Package org.openscience.cdk.interfaces

Interface Summary
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.
IAtomParity Represents the concept of an atom parity identifying the stereochemistry around an atom, given four neighbouring atoms.
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.
ICDKObject The base class for all data objects in this CDK.
IChemFile An IChemObject 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 a ICDKObject 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.
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.
ISetting A simple setting that can be managed by the SettingManager.
ISingleElectron A Single Electron is an orbital which is occupied by only one electron.
IStereoElement Represents the concept of a stereo element in the molecule.
IStrand A Strand is an AtomContainer which stores additional strand specific informations for a group of Atoms.
ITetrahedralChirality Stereochemistry specification for quadrivalent atoms.
 

Enum Summary
IAtomType.Hybridization An enum for the different hybridization states.
IBond.Order A list of permissible bond orders.
IBond.Stereo Enumeration of possible stereo types of two-atom bonds.
IReaction.Direction Permissible reaction directions.
ITetrahedralChirality.Stereo Enumeration that defines the two possible chiralities for this stereochemistry type.