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
} |