List of all items[−]
Structs
- IXA_ATOMID_STRUCT
- IXA_BONDID_STRUCT
- IXA_INCHIBUILDER_HANDLE_STRUCT
- IXA_INCHIKEYBUILDER_HANDLE_STRUCT
- IXA_MOL_HANDLE_STRUCT
- IXA_POLYMERUNITID_STRUCT
- IXA_STATUS_HANDLE_STRUCT
- IXA_STEREOID_STRUCT
- inchi_InputEx
- inchi_Input_Polymer
- inchi_Input_PolymerUnit
- inchi_Input_V3000
- tagINCHIGEN_DATA
- tagINCHIStereo0D
- tagINCHI_Input
- tagINCHI_InputINCHI
- tagINCHI_Output
- tagINCHI_OutputStruct
- tagINCHI_OutputStructEx
- tagInchiAtom
- tagInchiInpData
- tagNormAtom
- tagNormAtomData
Functions
- CheckINCHI
- CheckINCHIKey
- FreeINCHI
- FreeInChIExtInput
- FreeStdINCHI
- FreeStructFromINCHI
- FreeStructFromINCHIEx
- FreeStructFromStdINCHI
- Free_inchi_Input
- Free_std_inchi_Input
- GetINCHI
- GetINCHIEx
- GetINCHIKeyFromINCHI
- GetINCHIfromINCHI
- GetStdINCHI
- GetStdINCHIKeyFromStdINCHI
- GetStringLength
- GetStructFromINCHI
- GetStructFromINCHIEx
- GetStructFromStdINCHI
- Get_inchi_Input_FromAuxInfo
- Get_std_inchi_Input_FromAuxInfo
- INCHIGEN_Create
- INCHIGEN_Destroy
- INCHIGEN_DoCanonicalization
- INCHIGEN_DoNormalization
- INCHIGEN_DoSerialization
- INCHIGEN_Reset
- INCHIGEN_Setup
- IXA_INCHIBUILDER_CheckOption
- IXA_INCHIBUILDER_CheckOption_Stereo
- IXA_INCHIBUILDER_Create
- IXA_INCHIBUILDER_Destroy
- IXA_INCHIBUILDER_GetAuxInfo
- IXA_INCHIBUILDER_GetInChI
- IXA_INCHIBUILDER_GetInChIEx
- IXA_INCHIBUILDER_GetLog
- IXA_INCHIBUILDER_GetOption_Timeout_MilliSeconds
- IXA_INCHIBUILDER_SetMolecule
- IXA_INCHIBUILDER_SetOption
- IXA_INCHIBUILDER_SetOption_Stereo
- IXA_INCHIBUILDER_SetOption_Timeout
- IXA_INCHIBUILDER_SetOption_Timeout_MilliSeconds
- IXA_INCHIKEYBUILDER_Create
- IXA_INCHIKEYBUILDER_Destroy
- IXA_INCHIKEYBUILDER_GetInChIKey
- IXA_INCHIKEYBUILDER_SetInChI
- IXA_MOL_Clear
- IXA_MOL_Create
- IXA_MOL_CreateAtom
- IXA_MOL_CreateBond
- IXA_MOL_CreatePolymerUnit
- IXA_MOL_CreateStereoAntiRectangle
- IXA_MOL_CreateStereoRectangle
- IXA_MOL_CreateStereoTetrahedron
- IXA_MOL_Destroy
- IXA_MOL_GetAtomAtomicNumber
- IXA_MOL_GetAtomBond
- IXA_MOL_GetAtomCharge
- IXA_MOL_GetAtomElement
- IXA_MOL_GetAtomHydrogens
- IXA_MOL_GetAtomId
- IXA_MOL_GetAtomIndex
- IXA_MOL_GetAtomMass
- IXA_MOL_GetAtomNumBonds
- IXA_MOL_GetAtomRadical
- IXA_MOL_GetAtomX
- IXA_MOL_GetAtomY
- IXA_MOL_GetAtomZ
- IXA_MOL_GetBondAtom1
- IXA_MOL_GetBondAtom2
- IXA_MOL_GetBondId
- IXA_MOL_GetBondIndex
- IXA_MOL_GetBondOtherAtom
- IXA_MOL_GetBondType
- IXA_MOL_GetBondWedge
- IXA_MOL_GetChiral
- IXA_MOL_GetCommonBond
- IXA_MOL_GetDblBondConfig
- IXA_MOL_GetNumAtoms
- IXA_MOL_GetNumBonds
- IXA_MOL_GetNumStereos
- IXA_MOL_GetPolymerUnitId
- IXA_MOL_GetPolymerUnitIndex
- IXA_MOL_GetStereoCentralAtom
- IXA_MOL_GetStereoCentralBond
- IXA_MOL_GetStereoId
- IXA_MOL_GetStereoIndex
- IXA_MOL_GetStereoNumVertices
- IXA_MOL_GetStereoParity
- IXA_MOL_GetStereoTopology
- IXA_MOL_GetStereoVertex
- IXA_MOL_ReadInChI
- IXA_MOL_ReadMolfile
- IXA_MOL_ReserveSpace
- IXA_MOL_SetAtomAtomicNumber
- IXA_MOL_SetAtomCharge
- IXA_MOL_SetAtomElement
- IXA_MOL_SetAtomHydrogens
- IXA_MOL_SetAtomMass
- IXA_MOL_SetAtomRadical
- IXA_MOL_SetAtomX
- IXA_MOL_SetAtomY
- IXA_MOL_SetAtomZ
- IXA_MOL_SetBondType
- IXA_MOL_SetBondWedge
- IXA_MOL_SetChiral
- IXA_MOL_SetDblBondConfig
- IXA_MOL_SetPolymerUnit
- IXA_MOL_SetStereoParity
- IXA_STATUS_Clear
- IXA_STATUS_Create
- IXA_STATUS_Destroy
- IXA_STATUS_GetCount
- IXA_STATUS_GetMessage
- IXA_STATUS_GetSeverity
- IXA_STATUS_HasError
- IXA_STATUS_HasWarning
- MakeINCHIFromMolfileText
- STDINCHIGEN_Create
- STDINCHIGEN_Destroy
- STDINCHIGEN_DoCanonicalization
- STDINCHIGEN_DoNormalization
- STDINCHIGEN_DoSerialization
- STDINCHIGEN_Reset
- STDINCHIGEN_Setup
Typedefs
- AT_NUM
- AT_NUMBR
- INCHIGEN_DATA
- INCHIGEN_HANDLE
- INCHI_MODES
- IXA_ATOMID
- IXA_ATOM_RADICAL
- IXA_BONDID
- IXA_BOND_TYPE
- IXA_BOND_WEDGE
- IXA_BOOL
- IXA_DBLBOND_CONFIG
- IXA_INCHIBUILDER_HANDLE
- IXA_INCHIBUILDER_OPTION
- IXA_INCHIBUILDER_STEREOOPTION
- IXA_INCHIKEYBUILDER_HANDLE
- IXA_MOL_HANDLE
- IXA_POLYMERUNITID
- IXA_STATUS
- IXA_STATUS_HANDLE
- IXA_STEREOID
- IXA_STEREO_PARITY
- IXA_STEREO_TOPOLOGY
- InchiInpData
- NORM_ATOM
- NORM_ATOMS
- NUM_HS
- S_CHAR
- S_SHORT
- U_CHAR
- U_SHORT
- inchi_Atom
- inchi_Input
- inchi_InputINCHI
- inchi_Output
- inchi_OutputStruct
- inchi_OutputStructEx
- inchi_Output_Polymer
- inchi_Output_PolymerUnit
- inchi_Output_V3000
- inchi_Stereo0D
- tagINCHIBondStereo2D
- tagINCHIBondType
- tagINCHIRadical
- tagINCHIStereoParity0D
- tagINCHIStereoType0D
- tagRetValCheckINCHI
- tagRetValGetINCHI
- tagRetValGetINCHIKey
- tagRetValMOL2INCHI
Constants
- ATOM_EL_LEN
- FIND_RING_SYSTEMS
- FIND_RINS_SYSTEMS_DISTANCES
- FIX_DOCANON_RETCODE_RESET_BUG
- INCHIKEY_EMPTY_INPUT
- INCHIKEY_INVALID_INCHI
- INCHIKEY_INVALID_INCHI_PREFIX
- INCHIKEY_INVALID_STD_INCHI
- INCHIKEY_NOT_ENOUGH_MEMORY
- INCHIKEY_OK
- INCHIKEY_UNKNOWN_ERROR
- INCHI_NUM
- INCHI_STRING_PREFIX
- ISOTOPIC_SHIFT_FLAG
- ISOTOPIC_SHIFT_MAX
- IXA_ATOM_NATURAL_MASS
- IXA_ATOM_RADICAL_IXA_ATOM_RADICAL_DOUBLET
- IXA_ATOM_RADICAL_IXA_ATOM_RADICAL_NONE
- IXA_ATOM_RADICAL_IXA_ATOM_RADICAL_SINGLET
- IXA_ATOM_RADICAL_IXA_ATOM_RADICAL_TRIPLET
- IXA_BOND_TYPE_IXA_BOND_TYPE_AROMATIC
- IXA_BOND_TYPE_IXA_BOND_TYPE_DOUBLE
- IXA_BOND_TYPE_IXA_BOND_TYPE_SINGLE
- IXA_BOND_TYPE_IXA_BOND_TYPE_TRIPLE
- IXA_BOND_WEDGE_IXA_BOND_WEDGE_DOWN
- IXA_BOND_WEDGE_IXA_BOND_WEDGE_EITHER
- IXA_BOND_WEDGE_IXA_BOND_WEDGE_NONE
- IXA_BOND_WEDGE_IXA_BOND_WEDGE_UP
- IXA_BOOL_IXA_FALSE
- IXA_BOOL_IXA_TRUE
- IXA_DBLBOND_CONFIG_IXA_DBLBOND_CONFIG_EITHER
- IXA_DBLBOND_CONFIG_IXA_DBLBOND_CONFIG_PERCEIVE
- IXA_EXT_MOLDATA_INVALID
- IXA_EXT_POLYMER_INVALID
- IXA_EXT_V3000_INVALID
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_15T
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_AuxNone
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_DoNotAddH
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_FilterSS
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_FixedH
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_FoldCRU
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_InvFilterSS
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_KET
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_LargeMolecules
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_LooseTSACheck
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_NPZZ
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_NewPsOff
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_NoEdits
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_NoFrameShift
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_NoWarnings
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_OutErrInChI
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_Polymers
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_Polymers105
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_Polymers105Plus
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_RecMet
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_SATZZ
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_SLUUD
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_SUU
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_SaveOpt
- IXA_INCHIBUILDER_OPTION_IXA_INCHIBUILDER_OPTION_WarnOnEmptyStructure
- IXA_INCHIBUILDER_STEREOOPTION_IXA_INCHIBUILDER_STEREOOPTION_SAbs
- IXA_INCHIBUILDER_STEREOOPTION_IXA_INCHIBUILDER_STEREOOPTION_SNon
- IXA_INCHIBUILDER_STEREOOPTION_IXA_INCHIBUILDER_STEREOOPTION_SRac
- IXA_INCHIBUILDER_STEREOOPTION_IXA_INCHIBUILDER_STEREOOPTION_SRel
- IXA_INCHIBUILDER_STEREOOPTION_IXA_INCHIBUILDER_STEREOOPTION_SUCF
- IXA_STATUS_IXA_STATUS_ERROR
- IXA_STATUS_IXA_STATUS_SUCCESS
- IXA_STATUS_IXA_STATUS_WARNING
- IXA_STEREO_PARITY_IXA_STEREO_PARITY_EVEN
- IXA_STEREO_PARITY_IXA_STEREO_PARITY_NONE
- IXA_STEREO_PARITY_IXA_STEREO_PARITY_ODD
- IXA_STEREO_PARITY_IXA_STEREO_PARITY_UNKNOWN
- IXA_STEREO_TOPOLOGY_IXA_STEREO_TOPOLOGY_ANTIRECTANGLE
- IXA_STEREO_TOPOLOGY_IXA_STEREO_TOPOLOGY_INVALID
- IXA_STEREO_TOPOLOGY_IXA_STEREO_TOPOLOGY_RECTANGLE
- IXA_STEREO_TOPOLOGY_IXA_STEREO_TOPOLOGY_TETRAHEDRON
- IXA_USES_SMART_ALLOCS
- LEN_INCHI_STRING_PREFIX
- MAXVAL
- MAX_NUM_STEREO_ATOM_NEIGH
- MAX_NUM_STEREO_BONDS
- NO_ATOM
- NUM_H_ISOTOPES
- STR_ERR_LEN
- tagINCHIBondStereo2D_INCHI_BOND_STEREO_DOUBLE_EITHER
- tagINCHIBondStereo2D_INCHI_BOND_STEREO_NONE
- tagINCHIBondStereo2D_INCHI_BOND_STEREO_SINGLE_1DOWN
- tagINCHIBondStereo2D_INCHI_BOND_STEREO_SINGLE_1EITHER
- tagINCHIBondStereo2D_INCHI_BOND_STEREO_SINGLE_1UP
- tagINCHIBondStereo2D_INCHI_BOND_STEREO_SINGLE_2DOWN
- tagINCHIBondStereo2D_INCHI_BOND_STEREO_SINGLE_2EITHER
- tagINCHIBondStereo2D_INCHI_BOND_STEREO_SINGLE_2UP
- tagINCHIBondType_INCHI_BOND_TYPE_ALTERN
- tagINCHIBondType_INCHI_BOND_TYPE_DOUBLE
- tagINCHIBondType_INCHI_BOND_TYPE_NONE
- tagINCHIBondType_INCHI_BOND_TYPE_SINGLE
- tagINCHIBondType_INCHI_BOND_TYPE_TRIPLE
- tagINCHIRadical_INCHI_RADICAL_DOUBLET
- tagINCHIRadical_INCHI_RADICAL_NONE
- tagINCHIRadical_INCHI_RADICAL_SINGLET
- tagINCHIRadical_INCHI_RADICAL_TRIPLET
- tagINCHIStereoParity0D_INCHI_PARITY_EVEN
- tagINCHIStereoParity0D_INCHI_PARITY_NONE
- tagINCHIStereoParity0D_INCHI_PARITY_ODD
- tagINCHIStereoParity0D_INCHI_PARITY_UNDEFINED
- tagINCHIStereoParity0D_INCHI_PARITY_UNKNOWN
- tagINCHIStereoType0D_INCHI_StereoType_Allene
- tagINCHIStereoType0D_INCHI_StereoType_DoubleBond
- tagINCHIStereoType0D_INCHI_StereoType_None
- tagINCHIStereoType0D_INCHI_StereoType_Tetrahedral
- tagRetValCheckINCHI_INCHI_FAIL_I2I
- tagRetValCheckINCHI_INCHI_INVALID_LAYOUT
- tagRetValCheckINCHI_INCHI_INVALID_PREFIX
- tagRetValCheckINCHI_INCHI_INVALID_VERSION
- tagRetValCheckINCHI_INCHI_VALID_BETA
- tagRetValCheckINCHI_INCHI_VALID_NON_STANDARD
- tagRetValCheckINCHI_INCHI_VALID_STANDARD
- tagRetValGetINCHIKey_INCHIKEY_INVALID_LAYOUT
- tagRetValGetINCHIKey_INCHIKEY_INVALID_LENGTH
- tagRetValGetINCHIKey_INCHIKEY_INVALID_VERSION
- tagRetValGetINCHIKey_INCHIKEY_VALID_NON_STANDARD
- tagRetValGetINCHIKey_INCHIKEY_VALID_STANDARD
- tagRetValGetINCHI_inchi_Ret_BREAK
- tagRetValGetINCHI_inchi_Ret_BUSY
- tagRetValGetINCHI_inchi_Ret_EOF
- tagRetValGetINCHI_inchi_Ret_ERROR
- tagRetValGetINCHI_inchi_Ret_FATAL
- tagRetValGetINCHI_inchi_Ret_OKAY
- tagRetValGetINCHI_inchi_Ret_SKIP
- tagRetValGetINCHI_inchi_Ret_UNKNOWN
- tagRetValGetINCHI_inchi_Ret_WARNING
- tagRetValMOL2INCHI_mol2inchi_Ret_EOF
- tagRetValMOL2INCHI_mol2inchi_Ret_ERROR
- tagRetValMOL2INCHI_mol2inchi_Ret_ERROR_comp
- tagRetValMOL2INCHI_mol2inchi_Ret_ERROR_get
- tagRetValMOL2INCHI_mol2inchi_Ret_OKAY
- tagRetValMOL2INCHI_mol2inchi_Ret_WARNING