ichimap4.c File Reference

#include <string.h>
#include "mode.h"
#include "ichicomn.h"
#include "bcf_s.h"

Include dependency graph for ichimap4.c:

Macros
#define	SB_DEPTH   6

Functions
int	map_stereo_bonds4 (struct tagINCHI_CLOCK *ic, CANON_GLOBALS *pCG, sp_ATOM *at, int num_atoms, int num_at_tg, int num_max, int bAllene, const AT_RANK *nCanonRankFrom, const AT_RANK *nAtomNumberCanonFrom, AT_RANK *nCanonRankTo, const AT_RANK *nSymmRank, AT_RANK **pRankStack1, AT_RANK **pRankStack2, AT_RANK *nTempRank, int nNumMappedRanksInput, AT_RANK *nSymmStereo, NEIGH_LIST *NeighList, CANON_STAT *pCS, CUR_TREE *cur_tree, int nNumMappedBonds, int vABParityUnknown)
int	map_stereo_atoms4 (struct tagINCHI_CLOCK *ic, CANON_GLOBALS *pCG, sp_ATOM *at, int num_atoms, int num_at_tg, int num_max, const AT_RANK *nCanonRankFrom, const AT_RANK *nAtomNumberCanonFrom, AT_RANK *nCanonRankTo, const AT_RANK *nSymmRank, AT_RANK **pRankStack1, AT_RANK **pRankStack2, AT_RANK *nTempRank, int nNumMappedRanksInput, AT_RANK *nSymmStereo, NEIGH_LIST *NeighList, CANON_STAT *pCS, CUR_TREE *cur_tree, int nNumMappedAtoms, int vABParityUnknown)

Macro Definition Documentation

SB_DEPTH

#define SB_DEPTH   6

Function Documentation

map_stereo_atoms4()

int map_stereo_atoms4	(	struct tagINCHI_CLOCK *	ic,
		CANON_GLOBALS *	pCG,
		sp_ATOM *	at,
		int	num_atoms,
		int	num_at_tg,
		int	num_max,
		const AT_RANK *	nCanonRankFrom,
		const AT_RANK *	nAtomNumberCanonFrom,
		AT_RANK *	nCanonRankTo,
		const AT_RANK *	nSymmRank,
		AT_RANK **	pRankStack1,
		AT_RANK **	pRankStack2,
		AT_RANK *	nTempRank,
		int	nNumMappedRanksInput,
		AT_RANK *	nSymmStereo,
		NEIGH_LIST *	NeighList,
		CANON_STAT *	pCS,
		CUR_TREE *	cur_tree,
		int	nNumMappedAtoms,
		int	vABParityUnknown
	)

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map_stereo_bonds4()

int map_stereo_bonds4	(	struct tagINCHI_CLOCK *	ic,
		CANON_GLOBALS *	pCG,
		sp_ATOM *	at,
		int	num_atoms,
		int	num_at_tg,
		int	num_max,
		int	bAllene,
		const AT_RANK *	nCanonRankFrom,
		const AT_RANK *	nAtomNumberCanonFrom,
		AT_RANK *	nCanonRankTo,
		const AT_RANK *	nSymmRank,
		AT_RANK **	pRankStack1,
		AT_RANK **	pRankStack2,
		AT_RANK *	nTempRank,
		int	nNumMappedRanksInput,
		AT_RANK *	nSymmStereo,
		NEIGH_LIST *	NeighList,
		CANON_STAT *	pCS,
		CUR_TREE *	cur_tree,
		int	nNumMappedBonds,
		int	vABParityUnknown
	)

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