InChI
 
Loading...
Searching...
No Matches
inchicmp.h File Reference
+ This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Data Structures

struct  tagCompareInchiMsg
 
struct  tagCompareInchiMsgGroup
 

Macros

#define INCHIDIFF_SB   (INCHIDIFF_SB_PARITY | INCHIDIFF_SB_EXTRA_UNDF | INCHIDIFF_SB_EXTRA | INCHIDIFF_SB_MISS_UNDF | INCHIDIFF_SB_MISS)
 
#define INCHIDIFF_SC   (INCHIDIFF_SC_PARITY | INCHIDIFF_SC_EXTRA_UNDF | INCHIDIFF_SC_EXTRA | INCHIDIFF_SC_MISS_UNDF | INCHIDIFF_SC_MISS)
 
#define INCHIDIFF_CONSTIT
 
#define INCHIDIFF_STEREO
 

Typedefs

typedef enum tagInchiCompareDiffBits INCHIDIFF
 
typedef enum tagtagCompareInchiMsgGroupID CMP_INCHI_MSG_GROUP_ID
 
typedef struct tagCompareInchiMsg CMP_INCHI_MSG
 
typedef struct tagCompareInchiMsgGroup CMP_INCHI_MSG_GROUP
 

Enumerations

enum  tagInchiCompareDiffBits {
  INCHIDIFF_ZERO = 0x00000000 , INCHIDIFF_PROBLEM = 0x00000001 , INCHIDIFF_NUM_AT = 0x00000001 , INCHIDIFF_ATOMS = 0x00000001 ,
  INCHIDIFF_NUM_EL = 0x00000001 , INCHIDIFF_CON_LEN = 0x00000001 , INCHIDIFF_CON_TBL = 0x00000001 , INCHIDIFF_POSITION_H = 0x00000002 ,
  INCHIDIFF_MORE_FH = 0x00000004 , INCHIDIFF_LESS_FH = 0x00000004 , INCHIDIFF_MORE_H = 0x00000008 , INCHIDIFF_LESS_H = 0x00000008 ,
  INCHIDIFF_NO_TAUT = 0x00000010 , INCHIDIFF_WRONG_TAUT = 0x00000020 , INCHIDIFF_SINGLE_TG = 0x00000040 , INCHIDIFF_MULTIPLE_TG = 0x00000080 ,
  INCHIDIFF_EXTRA_TG_ENDP = 0x00000100 , INCHIDIFF_MISS_TG_ENDP = 0x00000100 , INCHIDIFF_DIFF_TG_ENDP = 0x00000100 , INCHIDIFF_NUM_TG = 0x00000200 ,
  INCHIDIFF_TG = 0x00000200 , INCHIDIFF_NUM_ISO_AT = 0x00000400 , INCHIDIFF_ISO_AT = 0x00000400 , INCHIDIFF_REM_ISO_H = 0x00000800 ,
  INCHIDIFF_MOB_ISO_H = 0x00001000 , INCHIDIFF_CHARGE = 0x00002000 , INCHIDIFF_REM_PROT = 0x00004000 , INCHIDIFF_MOBH_PROTONS = 0x00008000 ,
  INCHIDIFF_SC_INV = 0x00010000 , INCHIDIFF_SC_PARITY = 0x00020000 , INCHIDIFF_SC_EXTRA_UNDF = 0x00040000 , INCHIDIFF_SC_EXTRA = 0x00080000 ,
  INCHIDIFF_SC_MISS_UNDF = 0x00100000 , INCHIDIFF_SC_MISS = 0x00200000 , INCHIDIFF_SB_PARITY = 0x00400000 , INCHIDIFF_SB_EXTRA_UNDF = 0x00800000 ,
  INCHIDIFF_SB_EXTRA = 0x01000000 , INCHIDIFF_SB_MISS_UNDF = 0x02000000 , INCHIDIFF_SB_MISS = 0x04000000 , INCHIDIFF_COMP_HLAYER = 0x08000000 ,
  INCHIDIFF_COMP_NUMBER = 0x10000000 , INCHIDIFF_STR2INCHI_ERR = 0x20000000
}
 
enum  tagtagCompareInchiMsgGroupID {
  IDGRP_ZERO = 0 , IDGRP_ERR = 1 , IDGRP_H = 2 , IDGRP_MOB_GRP = 3 ,
  IDGRP_ISO_AT = 4 , IDGRP_CHARGE = 5 , IDGRP_PROTONS = 6 , IDGRP_ISO_H = 7 ,
  IDGRP_SC = 8 , IDGRP_SB = 9 , IDGRP_HLAYER = 10 , IDGRP_COMP = 11 ,
  IDGRP_CONV_ERR = 12
}
 

Macro Definition Documentation

◆ INCHIDIFF_CONSTIT

#define INCHIDIFF_CONSTIT
Value:
@ INCHIDIFF_WRONG_TAUT
Definition inchicmp.h:60
@ INCHIDIFF_POSITION_H
Definition inchicmp.h:54
@ INCHIDIFF_MORE_FH
Definition inchicmp.h:55
@ INCHIDIFF_DIFF_TG_ENDP
Definition inchicmp.h:65
@ INCHIDIFF_EXTRA_TG_ENDP
Definition inchicmp.h:63
@ INCHIDIFF_REM_ISO_H
Definition inchicmp.h:70
@ INCHIDIFF_SINGLE_TG
Definition inchicmp.h:61
@ INCHIDIFF_LESS_H
Definition inchicmp.h:58
@ INCHIDIFF_REM_PROT
Definition inchicmp.h:73
@ INCHIDIFF_LESS_FH
Definition inchicmp.h:56
@ INCHIDIFF_NUM_ISO_AT
Definition inchicmp.h:68
@ INCHIDIFF_ISO_AT
Definition inchicmp.h:69
@ INCHIDIFF_NO_TAUT
Definition inchicmp.h:59
@ INCHIDIFF_MULTIPLE_TG
Definition inchicmp.h:62
@ INCHIDIFF_TG
Definition inchicmp.h:67
@ INCHIDIFF_MORE_H
Definition inchicmp.h:57
@ INCHIDIFF_CHARGE
Definition inchicmp.h:72
@ INCHIDIFF_MISS_TG_ENDP
Definition inchicmp.h:64
@ INCHIDIFF_NUM_TG
Definition inchicmp.h:66

◆ INCHIDIFF_SB

◆ INCHIDIFF_SC

◆ INCHIDIFF_STEREO

#define INCHIDIFF_STEREO
Value:
@ INCHIDIFF_SB_EXTRA_UNDF
Definition inchicmp.h:82
@ INCHIDIFF_SC_INV
Definition inchicmp.h:75
@ INCHIDIFF_SB_MISS
Definition inchicmp.h:85
@ INCHIDIFF_SB_MISS_UNDF
Definition inchicmp.h:84
@ INCHIDIFF_SB_PARITY
Definition inchicmp.h:81
@ INCHIDIFF_SC_EXTRA
Definition inchicmp.h:78
@ INCHIDIFF_SC_MISS
Definition inchicmp.h:80
@ INCHIDIFF_SC_EXTRA_UNDF
Definition inchicmp.h:77
@ INCHIDIFF_SC_PARITY
Definition inchicmp.h:76
@ INCHIDIFF_SC_MISS_UNDF
Definition inchicmp.h:79
@ INCHIDIFF_SB_EXTRA
Definition inchicmp.h:83

Typedef Documentation

◆ CMP_INCHI_MSG

◆ CMP_INCHI_MSG_GROUP

◆ CMP_INCHI_MSG_GROUP_ID

◆ INCHIDIFF

Enumeration Type Documentation

◆ tagInchiCompareDiffBits

Enumerator
INCHIDIFF_ZERO 
INCHIDIFF_PROBLEM 
INCHIDIFF_NUM_AT 
INCHIDIFF_ATOMS 
INCHIDIFF_NUM_EL 
INCHIDIFF_CON_LEN 
INCHIDIFF_CON_TBL 
INCHIDIFF_POSITION_H 
INCHIDIFF_MORE_FH 
INCHIDIFF_LESS_FH 
INCHIDIFF_MORE_H 
INCHIDIFF_LESS_H 
INCHIDIFF_NO_TAUT 
INCHIDIFF_WRONG_TAUT 
INCHIDIFF_SINGLE_TG 
INCHIDIFF_MULTIPLE_TG 
INCHIDIFF_EXTRA_TG_ENDP 
INCHIDIFF_MISS_TG_ENDP 
INCHIDIFF_DIFF_TG_ENDP 
INCHIDIFF_NUM_TG 
INCHIDIFF_TG 
INCHIDIFF_NUM_ISO_AT 
INCHIDIFF_ISO_AT 
INCHIDIFF_REM_ISO_H 
INCHIDIFF_MOB_ISO_H 
INCHIDIFF_CHARGE 
INCHIDIFF_REM_PROT 
INCHIDIFF_MOBH_PROTONS 
INCHIDIFF_SC_INV 
INCHIDIFF_SC_PARITY 
INCHIDIFF_SC_EXTRA_UNDF 
INCHIDIFF_SC_EXTRA 
INCHIDIFF_SC_MISS_UNDF 
INCHIDIFF_SC_MISS 
INCHIDIFF_SB_PARITY 
INCHIDIFF_SB_EXTRA_UNDF 
INCHIDIFF_SB_EXTRA 
INCHIDIFF_SB_MISS_UNDF 
INCHIDIFF_SB_MISS 
INCHIDIFF_COMP_HLAYER 
INCHIDIFF_COMP_NUMBER 
INCHIDIFF_STR2INCHI_ERR 

◆ tagtagCompareInchiMsgGroupID

Enumerator
IDGRP_ZERO 
IDGRP_ERR 
IDGRP_H 
IDGRP_MOB_GRP 
IDGRP_ISO_AT 
IDGRP_CHARGE 
IDGRP_PROTONS 
IDGRP_ISO_H 
IDGRP_SC 
IDGRP_SB 
IDGRP_HLAYER 
IDGRP_COMP 
IDGRP_CONV_ERR