ichirvr5.c File Reference

#include <string.h>
#include "mode.h"
#include "ichitime.h"
#include "ichicant.h"
#include "ichirvrs.h"
#include "bcf_s.h"

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Macros
#define	INC_ADD_EDGE   64
#define	CHG_SET_WRONG_TAUT_N   0
#define	CHG_SET_WRONG_TAUT_O   1
#define	CHG_SET_WRONG_TAUT_ALL   2
#define	CHG_LAST_SET   2 /* the last index in trying */
#define	CHG_SET_O_FIXED   3
#define	CHG_SET_NUM   4

Functions
int	GetPlusMinusVertex (BN_STRUCT *pBNS, ALL_TC_GROUPS *pTCGroups, int bCheckForbiddenPlus, int bCheckForbiddenMinus)
int	bIsUnsatCarbonInASmallRing (inp_ATOM *at2, VAL_AT *pVA, int iat, BFS_Q *pbfsq, int min_ring_size)
int	FixMobileHRestoredStructure (CANON_GLOBALS *pCG, INCHI_CLOCK *ic, ICHICONST INPUT_PARMS *ip, STRUCT_DATA *sd, BN_STRUCT *pBNS, BN_DATA *pBD, StrFromINChI *pStruct, inp_ATOM *at, inp_ATOM *at2, inp_ATOM *at3, VAL_AT *pVA, ALL_TC_GROUPS *pTCGroups, T_GROUP_INFO **ppt_group_info, inp_ATOM **ppat_norm, inp_ATOM **ppat_prep, INChI *pInChI[], long num_inp, int bHasSomeFixedH, int *pnNumRunBNS, int *pnTotalDelta, int forbidden_edge_mask, int forbidden_stereo_edge_mask)

Macro Definition Documentation

CHG_LAST_SET

#define CHG_LAST_SET   2 /* the last index in trying */

CHG_SET_NUM

#define CHG_SET_NUM   4

CHG_SET_O_FIXED

#define CHG_SET_O_FIXED   3

CHG_SET_WRONG_TAUT_ALL

#define CHG_SET_WRONG_TAUT_ALL   2

CHG_SET_WRONG_TAUT_N

#define CHG_SET_WRONG_TAUT_N   0

CHG_SET_WRONG_TAUT_O

#define CHG_SET_WRONG_TAUT_O   1

INC_ADD_EDGE

#define INC_ADD_EDGE   64

Function Documentation

bIsUnsatCarbonInASmallRing()

int bIsUnsatCarbonInASmallRing	(	inp_ATOM *	at2,
		VAL_AT *	pVA,
		int	iat,
		BFS_Q *	pbfsq,
		int	min_ring_size
	)

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FixMobileHRestoredStructure()

int FixMobileHRestoredStructure	(	CANON_GLOBALS *	pCG,
		INCHI_CLOCK *	ic,
		ICHICONST INPUT_PARMS *	ip,
		STRUCT_DATA *	sd,
		BN_STRUCT *	pBNS,
		BN_DATA *	pBD,
		StrFromINChI *	pStruct,
		inp_ATOM *	at,
		inp_ATOM *	at2,
		inp_ATOM *	at3,
		VAL_AT *	pVA,
		ALL_TC_GROUPS *	pTCGroups,
		T_GROUP_INFO **	ppt_group_info,
		inp_ATOM **	ppat_norm,
		inp_ATOM **	ppat_prep,
		INChI *	pInChI[],
		long	num_inp,
		int	bHasSomeFixedH,
		int *	pnNumRunBNS,
		int *	pnTotalDelta,
		int	forbidden_edge_mask,
		int	forbidden_stereo_edge_mask
	)

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GetPlusMinusVertex()

int GetPlusMinusVertex	(	BN_STRUCT *	pBNS,
		ALL_TC_GROUPS *	pTCGroups,
		int	bCheckForbiddenPlus,
		int	bCheckForbiddenMinus
	)

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