ichiparm.c File Reference

#include <stdlib.h>
#include <string.h>
#include <ctype.h>
#include <errno.h>
#include <limits.h>
#include "mode.h"
#include "incomdef.h"
#include "ichidrp.h"
#include "inpdef.h"
#include "ichi.h"
#include "strutil.h"
#include "util.h"
#include "ichierr.h"
#include "ichimain.h"
#include "extr_ct.h"
#include "ichicomp.h"
#include "ichi_io.h"
#include "bcf_s.h"

Include dependency graph for ichiparm.c:

Macros
#define	_POSIX_C_SOURCE   200809L
#define	VER103_DEFAULT_MODE
#define	fprintf2   inchi_fprintf
#define	NUM_VERSIONS   7
#define	LEN_VERSIONS   64

Functions
int	DetectInputINChIFileType (FILE **inp_file, INPUT_PARMS *ip, const char *fmode)
int	set_common_options_by_parg (const char *pArg, int developer_options, INPUT_PARMS *ip, INCHI_MODE *pbVer1DefaultMode, int *pnMode, int *pbINChIOutputOptions, int *pbINChIOutputOptions2, int *pbStdFormat, int *pbHashKey, int *pbHashXtra1, int *pbHashXtra2, int *pbFixSp3bug, int *pbFixFB2, int *pbAddPhosphineStereo, int *pbAddArsineStereo, int *pbNoStructLabels, int *pbPointedEdgeStereo, int *pbDoNotAddH, int *pbForcedChiralFlag, int *pbReconnectCoord, int *pbKetoEnolTaut, int *pb15TautNonRing, int *pbPT_06_00_Taut, int *pbPT_13_00_Taut, int *pbPT_16_00_Taut, int *pbPT_18_00_Taut, int *pbPT_22_00_Taut, int *pbPT_39_00_Taut, int *pbLooseTSACheck, int *pbLargeMolecules, int *pbPolymers, int *pbFoldPolymerSRU, int *pbFrameShiftScheme, int *pbStereoAtZz, int *pbNPZz, int *pbNoWarnings, int *pbMergeHash, int *pbHideInChI)
int	ReadCommandLineParms (int argc, const char *argv[], INPUT_PARMS *ip, char *szSdfDataValue, unsigned long *ulDisplTime, int bReleaseVersion, INCHI_IOSTREAM *log_file)
int	PrintInputParms (INCHI_IOSTREAM *log_file, INPUT_PARMS *ip)
void	HelpCommandLineParms (INCHI_IOSTREAM *f)
int	OpenFiles (FILE **inp_file, FILE **out_file, FILE **log_file, FILE **prb_file, INPUT_PARMS *ip)
static int	bMatchOnePrefix (int len, char *str, int lenPrefix[], char strPrefix[][LEN_VERSIONS], int numPrefix)

Macro Definition Documentation

_POSIX_C_SOURCE

#define _POSIX_C_SOURCE   200809L

fprintf2

#define fprintf2   inchi_fprintf

LEN_VERSIONS

#define LEN_VERSIONS   64

NUM_VERSIONS

#define NUM_VERSIONS   7

VER103_DEFAULT_MODE

#define VER103_DEFAULT_MODE

Value:

                                (REQ_MODE_TAUT | REQ_MODE_ISO | REQ_MODE_STEREO |\
                                REQ_MODE_SB_IGN_ALL_UU | REQ_MODE_SC_IGN_ALL_UU)

Function Documentation

bMatchOnePrefix()

static int bMatchOnePrefix ( int  len, char *  str, int  lenPrefix[], char  strPrefix[][LEN_VERSIONS], int  numPrefix  )

static

Here is the caller graph for this function:

DetectInputINChIFileType()

int DetectInputINChIFileType	(	FILE **	inp_file,
		INPUT_PARMS *	ip,
		const char *	fmode
	)

Here is the call graph for this function:

Here is the caller graph for this function:

HelpCommandLineParms()

void HelpCommandLineParms

(

INCHI_IOSTREAM *

f

)

Here is the call graph for this function:

Here is the caller graph for this function:

OpenFiles()

int OpenFiles	(	FILE **	inp_file,
		FILE **	out_file,
		FILE **	log_file,
		FILE **	prb_file,
		INPUT_PARMS *	ip
	)

Here is the call graph for this function:

PrintInputParms()

int PrintInputParms	(	INCHI_IOSTREAM *	log_file,
		INPUT_PARMS *	ip
	)

Here is the call graph for this function:

Here is the caller graph for this function:

ReadCommandLineParms()

int ReadCommandLineParms	(	int	argc,
		const char *	argv[],
		INPUT_PARMS *	ip,
		char *	szSdfDataValue,
		unsigned long *	ulDisplTime,
		int	bReleaseVersion,
		INCHI_IOSTREAM *	log_file
	)

Here is the call graph for this function:

Here is the caller graph for this function:

set_common_options_by_parg()

int set_common_options_by_parg	(	const char *	pArg,
		int	developer_options,
		INPUT_PARMS *	ip,
		INCHI_MODE *	pbVer1DefaultMode,
		int *	pnMode,
		int *	pbINChIOutputOptions,
		int *	pbINChIOutputOptions2,
		int *	pbStdFormat,
		int *	pbHashKey,
		int *	pbHashXtra1,
		int *	pbHashXtra2,
		int *	pbFixSp3bug,
		int *	pbFixFB2,
		int *	pbAddPhosphineStereo,
		int *	pbAddArsineStereo,
		int *	pbNoStructLabels,
		int *	pbPointedEdgeStereo,
		int *	pbDoNotAddH,
		int *	pbForcedChiralFlag,
		int *	pbReconnectCoord,
		int *	pbKetoEnolTaut,
		int *	pb15TautNonRing,
		int *	pbPT_06_00_Taut,
		int *	pbPT_13_00_Taut,
		int *	pbPT_16_00_Taut,
		int *	pbPT_18_00_Taut,
		int *	pbPT_22_00_Taut,
		int *	pbPT_39_00_Taut,
		int *	pbLooseTSACheck,
		int *	pbLargeMolecules,
		int *	pbPolymers,
		int *	pbFoldPolymerSRU,
		int *	pbFrameShiftScheme,
		int *	pbStereoAtZz,
		int *	pbNPZz,
		int *	pbNoWarnings,
		int *	pbMergeHash,
		int *	pbHideInChI
	)

Here is the call graph for this function:

Here is the caller graph for this function: