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  • Release Notes 2020.1
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  • OEChem Toolkit
    • Introduction
    • OEChem Theory
    • OESystem Theory
    • OEBio Theory
    • OEGrid Theory
    • Examples
    • OEChem API
    • Preliminary OEChem API
      • Preliminary OEChem Classes
        • OECreateSubSearchDatabaseOptions
        • OEMolParameter
        • OEMolReaderParameter
        • OEMolWriterParameter
        • OEPredicateParameter
        • OESimpleAppOptions
        • OESubSearchDatabase
        • OESubSearchQuery
        • OESubSearchResult
        • OESubSearchScreen
        • OESubSearchScreenTypeBase
        • OEUnAtomPredParameter
        • OEUnBondPredParameter
        • OEMolRecord
      • Preliminary OEChem Constants
      • Preliminary OEChem Functions
    • OESystem API
    • Preliminary OESystem API
    • OEPlatform API
    • OEMath API
    • OEBio API
    • Preliminary OEBio API
    • Release Notes
    • Glossary and Bibliography
    • Indices and tables
  • OEDepict Toolkit
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Toolkits--cpp
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  • OEChem Toolkit 3.0.0.5 »
  • Preliminary OEChem Classes

Preliminary OEChem ClassesΒΆ

  • OECreateSubSearchDatabaseOptions
    • Constructors
    • GetKeepTitle
    • GetNumProcessors
    • GetScreenType
    • GetSortByBitCounts
    • SetKeepTitle
    • SetNumProcessors
    • SetSortByBitCounts
  • OEMolParameter
    • Constructors
    • operator=
    • GetSetting
    • GetValue
    • SetValue
  • OEMolReaderParameter
    • Constructors
    • operator=
  • OEMolWriterParameter
    • Constructors
    • operator=
  • OEPredicateParameter
    • Constructors
    • operator=
    • GetDefault
    • GetSetting
    • GetValue
    • SetDefault
    • SetValue
  • OESimpleAppOptions
    • Constructors
    • operator=
    • GetInFile
    • GetOutFile
    • SetInFile
    • SetOutFile
  • OESubSearchDatabase
    • Constructors
    • GetDatabaseType
    • GetMatchIndices
    • GetMatchTitles
    • GetMolecule
    • GetScreenType
    • GetTitle
    • IsValid
    • NumMatches
    • NumMolecules
    • NumProcessors
    • Open
    • Search
  • OESubSearchQuery
    • Constructors
    • SetFilter
    • GetMaxMatches
    • SetMaxMatches
  • OESubSearchResult
    • Constructors
    • Cancel
    • GetMatchIndices
    • GetSearchStatus
    • IsValid
    • NumMatches
    • NumScreened
    • NumSearched
    • NumTargets
    • NumTotalMatches
  • OESubSearchScreen
    • Constructors
    • operator=
    • GetScreenType
    • IsValid
  • OESubSearchScreenTypeBase
    • GetName
    • GetScreenType
    • GetScreenTypeString
    • GetSize
    • GetVersion
    • GetVersionString
  • OEUnAtomPredParameter
    • Constructors
    • operator=
  • OEUnBondPredParameter
    • Constructors
    • operator=
  • OEMolRecord
    • Constructors
    • GetPrimaryMolField
    • GetMol
    • HasMol
    • SetMol
    • GetMolPointer
    • SetMolReference
    • GetConfRecord
    • SetConfRecord
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