EXPIMP_TEMPLATE INCHI_API void INCHI_DECL INCHIGEN_Reset	(	INCHIGEN_HANDLE	HGen,
		INCHIGEN_DATA *	pGenData,
		inchi_Output *	pResults
	)

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INCHIGEN_Setup()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL INCHIGEN_Setup	(	INCHIGEN_HANDLE	HGen,
		INCHIGEN_DATA *	pGenData,
		inchi_Input *	pInp
	)

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MakeINCHIFromMolfileText()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL MakeINCHIFromMolfileText	(	const char *	moltext,
		char *	options,
		inchi_Output *	result
	)

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STDINCHIGEN_Create()

EXPIMP_TEMPLATE INCHI_API INCHIGEN_HANDLE INCHI_DECL STDINCHIGEN_Create

(

void

)

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STDINCHIGEN_Destroy()

EXPIMP_TEMPLATE INCHI_API void INCHI_DECL STDINCHIGEN_Destroy

(

INCHIGEN_HANDLE

HGen

)

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STDINCHIGEN_DoCanonicalization()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL STDINCHIGEN_DoCanonicalization	(	INCHIGEN_HANDLE	HGen,
		INCHIGEN_DATA *	pGenData
	)

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STDINCHIGEN_DoNormalization()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL STDINCHIGEN_DoNormalization	(	INCHIGEN_HANDLE	HGen,
		INCHIGEN_DATA *	pGenData
	)

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STDINCHIGEN_DoSerialization()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL STDINCHIGEN_DoSerialization	(	INCHIGEN_HANDLE	HGen,
		INCHIGEN_DATA *	pGenData,
		inchi_Output *	pResults
	)

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STDINCHIGEN_Reset()

EXPIMP_TEMPLATE INCHI_API void INCHI_DECL STDINCHIGEN_Reset	(	INCHIGEN_HANDLE	HGen,
		INCHIGEN_DATA *	pGenData,
		inchi_Output *	pResults
	)

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STDINCHIGEN_Setup()

EXPIMP_TEMPLATE INCHI_API int INCHI_DECL STDINCHIGEN_Setup	(	INCHIGEN_HANDLE	HGen,
		INCHIGEN_DATA *	pGenData,
		inchi_Input *	pInp
	)

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