InChI
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Data Structures
Here are the data structures with brief descriptions:
C
A_MOL_FMT_ATOM
Data structure for atom representation in the MOL format
C
A_MOL_FMT_BOND
Data structure for bond representation in the MOL format
C
A_MOL_FMT_CTAB
Connection table data structure
C
A_MOL_FMT_DATA
Data structure for a MOL file
C
A_MOL_FMT_HEADER_BLOCK
Data structure for MOL file header block (3 lines)
C
A_MOL_FMT_SGROUP
Data structure for Sgroup data (substance group data)
C
A_MOL_FMT_SGROUPS
MOL_FMT_SGROUPS is a dynamically growing array of pointers to MOL_FMT_SGROUP objects
C
A_MOL_FMT_v3000
Data structure for V3000 representation in the MOL format
C
A_NUM_LISTS
NUM_LISTS - Dynamically growing array of numeric lists
C
AtData
C
BalancedNetworkData
C
BalancedNetworkStructure
C
BN_AtomsAtTautGroup
C
BnsAltPath
C
BnsEdge
C
BnsStEdge
C
BnsVertex
C
BuilderMolecule
C
inchi_Input_Polymer
C
inchi_Input_PolymerUnit
C
inchi_Input_V3000
C
inchi_InputEx
C
INCHIBUILDER
C
INCHIKEYBUILDER
C
INCHIMOL
C
INCHIMOL_ATOM
C
INCHIMOL_BOND
C
INCHIMOL_POLYMER
C
INCHIMOL_SGROUP
C
INCHIMOL_STEREO
C
INCHIMOL_V3000
C
INCHISTATUS
C
IXA_ATOMID_STRUCT
C
IXA_BONDID_STRUCT
C
IXA_INCHIBUILDER_HANDLE_STRUCT
C
IXA_INCHIKEYBUILDER_HANDLE_STRUCT
C
IXA_MOL_HANDLE_STRUCT
C
IXA_POLYMERUNITID_STRUCT
C
IXA_STATUS_HANDLE_STRUCT
C
IXA_STEREOID_STRUCT
C
OAD_AtProps
C
OAD_Polymer
C
OAD_PolymerUnit
C
OAD_V3000
C
ReadINCHI_CtlData
C
sha2_context
SHA-256 context structure
C
StatusBlockTag
C
StatusItem
C
subgraf
C
subgraf_edge
C
subgraf_pathfinder
C
tagAllTCGroups
C
tagAltPathChanges
C
tagAtData_dch
C
tagAtom
C
tagAtomInvariant
C
tagAtomInvariant2
C
tagAtomInvariantBytes
C
tagAtomIonPrperies
C
tagAtomParmsForDrawing
C
tagAtomsCmpTwoFixedH
C
tagAtomsCmpTwoMobileH
C
tagAtomSizes
C
tagAtPair
C
tagBaseCanonNumbering
C
tagBfsQueue
C
tagBNS_FLOW_CHANGES
C
tagCANON_GLOBALS
C
tagCanonCounts
C
tagCanonData
C
tagCanonStat
C
tagCell
C
tagChargeCandidate
C
tagChargeChangeCandidate
C
tagChargeGroup
C
tagChargeGroupsInfo
C
tagChargeNodeList
C
tagChargeNodes
C
tagChargeType
C
tagChargeValence
C
tagCompareInchiMsg
C
tagCompareInchiMsgGroup
C
tagCOMPONENT_TREAT_INFO
C
tagCompositeAtomData
C
tagCTable
C
tagCurTree
C
tagDerivAttachment
C
tagDfsPath
C
tagDiylFrag
C
tagDrawParms
C
tagDrawParmsSettings
C
tagEdgeCapFlow
C
tagEdgeList
C
tagElData
C
tagEndpointInfo
C
tagEQUIV_INFO
C
tagEquNeigh
C
tagFixHOrTautCanonNumbering
C
tagINChI
C
tagINChI_Aux
C
tagINCHI_CLOCK
C
tagINCHI_Input
C
tagINCHI_InputINCHI
C
tagINChI_IsotopicAtom
C
tagINChI_IsotopicTGroup
C
tagINCHI_OUT_CTL
C
tagINCHI_Output
C
tagINCHI_OutputStruct
C
tagINCHI_OutputStructEx
C
tagINChI_Stereo
C
tagInchiAtom
C
tagInChICompareResults
C
tagINChIforSort
C
tagINCHIGEN_CONTROL
C
tagINCHIGEN_DATA
C
tagInchiInpData
C
tagInchiReadErrMsg
C
tagINCHIStereo0D
C
tagInchiTag
C
tagInchiTime
C
tagInfoAtomData
C
tagInpAtomAddParities
C
tagInputAtom
C
tagInputAtomData
C
tagInputInChI
C
tagInputParms
C
tagINT_ARRAY
INT_ARRAY - Dynamically growing array of int
C
tagInternalDrawParms
C
tagIsotopicAtom
C
tagIsotopicTautomerGroup
C
tagkLeast
C
tagLine
C
tagLinkedBonds
C
tagMobileGroupList
C
tagMobileHGroups
C
tagModSCenterInfo
C
tagNodeSet
C
tagNodeValues
C
tagNormAtom
C
tagNormAtomData
C
tagNormCanonFlags
C
tagNumElem
C
tagOAD_StructureEdits
C
tagOneComponentRemovedAndExchangeableH
C
tagOneLinkedBond
C
tagOrderStruct
C
tagOrigAtom
C
tagOriginalStruct
C
tagOrigInfo
C
tagOutputStream
C
tagOutputString
C
tagPartition
C
tagPersistDrawParms
C
tagPOSEContext
C
tagProtonRemovalMaskAndType
C
tagQieue
C
tagRemovedAndExchangeableH
C
tagReturnedDrawParms
C
tagReversedInChI
C
tagRing2Chain
C
tagSaltChargeCandidate
C
tagSaltGroupInfo
C
tagSplitLong
C
tagStereoBondNeighbor
C
tagStereoCarb
C
tagStereoDble
C
tagStructCmpTwoFixedH
C
tagStructCmpTwoMobileH
C
tagStructData
C
tagStructFptrs
C
tagStructFromInChI
C
tagStructRestoreMode
C
tagTautomerBondLocation
C
tagTautomerEndpoint
C
tagTautomerGroup
C
tagTautomerGroupsInfo
C
tagTautomerNormInfo
C
tagTblDrawPatms
C
tagTCGroup
C
tagTgDiffHChgFH
C
tagTransposition
C
tagTreeAtom
C
tagUnorderedPartition
C
tagVertCapFlow
C
tagVertexFlow
C
tagWindowData
C
tagXYZCoord
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