Uses of Package
org.openscience.cdk.interfaces
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Classes in org.openscience.cdk.interfaces used by org.openscience.cdk Class Description IAminoAcid A AminoAcid is Monomer which stores additional amino acid specific informations, like the N-terminus atom.IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IAtomType The base class for atom types.IAtomType.Hybridization An enum for the different hybridization states.IBioPolymer A BioPolymer is a subclass of a Polymer which is supposed to store additional informations about the Polymer which are connected to BioPolymers.IBond Implements the concept of a covalent bond between two or more atoms.IBond.Display Bond display style, controlling how bonds appear in a 2D depiction.IBond.Order A list of permissible bond orders.IBond.Stereo Enumeration of possible stereo types of two-atom bonds.ICDKObject The base class for all data objects in this CDK.IChemFile AnIChemObject
containing a number of ChemSequences.IChemModel An object containing multiple MoleculeSet and the other lower level concepts like rings, sequences, fragments, etc.IChemObject The base class for all chemical objects in this cdk.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IChemObjectChangeEvent Event fired by CDK IChemObject classes to their registered listeners in case something changed within them.IChemObjectListener Classes implementing this interface must implement this method such that they react appropriately to changes in the object they are interested in.IChemSequence A sequence of ChemModels, which can, for example, be used to store the course of a reaction.ICrystal Class representing a molecular crystal.IElectronContainer Base class for entities containing electrons, like bonds, orbitals, lone-pairs.IElement Implements the idea of an element in the periodic table.IFragmentAtom Class to represent an IPseudoAtom which embeds an IAtomContainer.IIsotope Used to store and retrieve data of a particular isotope.ILonePair A LonePair is an orbital primarily located with one Atom, containing two electrons.IMapping Represents a mapping of two atoms.IMonomer A Monomer is an AtomContainer which stores additional monomer specific informations for a group of Atoms.IPolymer Subclass of Molecule to store Polymer specific attributes that a Polymer has.IPseudoAtom Represents the idea of a non-chemical atom-like entity, like Me, R, X, Phe, His, etc.IReaction Represents the idea of a chemical reaction.IReaction.Direction Permissible reaction directions.IReactionScheme Classes that implement this interface of a scheme.IReactionSet A set of reactions, for example those taking part in a reaction.IRing Class representing a ring structure in a molecule.IRingSet Maintains a set of Ring objects.ISingleElectron A Single Electron is an orbital which is occupied by only one electron.IStereoElement Representation of stereochemical configuration.IStrand A Strand is an AtomContainer which stores additional strand specific informations for a group of Atoms.ISubstance A chemical substance that consists of one or more chemical structures. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.aromaticity Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms.IRing Class representing a ring structure in a molecule. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.atomtype Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomType The base class for atom types.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IRingSet Maintains a set of Ring objects. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.charges Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IBond Implements the concept of a covalent bond between two or more atoms. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.config Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomType The base class for atom types.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IElement Implements the idea of an element in the periodic table.IIsotope Used to store and retrieve data of a particular isotope.IMolecularFormula Class defining a molecular formula object. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.config.atomtypes Class Description IAtomType The base class for atom types.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.config.isotopes Class Description IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IIsotope Used to store and retrieve data of a particular isotope. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.debug Class Description IAdductFormula Class defining an adduct object in a MolecularFormula.IAminoAcid A AminoAcid is Monomer which stores additional amino acid specific informations, like the N-terminus atom.IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IAtomType The base class for atom types.IAtomType.Hybridization An enum for the different hybridization states.IBioPolymer A BioPolymer is a subclass of a Polymer which is supposed to store additional informations about the Polymer which are connected to BioPolymers.IBond Implements the concept of a covalent bond between two or more atoms.IBond.Order A list of permissible bond orders.IBond.Stereo Enumeration of possible stereo types of two-atom bonds.ICDKObject The base class for all data objects in this CDK.IChemFile AnIChemObject
containing a number of ChemSequences.IChemModel An object containing multiple MoleculeSet and the other lower level concepts like rings, sequences, fragments, etc.IChemObject The base class for all chemical objects in this cdk.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IChemObjectChangeEvent Event fired by CDK IChemObject classes to their registered listeners in case something changed within them.IChemObjectListener Classes implementing this interface must implement this method such that they react appropriately to changes in the object they are interested in.IChemSequence A sequence of ChemModels, which can, for example, be used to store the course of a reaction.ICrystal Class representing a molecular crystal.IElectronContainer Base class for entities containing electrons, like bonds, orbitals, lone-pairs.IElement Implements the idea of an element in the periodic table.IFragmentAtom Class to represent an IPseudoAtom which embeds an IAtomContainer.IIsotope Used to store and retrieve data of a particular isotope.ILonePair A LonePair is an orbital primarily located with one Atom, containing two electrons.IMapping Represents a mapping of two atoms.IMolecularFormula Class defining a molecular formula object.IMolecularFormulaSet Class defining a molecular formula object.IMonomer A Monomer is an AtomContainer which stores additional monomer specific informations for a group of Atoms.IPDBAtom A PDBAtom is a subclass of a Atom which is supposed to store additional informations about the Atom.IPDBMonomer Represents the idea of an protein monomer as found in PDB files.IPDBPolymer A PDBPolymer is a subclass of a BioPolymer which is supposed to store additional informations about the BioPolymer which are connected to BioPolymers.IPDBStructure Represents the idea of an chemical structure.IPolymer Subclass of Molecule to store Polymer specific attributes that a Polymer has.IPseudoAtom Represents the idea of a non-chemical atom-like entity, like Me, R, X, Phe, His, etc.IReaction Represents the idea of a chemical reaction.IReaction.Direction Permissible reaction directions.IReactionScheme Classes that implement this interface of a scheme.IReactionSet A set of reactions, for example those taking part in a reaction.IRing Class representing a ring structure in a molecule.IRingSet Maintains a set of Ring objects.ISingleElectron A Single Electron is an orbital which is occupied by only one electron.IStereoElement Representation of stereochemical configuration.IStrand A Strand is an AtomContainer which stores additional strand specific informations for a group of Atoms.ISubstance A chemical substance that consists of one or more chemical structures. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.depict Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IChemObject The base class for all chemical objects in this cdk.IReaction Represents the idea of a chemical reaction.IReactionSet A set of reactions, for example those taking part in a reaction. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.dict Class Description IChemObject The base class for all chemical objects in this cdk. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.event Class Description IChemObjectChangeEvent Event fired by CDK IChemObject classes to their registered listeners in case something changed within them. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.fingerprint Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IRingSet Maintains a set of Ring objects. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.fingerprint.model Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.forcefield.mmff Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.formula Class Description IAdductFormula Class defining an adduct object in a MolecularFormula.ICDKObject The base class for all data objects in this CDK.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IIsotope Used to store and retrieve data of a particular isotope.IMolecularFormula Class defining a molecular formula object.IMolecularFormulaSet Class defining a molecular formula object. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.formula.rules Class Description IMolecularFormula Class defining a molecular formula object. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.fragment Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.geometry Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms.IChemModel An object containing multiple MoleculeSet and the other lower level concepts like rings, sequences, fragments, etc.ICrystal Class representing a molecular crystal.IReaction Represents the idea of a chemical reaction.IRingSet Maintains a set of Ring objects. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.geometry.alignment Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.geometry.cip Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IDoubleBondStereochemistry Stereochemistry specification for double bond stereochemistry.ITetrahedralChirality Stereochemistry specification for quadrivalent atoms.ITetrahedralChirality.Stereo Enumeration that defines the two possible chiralities for this stereochemistry type. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.geometry.surface Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.geometry.volume Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.graph Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IBond Implements the concept of a covalent bond between two or more atoms.IRingSet Maintains a set of Ring objects. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.graph.invariant Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.graph.matrix Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.graph.rebond Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.group Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.hash Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.hash.stereo Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.inchi Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.interfaces Class Description IAminoAcid A AminoAcid is Monomer which stores additional amino acid specific informations, like the N-terminus atom.IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IAtomType The base class for atom types.IAtomType.Hybridization An enum for the different hybridization states.IBioPolymer A BioPolymer is a subclass of a Polymer which is supposed to store additional informations about the Polymer which are connected to BioPolymers.IBond Implements the concept of a covalent bond between two or more atoms.IBond.Display Bond display style, controlling how bonds appear in a 2D depiction.IBond.Order A list of permissible bond orders.IBond.Stereo Enumeration of possible stereo types of two-atom bonds.ICDKObject The base class for all data objects in this CDK.IChemModel An object containing multiple MoleculeSet and the other lower level concepts like rings, sequences, fragments, etc.IChemObject The base class for all chemical objects in this cdk.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IChemObjectChangeEvent Event fired by CDK IChemObject classes to their registered listeners in case something changed within them.IChemObjectListener Classes implementing this interface must implement this method such that they react appropriately to changes in the object they are interested in.IChemSequence A sequence of ChemModels, which can, for example, be used to store the course of a reaction.ICrystal Class representing a molecular crystal.IDoubleBondStereochemistry Stereochemistry specification for double bond stereochemistry.IDoubleBondStereochemistry.Conformation Enumeration that defines the two possible values for this stereochemistry type.IElectronContainer Base class for entities containing electrons, like bonds, orbitals, lone-pairs.IElement Implements the idea of an element in the periodic table.IIsotope Used to store and retrieve data of a particular isotope.ILonePair A LonePair is an orbital primarily located with one Atom, containing two electrons.IMapping Represents a mapping of two atoms.IMolecularFormula Class defining a molecular formula object.IMolecularFormulaSet Class defining a molecular formula object.IMonomer A Monomer is an AtomContainer which stores additional monomer specific informations for a group of Atoms.IPDBAtom A PDBAtom is a subclass of a Atom which is supposed to store additional informations about the Atom.IPDBMonomer Represents the idea of an protein monomer as found in PDB files.IPDBPolymer A PDBPolymer is a subclass of a BioPolymer which is supposed to store additional informations about the BioPolymer which are connected to BioPolymers.IPDBStructure Represents the idea of an chemical structure.IPolymer Subclass of Molecule to store Polymer specific attributes that a Polymer has.IPseudoAtom Represents the idea of a non-chemical atom-like entity, like Me, R, X, Phe, His, etc.IReaction Represents the idea of a chemical reaction.IReaction.Direction Permissible reaction directions.IReactionScheme Classes that implement this interface of a scheme.IReactionSet A set of reactions, for example those taking part in a reaction.IRing Class representing a ring structure in a molecule.IRingSet Maintains a set of Ring objects.ISingleElectron A Single Electron is an orbital which is occupied by only one electron.IStereoElement Representation of stereochemical configuration.IStrand A Strand is an AtomContainer which stores additional strand specific informations for a group of Atoms.ITetrahedralChirality Stereochemistry specification for quadrivalent atoms.ITetrahedralChirality.Stereo Enumeration that defines the two possible chiralities for this stereochemistry type. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.io Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IChemObject The base class for all chemical objects in this cdk.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.ICrystal Class representing a molecular crystal. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.io.cml Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IBond Implements the concept of a covalent bond between two or more atoms.IChemFile AnIChemObject
containing a number of ChemSequences.IChemModel An object containing multiple MoleculeSet and the other lower level concepts like rings, sequences, fragments, etc.IChemSequence A sequence of ChemModels, which can, for example, be used to store the course of a reaction.IMonomer A Monomer is an AtomContainer which stores additional monomer specific informations for a group of Atoms.IReaction Represents the idea of a chemical reaction.IReactionSet A set of reactions, for example those taking part in a reaction.IStrand A Strand is an AtomContainer which stores additional strand specific informations for a group of Atoms. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.io.inchi Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.io.iterator Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IChemModel An object containing multiple MoleculeSet and the other lower level concepts like rings, sequences, fragments, etc.IChemObject The base class for all chemical objects in this cdk.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.io.iterator.event Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IChemObject The base class for all chemical objects in this cdk.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.io.program Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IChemObject The base class for all chemical objects in this cdk. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.io.pubchemxml Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IChemModel An object containing multiple MoleculeSet and the other lower level concepts like rings, sequences, fragments, etc.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.io.random Class Description IChemObject The base class for all chemical objects in this cdk.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.io.rdf Class Description IChemObject The base class for all chemical objects in this cdk. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.io.setting Class Description ISetting A simple setting that can be managed by the SettingManager. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.isomorphism Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms.IChemObject The base class for all chemical objects in this cdk.IReaction Represents the idea of a chemical reaction. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.isomorphism.matchers Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomType The base class for atom types.IAtomType.Hybridization An enum for the different hybridization states.IBond Implements the concept of a covalent bond between two or more atoms.IBond.Display Bond display style, controlling how bonds appear in a 2D depiction.IBond.Order A list of permissible bond orders.IBond.Stereo Enumeration of possible stereo types of two-atom bonds.ICDKObject The base class for all data objects in this CDK.IChemObject The base class for all chemical objects in this cdk.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IChemObjectChangeEvent Event fired by CDK IChemObject classes to their registered listeners in case something changed within them.IChemObjectListener Classes implementing this interface must implement this method such that they react appropriately to changes in the object they are interested in.IElectronContainer Base class for entities containing electrons, like bonds, orbitals, lone-pairs.IElement Implements the idea of an element in the periodic table.IIsotope Used to store and retrieve data of a particular isotope.ILonePair A LonePair is an orbital primarily located with one Atom, containing two electrons.ISingleElectron A Single Electron is an orbital which is occupied by only one electron.IStereoElement Representation of stereochemical configuration. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.isomorphism.matchers.smarts Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomType The base class for atom types.IBond Implements the concept of a covalent bond between two or more atoms.IBond.Order A list of permissible bond orders.ICDKObject The base class for all data objects in this CDK.IChemObject The base class for all chemical objects in this cdk.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IElectronContainer Base class for entities containing electrons, like bonds, orbitals, lone-pairs.IElement Implements the idea of an element in the periodic table.IIsotope Used to store and retrieve data of a particular isotope. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.iupac.parser Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.layout Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IBond Implements the concept of a covalent bond between two or more atoms.IChemObject The base class for all chemical objects in this cdk.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IReaction Represents the idea of a chemical reaction.IRing Class representing a ring structure in a molecule.IRingSet Maintains a set of Ring objects. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.libio.cml Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IBond Implements the concept of a covalent bond between two or more atoms.IChemFile AnIChemObject
containing a number of ChemSequences.IChemModel An object containing multiple MoleculeSet and the other lower level concepts like rings, sequences, fragments, etc.IChemSequence A sequence of ChemModels, which can, for example, be used to store the course of a reaction.ICrystal Class representing a molecular crystal.IMonomer A Monomer is an AtomContainer which stores additional monomer specific informations for a group of Atoms.IPDBPolymer A PDBPolymer is a subclass of a BioPolymer which is supposed to store additional informations about the BioPolymer which are connected to BioPolymers.IReaction Represents the idea of a chemical reaction.IReactionScheme Classes that implement this interface of a scheme.IReactionSet A set of reactions, for example those taking part in a reaction. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.libio.jena Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond.Order A list of permissible bond orders.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.libio.md Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.ICDKObject The base class for all data objects in this CDK.IChemObject The base class for all chemical objects in this cdk.IChemObjectListener Classes implementing this interface must implement this method such that they react appropriately to changes in the object they are interested in. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.math.qm Class Description IAtom Represents the idea of an chemical atom. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.modeling.builder3d Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IAtomType The base class for atom types.IBond Implements the concept of a covalent bond between two or more atoms.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IRingSet Maintains a set of Ring objects. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.normalize Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.pharmacophore Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomType The base class for atom types.IBond Implements the concept of a covalent bond between two or more atoms.ICDKObject The base class for all data objects in this CDK.IChemObject The base class for all chemical objects in this cdk.IChemObjectListener Classes implementing this interface must implement this method such that they react appropriately to changes in the object they are interested in.IElectronContainer Base class for entities containing electrons, like bonds, orbitals, lone-pairs.IElement Implements the idea of an element in the periodic table.IIsotope Used to store and retrieve data of a particular isotope. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.protein Class Description IBioPolymer A BioPolymer is a subclass of a Polymer which is supposed to store additional informations about the Polymer which are connected to BioPolymers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.protein.data Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomType The base class for atom types.IBioPolymer A BioPolymer is a subclass of a Polymer which is supposed to store additional informations about the Polymer which are connected to BioPolymers.ICDKObject The base class for all data objects in this CDK.IChemObject The base class for all chemical objects in this cdk.IChemObjectListener Classes implementing this interface must implement this method such that they react appropriately to changes in the object they are interested in.IElement Implements the idea of an element in the periodic table.IIsotope Used to store and retrieve data of a particular isotope.IMonomer A Monomer is an AtomContainer which stores additional monomer specific informations for a group of Atoms.IPDBAtom A PDBAtom is a subclass of a Atom which is supposed to store additional informations about the Atom.IPDBMonomer Represents the idea of an protein monomer as found in PDB files.IPDBPolymer A PDBPolymer is a subclass of a BioPolymer which is supposed to store additional informations about the BioPolymer which are connected to BioPolymers.IPDBStructure Represents the idea of an chemical structure.IPolymer Subclass of Molecule to store Polymer specific attributes that a Polymer has.IStrand A Strand is an AtomContainer which stores additional strand specific informations for a group of Atoms. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.qsar Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.qsar.descriptors.atomic Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IRingSet Maintains a set of Ring objects. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.qsar.descriptors.atompair Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.qsar.descriptors.bond Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.qsar.descriptors.molecular Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.qsar.descriptors.protein Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.qsar.descriptors.substance Class Description IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.ISubstance A chemical substance that consists of one or more chemical structures. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.reaction Class Description IAtom Represents the idea of an chemical atom.IAtomContainerSet A set of AtomContainers.ICDKObject The base class for all data objects in this CDK.IChemObject The base class for all chemical objects in this cdk.IChemObjectListener Classes implementing this interface must implement this method such that they react appropriately to changes in the object they are interested in.IReaction Represents the idea of a chemical reaction.IReactionSet A set of reactions, for example those taking part in a reaction. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.reaction.mechanism Class Description IAtom Represents the idea of an chemical atom.IAtomContainerSet A set of AtomContainers.IReaction Represents the idea of a chemical reaction. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.reaction.type Class Description IAtomContainerSet A set of AtomContainers.IReactionSet A set of reactions, for example those taking part in a reaction. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.renderer Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IBond Implements the concept of a covalent bond between two or more atoms.IChemModel An object containing multiple MoleculeSet and the other lower level concepts like rings, sequences, fragments, etc.IChemObject The base class for all chemical objects in this cdk.IReaction Represents the idea of a chemical reaction.IReactionSet A set of reactions, for example those taking part in a reaction. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.renderer.color Class Description IAtom Represents the idea of an chemical atom. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.renderer.elements Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.renderer.generators Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms.IBond.Order A list of permissible bond orders.IChemObject The base class for all chemical objects in this cdk.IReaction Represents the idea of a chemical reaction.IRing Class representing a ring structure in a molecule.IRingSet Maintains a set of Ring objects. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.renderer.generators.standard Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.renderer.selection Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IChemModel An object containing multiple MoleculeSet and the other lower level concepts like rings, sequences, fragments, etc.IChemObject The base class for all chemical objects in this cdk. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.ringsearch Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms.IRingSet Maintains a set of Ring objects. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.sgroup Class Description IAtom Represents the idea of an chemical atom.IBond Implements the concept of a covalent bond between two or more atoms. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.signature Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.silent Class Description IAdductFormula Class defining an adduct object in a MolecularFormula.IAminoAcid A AminoAcid is Monomer which stores additional amino acid specific informations, like the N-terminus atom.IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IAtomType The base class for atom types.IAtomType.Hybridization An enum for the different hybridization states.IBioPolymer A BioPolymer is a subclass of a Polymer which is supposed to store additional informations about the Polymer which are connected to BioPolymers.IBond Implements the concept of a covalent bond between two or more atoms.IBond.Display Bond display style, controlling how bonds appear in a 2D depiction.IBond.Order A list of permissible bond orders.IBond.Stereo Enumeration of possible stereo types of two-atom bonds.ICDKObject The base class for all data objects in this CDK.IChemFile AnIChemObject
containing a number of ChemSequences.IChemModel An object containing multiple MoleculeSet and the other lower level concepts like rings, sequences, fragments, etc.IChemObject The base class for all chemical objects in this cdk.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IChemObjectChangeEvent Event fired by CDK IChemObject classes to their registered listeners in case something changed within them.IChemObjectListener Classes implementing this interface must implement this method such that they react appropriately to changes in the object they are interested in.IChemSequence A sequence of ChemModels, which can, for example, be used to store the course of a reaction.ICrystal Class representing a molecular crystal.IElectronContainer Base class for entities containing electrons, like bonds, orbitals, lone-pairs.IElement Implements the idea of an element in the periodic table.IFragmentAtom Class to represent an IPseudoAtom which embeds an IAtomContainer.IIsotope Used to store and retrieve data of a particular isotope.ILonePair A LonePair is an orbital primarily located with one Atom, containing two electrons.IMapping Represents a mapping of two atoms.IMolecularFormula Class defining a molecular formula object.IMolecularFormulaSet Class defining a molecular formula object.IMonomer A Monomer is an AtomContainer which stores additional monomer specific informations for a group of Atoms.IPDBAtom A PDBAtom is a subclass of a Atom which is supposed to store additional informations about the Atom.IPDBMonomer Represents the idea of an protein monomer as found in PDB files.IPDBPolymer A PDBPolymer is a subclass of a BioPolymer which is supposed to store additional informations about the BioPolymer which are connected to BioPolymers.IPDBStructure Represents the idea of an chemical structure.IPolymer Subclass of Molecule to store Polymer specific attributes that a Polymer has.IPseudoAtom Represents the idea of a non-chemical atom-like entity, like Me, R, X, Phe, His, etc.IReaction Represents the idea of a chemical reaction.IReaction.Direction Permissible reaction directions.IReactionScheme Classes that implement this interface of a scheme.IReactionSet A set of reactions, for example those taking part in a reaction.IRing Class representing a ring structure in a molecule.IRingSet Maintains a set of Ring objects.ISingleElectron A Single Electron is an orbital which is occupied by only one electron.IStereoElement Representation of stereochemical configuration.IStrand A Strand is an AtomContainer which stores additional strand specific informations for a group of Atoms.ISubstance A chemical substance that consists of one or more chemical structures. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.similarity Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smarts Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smiles Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IReaction Represents the idea of a chemical reaction.IReactionSet A set of reactions, for example those taking part in a reaction. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smiles.smarts Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smiles.smarts.parser Class Description IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.algorithm.matchers Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.algorithm.mcgregor Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.algorithm.mcsplus Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.algorithm.rgraph Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.algorithm.single Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.algorithm.vflib Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.algorithm.vflib.builder Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.algorithm.vflib.interfaces Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.algorithm.vflib.map Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.algorithm.vflib.query Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.filters Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms.IBond.Order A list of permissible bond orders.IBond.Stereo Enumeration of possible stereo types of two-atom bonds. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.helper Class Description IBond Implements the concept of a covalent bond between two or more atoms.IBond.Order A list of permissible bond orders. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.interfaces Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.labelling Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IReaction Represents the idea of a chemical reaction. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.ring Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IRingSet Maintains a set of Ring objects. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.smsd.tools Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms.IBond.Order A list of permissible bond orders. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.stereo Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IBond Implements the concept of a covalent bond between two or more atoms.ICDKObject The base class for all data objects in this CDK.IChemObject The base class for all chemical objects in this cdk.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IDoubleBondStereochemistry Stereochemistry specification for double bond stereochemistry.IDoubleBondStereochemistry.Conformation Enumeration that defines the two possible values for this stereochemistry type.IStereoElement Representation of stereochemical configuration.ITetrahedralChirality Stereochemistry specification for quadrivalent atoms.ITetrahedralChirality.Stereo Enumeration that defines the two possible chiralities for this stereochemistry type. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.structgen Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.structgen.maygen Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.structgen.stochastic Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.structgen.stochastic.operator Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.tautomers Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.templates Class Description IAminoAcid A AminoAcid is Monomer which stores additional amino acid specific informations, like the N-terminus atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.templates.saturatedhydrocarbons Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.tools Class Description IAminoAcid A AminoAcid is Monomer which stores additional amino acid specific informations, like the N-terminus atom.IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IAtomType The base class for atom types.IBioPolymer A BioPolymer is a subclass of a Polymer which is supposed to store additional informations about the Polymer which are connected to BioPolymers.IBond Implements the concept of a covalent bond between two or more atoms.IBond.Order A list of permissible bond orders.IChemObject The base class for all chemical objects in this cdk.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IRing Class representing a ring structure in a molecule.IRingSet Maintains a set of Ring objects.IStrand A Strand is an AtomContainer which stores additional strand specific informations for a group of Atoms. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.tools.diff Class Description IChemObject The base class for all chemical objects in this cdk. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.tools.diff.tree Class Description IAtomType.Hybridization An enum for the different hybridization states.IBond.Order A list of permissible bond orders. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.tools.features Class Description IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.tools.manipulator Class Description IAminoAcid A AminoAcid is Monomer which stores additional amino acid specific informations, like the N-terminus atom.IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IAtomType The base class for atom types.IBond Implements the concept of a covalent bond between two or more atoms.IBond.Order A list of permissible bond orders.IChemFile AnIChemObject
containing a number of ChemSequences.IChemModel An object containing multiple MoleculeSet and the other lower level concepts like rings, sequences, fragments, etc.IChemObject The base class for all chemical objects in this cdk.IChemObjectBuilder A helper class to instantiate aICDKObject
instance for a specific implementation.IChemSequence A sequence of ChemModels, which can, for example, be used to store the course of a reaction.IElectronContainer Base class for entities containing electrons, like bonds, orbitals, lone-pairs.IElement Implements the idea of an element in the periodic table.IIsotope Used to store and retrieve data of a particular isotope.IMolecularFormula Class defining a molecular formula object.IMolecularFormulaSet Class defining a molecular formula object.IReaction Represents the idea of a chemical reaction.IReactionScheme Classes that implement this interface of a scheme.IReactionSet A set of reactions, for example those taking part in a reaction.IRing Class representing a ring structure in a molecule.IRingSet Maintains a set of Ring objects. -
Classes in org.openscience.cdk.interfaces used by org.openscience.cdk.validate Class Description IAtom Represents the idea of an chemical atom.IAtomContainer Base class for all chemical objects that maintain a list of Atoms and ElectronContainers.IAtomContainerSet A set of AtomContainers.IAtomType The base class for atom types.IBond Implements the concept of a covalent bond between two or more atoms.IChemFile AnIChemObject
containing a number of ChemSequences.IChemModel An object containing multiple MoleculeSet and the other lower level concepts like rings, sequences, fragments, etc.IChemObject The base class for all chemical objects in this cdk.IChemSequence A sequence of ChemModels, which can, for example, be used to store the course of a reaction.ICrystal Class representing a molecular crystal.IElectronContainer Base class for entities containing electrons, like bonds, orbitals, lone-pairs.IElement Implements the idea of an element in the periodic table.IIsotope Used to store and retrieve data of a particular isotope.IReaction Represents the idea of a chemical reaction.IReactionSet A set of reactions, for example those taking part in a reaction.