Uses of Interface
org.openscience.cdk.interfaces.IElectronContainer
Packages that use IElectronContainer
Package
Description
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Uses of IElectronContainer in org.openscience.cdk
Classes in org.openscience.cdk that implement IElectronContainerModifier and TypeClassDescriptionclass
Base class for storing interactions like hydrogen bonds and ionic interactions.class
Implements the concept of a covalent bond between two or more atoms.class
A bond ref, references a CDKIBond
indirectly.class
Base class for entities containing electrons, like bonds, orbitals, lone-pairs.class
A LonePair is an orbital primarily located with one Atom, containing two electrons.class
A Single Electron is an orbital which is occupied by only one electron.Methods in org.openscience.cdk that return IElectronContainerModifier and TypeMethodDescriptionAtomContainer.getElectronContainer
(int number) Returns the ElectronContainer at positionnumber
in the container.AtomContainer.removeElectronContainer
(int number) Removes the bond at the given position from this container.Methods in org.openscience.cdk that return types with arguments of type IElectronContainerModifier and TypeMethodDescriptionAtomContainer.electronContainers()
Returns an Iterable for looping over all electron containers in this container.AtomContainer.getConnectedElectronContainersList
(IAtom atom) Returns the electron containers (bonds, radicals, and lone pairs ) connected connected to the specified atom.Methods in org.openscience.cdk with parameters of type IElectronContainerModifier and TypeMethodDescriptionvoid
AtomContainer.addElectronContainer
(IElectronContainer electronContainer) Adds a ElectronContainer to this AtomContainer.boolean
AtomContainer.contains
(IElectronContainer electronContainer) True, if the AtomContainer contains the given ElectronContainer object.void
AtomContainer.removeElectronContainer
(IElectronContainer electronContainer) Removes this ElectronContainer from this container. -
Uses of IElectronContainer in org.openscience.cdk.debug
Classes in org.openscience.cdk.debug that implement IElectronContainerModifier and TypeClassDescriptionclass
Debugging data class.class
Debugging data class.class
Debugging data class.class
Debugging data class.Methods in org.openscience.cdk.debug that return IElectronContainerModifier and TypeMethodDescriptionDebugAminoAcid.getElectronContainer
(int number) Returns the ElectronContainer at positionnumber
in the container.DebugAtomContainer.getElectronContainer
(int number) Returns the ElectronContainer at positionnumber
in the container.DebugBioPolymer.getElectronContainer
(int number) Returns the ElectronContainer at positionnumber
in the container.DebugCrystal.getElectronContainer
(int number) Returns the ElectronContainer at positionnumber
in the container.DebugMonomer.getElectronContainer
(int number) Returns the ElectronContainer at positionnumber
in the container.DebugPolymer.getElectronContainer
(int number) Returns the ElectronContainer at positionnumber
in the container.DebugRing.getElectronContainer
(int number) Returns the ElectronContainer at positionnumber
in the container.DebugStrand.getElectronContainer
(int number) Returns the ElectronContainer at positionnumber
in the container.DebugAminoAcid.removeElectronContainer
(int position) Removes the bond at the given position from this container.DebugAtomContainer.removeElectronContainer
(int position) Removes the bond at the given position from this container.DebugBioPolymer.removeElectronContainer
(int position) Removes the bond at the given position from this container.DebugCrystal.removeElectronContainer
(int position) Removes the bond at the given position from this container.DebugMonomer.removeElectronContainer
(int position) Removes the bond at the given position from this container.DebugPolymer.removeElectronContainer
(int position) Removes the bond at the given position from this container.DebugRing.removeElectronContainer
(int position) Removes the bond at the given position from this container.DebugStrand.removeElectronContainer
(int position) Removes the bond at the given position from this container.Methods in org.openscience.cdk.debug that return types with arguments of type IElectronContainerModifier and TypeMethodDescriptionDebugAminoAcid.electronContainers()
Returns an Iterable for looping over all electron containers in this container.DebugAtomContainer.electronContainers()
Returns an Iterable for looping over all electron containers in this container.DebugBioPolymer.electronContainers()
Returns an Iterable for looping over all electron containers in this container.DebugCrystal.electronContainers()
Returns an Iterable for looping over all electron containers in this container.DebugMonomer.electronContainers()
Returns an Iterable for looping over all electron containers in this container.DebugPolymer.electronContainers()
Returns an Iterable for looping over all electron containers in this container.DebugRing.electronContainers()
Returns an Iterable for looping over all electron containers in this container.DebugStrand.electronContainers()
Returns an Iterable for looping over all electron containers in this container.DebugAminoAcid.getConnectedElectronContainersList
(IAtom atom) Returns the electron containers (bonds, radicals, and lone pairs ) connected connected to the specified atom.DebugAtomContainer.getConnectedElectronContainersList
(IAtom atom) Returns the electron containers (bonds, radicals, and lone pairs ) connected connected to the specified atom.DebugBioPolymer.getConnectedElectronContainersList
(IAtom atom) Returns the electron containers (bonds, radicals, and lone pairs ) connected connected to the specified atom.DebugCrystal.getConnectedElectronContainersList
(IAtom atom) Returns the electron containers (bonds, radicals, and lone pairs ) connected connected to the specified atom.DebugMonomer.getConnectedElectronContainersList
(IAtom atom) Returns the electron containers (bonds, radicals, and lone pairs ) connected connected to the specified atom.DebugPolymer.getConnectedElectronContainersList
(IAtom atom) Returns the electron containers (bonds, radicals, and lone pairs ) connected connected to the specified atom.DebugRing.getConnectedElectronContainersList
(IAtom atom) Returns the electron containers (bonds, radicals, and lone pairs ) connected connected to the specified atom.DebugStrand.getConnectedElectronContainersList
(IAtom atom) Returns the electron containers (bonds, radicals, and lone pairs ) connected connected to the specified atom.Methods in org.openscience.cdk.debug with parameters of type IElectronContainerModifier and TypeMethodDescriptionvoid
DebugAminoAcid.addElectronContainer
(IElectronContainer electronContainer) Adds a ElectronContainer to this AtomContainer.void
DebugAtomContainer.addElectronContainer
(IElectronContainer electronContainer) Adds a ElectronContainer to this AtomContainer.void
DebugBioPolymer.addElectronContainer
(IElectronContainer electronContainer) Adds a ElectronContainer to this AtomContainer.void
DebugCrystal.addElectronContainer
(IElectronContainer electronContainer) Adds a ElectronContainer to this AtomContainer.void
DebugMonomer.addElectronContainer
(IElectronContainer electronContainer) Adds a ElectronContainer to this AtomContainer.void
DebugPolymer.addElectronContainer
(IElectronContainer electronContainer) Adds a ElectronContainer to this AtomContainer.void
DebugRing.addElectronContainer
(IElectronContainer electronContainer) Adds a ElectronContainer to this AtomContainer.void
DebugStrand.addElectronContainer
(IElectronContainer electronContainer) Adds a ElectronContainer to this AtomContainer.boolean
DebugAminoAcid.contains
(IElectronContainer electronContainer) True, if the AtomContainer contains the given ElectronContainer object.boolean
DebugAtomContainer.contains
(IElectronContainer electronContainer) True, if the AtomContainer contains the given ElectronContainer object.boolean
DebugBioPolymer.contains
(IElectronContainer electronContainer) True, if the AtomContainer contains the given ElectronContainer object.boolean
DebugCrystal.contains
(IElectronContainer electronContainer) True, if the AtomContainer contains the given ElectronContainer object.boolean
DebugMonomer.contains
(IElectronContainer electronContainer) True, if the AtomContainer contains the given ElectronContainer object.boolean
DebugPolymer.contains
(IElectronContainer electronContainer) True, if the AtomContainer contains the given ElectronContainer object.boolean
DebugRing.contains
(IElectronContainer electronContainer) True, if the AtomContainer contains the given ElectronContainer object.boolean
DebugStrand.contains
(IElectronContainer electronContainer) True, if the AtomContainer contains the given ElectronContainer object.void
DebugAminoAcid.removeElectronContainer
(IElectronContainer electronContainer) Removes this ElectronContainer from this container.void
DebugAtomContainer.removeElectronContainer
(IElectronContainer electronContainer) Removes this ElectronContainer from this container.void
DebugBioPolymer.removeElectronContainer
(IElectronContainer electronContainer) Removes this ElectronContainer from this container.void
DebugCrystal.removeElectronContainer
(IElectronContainer electronContainer) Removes this ElectronContainer from this container.void
DebugMonomer.removeElectronContainer
(IElectronContainer electronContainer) Removes this ElectronContainer from this container.void
DebugPolymer.removeElectronContainer
(IElectronContainer electronContainer) Removes this ElectronContainer from this container.void
DebugRing.removeElectronContainer
(IElectronContainer electronContainer) Removes this ElectronContainer from this container.void
DebugStrand.removeElectronContainer
(IElectronContainer electronContainer) Removes this ElectronContainer from this container. -
Uses of IElectronContainer in org.openscience.cdk.interfaces
Subinterfaces of IElectronContainer in org.openscience.cdk.interfacesModifier and TypeInterfaceDescriptioninterface
Implements the concept of a covalent bond between two or more atoms.interface
A LonePair is an orbital primarily located with one Atom, containing two electrons.interface
A Single Electron is an orbital which is occupied by only one electron.Methods in org.openscience.cdk.interfaces that return IElectronContainerModifier and TypeMethodDescriptionIAtomContainer.getElectronContainer
(int number) Returns the ElectronContainer at positionnumber
in the container.IAtomContainer.removeElectronContainer
(int position) Removes the bond at the given position from this container.Methods in org.openscience.cdk.interfaces that return types with arguments of type IElectronContainerModifier and TypeMethodDescriptionIAtomContainer.electronContainers()
Returns an Iterable for looping over all electron containers in this container.IAtomContainer.getConnectedElectronContainersList
(IAtom atom) Returns the electron containers (bonds, radicals, and lone pairs ) connected connected to the specified atom.Methods in org.openscience.cdk.interfaces with parameters of type IElectronContainerModifier and TypeMethodDescriptionvoid
IAtomContainer.addElectronContainer
(IElectronContainer electronContainer) Adds a ElectronContainer to this AtomContainer.boolean
IAtomContainer.contains
(IElectronContainer electronContainer) True, if the AtomContainer contains the given ElectronContainer object.void
IAtomContainer.removeElectronContainer
(IElectronContainer electronContainer) Removes this ElectronContainer from this container. -
Uses of IElectronContainer in org.openscience.cdk.isomorphism.matchers
Subinterfaces of IElectronContainer in org.openscience.cdk.isomorphism.matchersModifier and TypeInterfaceDescriptioninterface
Defines the abililty to be matched against IBond's.Classes in org.openscience.cdk.isomorphism.matchers that implement IElectronContainerModifier and TypeClassDescriptionclass
Deprecated.class
Deprecated.class
Deprecated.Usenew QueryBond(beg, end, ORDER, bord)
class
Implements the concept of a "query bond" between two or more atoms.Methods in org.openscience.cdk.isomorphism.matchers that return IElectronContainerModifier and TypeMethodDescriptionQueryAtomContainer.getElectronContainer
(int number) Returns the ElectronContainer at positionnumber
in the container.QueryAtomContainer.removeElectronContainer
(int number) Removes the bond at the given position from this container.Methods in org.openscience.cdk.isomorphism.matchers that return types with arguments of type IElectronContainerModifier and TypeMethodDescriptionQueryAtomContainer.electronContainers()
Returns an Iterable for looping over all electron containers in this container.QueryAtomContainer.getConnectedElectronContainersList
(IAtom atom) Returns an ArrayList of all electronContainers connected to the given atom.Methods in org.openscience.cdk.isomorphism.matchers with parameters of type IElectronContainerModifier and TypeMethodDescriptionvoid
QueryAtomContainer.addElectronContainer
(IElectronContainer electronContainer) Adds a ElectronContainer to this AtomContainer.boolean
QueryAtomContainer.contains
(IElectronContainer electronContainer) True, if the AtomContainer contains the given ElectronContainer object.void
QueryAtomContainer.removeElectronContainer
(IElectronContainer electronContainer) Removes this ElectronContainer from this container. -
Uses of IElectronContainer in org.openscience.cdk.isomorphism.matchers.smarts
Classes in org.openscience.cdk.isomorphism.matchers.smarts that implement IElectronContainerModifier and TypeClassDescriptionclass
Deprecated.class
Deprecated.class
Deprecated.class
Deprecated.class
Deprecated.class
Deprecated.class
Deprecated.class
Deprecated. -
Uses of IElectronContainer in org.openscience.cdk.pharmacophore
Classes in org.openscience.cdk.pharmacophore that implement IElectronContainerModifier and TypeClassDescriptionclass
Represents an angle relationship between three pharmacophore groups.class
Represents a distance relationship between two pharmacophore groups.class
Represents a pharmacophore query angle constraint.class
Represents a pharmacophore query distance constraint. -
Uses of IElectronContainer in org.openscience.cdk.silent
Classes in org.openscience.cdk.silent that implement IElectronContainerModifier and TypeClassDescriptionclass
Implements the concept of a covalent bond between two or more atoms.class
Base class for entities containing electrons, like bonds, orbitals, lone-pairs.class
A LonePair is an orbital primarily located with one Atom, containing two electrons.class
A Single Electron is an orbital which is occupied by only one electron.Methods in org.openscience.cdk.silent that return IElectronContainerModifier and TypeMethodDescriptionAtomContainer.getElectronContainer
(int number) Returns the ElectronContainer at positionnumber
in the container.AtomContainer.removeElectronContainer
(int number) Removes the bond at the given position from this container.Methods in org.openscience.cdk.silent that return types with arguments of type IElectronContainerModifier and TypeMethodDescriptionAtomContainer.electronContainers()
Returns an Iterable for looping over all electron containers in this container.AtomContainer.getConnectedElectronContainersList
(IAtom atom) Returns the electron containers (bonds, radicals, and lone pairs ) connected connected to the specified atom.Methods in org.openscience.cdk.silent with parameters of type IElectronContainerModifier and TypeMethodDescriptionvoid
AtomContainer.addElectronContainer
(IElectronContainer electronContainer) Adds a ElectronContainer to this AtomContainer.boolean
AtomContainer.contains
(IElectronContainer electronContainer) True, if the AtomContainer contains the given ElectronContainer object.void
AtomContainer.removeElectronContainer
(IElectronContainer electronContainer) Removes this ElectronContainer from this container. -
Uses of IElectronContainer in org.openscience.cdk.tools.manipulator
Methods in org.openscience.cdk.tools.manipulator that return IElectronContainerModifier and TypeMethodDescriptionstatic IElectronContainer[]
AtomContainerManipulator.getElectronContainerArray
(List<IElectronContainer> list) Constructs an array of Atom objects from a List of Atom objects.static IElectronContainer[]
AtomContainerManipulator.getElectronContainerArray
(IAtomContainer container) Constructs an array of Bond objects from an AtomContainer.Methods in org.openscience.cdk.tools.manipulator with parameters of type IElectronContainerModifier and TypeMethodDescriptionstatic void
AtomContainerSetManipulator.removeElectronContainer
(IAtomContainerSet set, IElectronContainer electrons) static void
ChemModelManipulator.removeElectronContainer
(IChemModel chemModel, IElectronContainer electrons) Remove an ElectronContainer from all AtomContainers inside an IChemModel.static void
MoleculeSetManipulator.removeElectronContainer
(IAtomContainerSet set, IElectronContainer electrons) static void
ReactionManipulator.removeElectronContainer
(IReaction reaction, IElectronContainer electrons) static void
ReactionSetManipulator.removeElectronContainer
(IReactionSet set, IElectronContainer electrons) Method parameters in org.openscience.cdk.tools.manipulator with type arguments of type IElectronContainerModifier and TypeMethodDescriptionstatic IElectronContainer[]
AtomContainerManipulator.getElectronContainerArray
(List<IElectronContainer> list) Constructs an array of Atom objects from a List of Atom objects. -
Uses of IElectronContainer in org.openscience.cdk.validate
Methods in org.openscience.cdk.validate with parameters of type IElectronContainerModifier and TypeMethodDescriptionAbstractValidator.validateElectronContainer
(IElectronContainer subject) IValidator.validateElectronContainer
(IElectronContainer subject) ValidatorEngine.validateElectronContainer
(IElectronContainer subject)
Expr.Type.SINGLE_OR_AROMATIC
etc.