ichiprt2.c File Reference

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

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Macros
#define	INIT_MIN_NUM_H   (-4)
#define	INIT_MAX_NUM_H   16
#define	INIT_LEN_NUM_H   (INIT_MAX_NUM_H - INIT_MIN_NUM_H + 1)
#define	ALPHA_MINUS   '-'
#define	ALPHA_ZERO_VAL   '.'
#define	ALPHA_ONE   'a'
#define	ALPHA_ZERO   '@'
#define	__MYTOLOWER(c)   ( ((c) >= 'A') && ((c) <= 'Z') ? ((c) - 'A' + 'a') : (c) )
#define	DECIMAL_BASE   10
#define	DECIMAL_MINUS   '-'
#define	DECIMAL_ZERO_VAL   '0'
#define	DECIMAL_ONE   '1'
#define	DECIMAL_ZERO   '0'

Functions
int	Eql_INChI_Stereo (INChI_Stereo *s1, int eql1, INChI_Stereo *s2, int eql2, int bRelRac)
int	Eql_INChI_Isotopic (INChI *i1, INChI *i2)
int	Eql_INChI_Aux_Equ (INChI_Aux *a1, int eql1, INChI_Aux *a2, int eql2)
int	Eql_INChI_Aux_Num (INChI_Aux *a1, int eql1, INChI_Aux *a2, int eql2)
int	bHasOrigInfo (ORIG_INFO *OrigInfo, int num_atoms)
int	EqlOrigInfo (INChI_Aux *a1, INChI_Aux *a2)
int	bHasEquString (AT_NUMB *LinearCT, int nLenCT)
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	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	MakeHString (int bAddDelim, S_CHAR *LinearCT, int nLenCT, 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	MakeCRVString (ORIG_INFO *OrigInfo, 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 *strbuf, int nCtMode, int *bOverflow)
int	MakeAbcNumber (char *szString, int nStringLen, const char *szLeadingDelim, int nValue)
static long	abctol (const char *szString, char **q)
long	inchi_strtol (const char *str, const char **p, int base)
	Convert string to long integer.
double	inchi_strtod (const char *str, const char **p)
	Convert string to double.
int	MakeDecNumber (char *szString, int nStringLen, const char *szLeadingDelim, int nValue)
void	print_sequence_of_nums_compressing_ranges (int n, int *num, INCHI_IOS_STRING *strbuf)

Macro Definition Documentation

__MYTOLOWER

#define __MYTOLOWER

(

c

)

( ((c) >= 'A') && ((c) <= 'Z') ? ((c) - 'A' + 'a') : (c) )

ALPHA_MINUS

#define ALPHA_MINUS   '-'

ALPHA_ONE

#define ALPHA_ONE   'a'

ALPHA_ZERO

#define ALPHA_ZERO   '@'

ALPHA_ZERO_VAL

#define ALPHA_ZERO_VAL   '.'

DECIMAL_BASE

#define DECIMAL_BASE   10

DECIMAL_MINUS

#define DECIMAL_MINUS   '-'

DECIMAL_ONE

#define DECIMAL_ONE   '1'

DECIMAL_ZERO

#define DECIMAL_ZERO   '0'

DECIMAL_ZERO_VAL

#define DECIMAL_ZERO_VAL   '0'

INIT_LEN_NUM_H

#define INIT_LEN_NUM_H   (INIT_MAX_NUM_H - INIT_MIN_NUM_H + 1)

INIT_MAX_NUM_H

#define INIT_MAX_NUM_H   16

INIT_MIN_NUM_H

#define INIT_MIN_NUM_H   (-4)

Function Documentation

abctol()

long abctol ( const char *  szString, char **  q  )

static

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bHasEquString()

int bHasEquString	(	AT_NUMB *	LinearCT,
		int	nLenCT
	)

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bHasOrigInfo()

int bHasOrigInfo	(	ORIG_INFO *	OrigInfo,
		int	num_atoms
	)

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Eql_INChI_Aux_Equ()

int Eql_INChI_Aux_Equ	(	INChI_Aux *	a1,
		int	eql1,
		INChI_Aux *	a2,
		int	eql2
	)

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Eql_INChI_Aux_Num()

int Eql_INChI_Aux_Num	(	INChI_Aux *	a1,
		int	eql1,
		INChI_Aux *	a2,
		int	eql2
	)

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Eql_INChI_Isotopic()

int Eql_INChI_Isotopic	(	INChI *	i1,
		INChI *	i2
	)

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Eql_INChI_Stereo()

int Eql_INChI_Stereo	(	INChI_Stereo *	s1,
		int	eql1,
		INChI_Stereo *	s2,
		int	eql2,
		int	bRelRac
	)

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EqlOrigInfo()

int EqlOrigInfo	(	INChI_Aux *	a1,
		INChI_Aux *	a2
	)

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inchi_strtod()

double inchi_strtod	(	const char *	str,
		const char **	p
	)

Convert string to double.

Parameters

str	Pointer to the input string
p	Pointer to the position where conversion stopped

Returns

double Converted value

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inchi_strtol()

long inchi_strtol	(	const char *	str,
		const char **	p,
		int	base
	)

Convert string to long integer.

Parameters

str	Pointer to the input string
p	Pointer to the position where conversion stopped
base	Base for conversion

Returns

long Converted value

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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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MakeHString()

int MakeHString	(	int	bAddDelim,
		S_CHAR *	LinearCT,
		int	nLenCT,
		INCHI_IOS_STRING *	strbuf,
		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 *	strbuf,
		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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print_sequence_of_nums_compressing_ranges()

void print_sequence_of_nums_compressing_ranges	(	int	n,
		int *	num,
		INCHI_IOS_STRING *	strbuf
	)

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