Uses of Class
org.openscience.cdk.interfaces.IBond.Order
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Uses of IBond.Order in org.openscience.cdk
Fields in org.openscience.cdk declared as IBond.Order Modifier and Type Field Description static IBond.Order
CDKConstants. BONDORDER_DOUBLE
Deprecated.UseIBond.Order
DOUBLE directly.static IBond.Order
CDKConstants. BONDORDER_QUADRUPLE
Deprecated.UseIBond.Order
QUADRUPLE directly.static IBond.Order
CDKConstants. BONDORDER_SINGLE
Deprecated.UseIBond.Order
SINGLE directly.static IBond.Order
CDKConstants. BONDORDER_TRIPLE
Deprecated.UseIBond.Order
TRIPLE directly.protected IBond.Order
Bond. order
The bond order of this bond.Methods in org.openscience.cdk that return IBond.Order Modifier and Type Method Description IBond.Order
AtomRef. getMaxBondOrder()
Gets the MaxBondOrder attribute of the AtomType object.IBond.Order
AtomType. getMaxBondOrder()
Gets the MaxBondOrder attribute of the AtomType object.IBond.Order
AtomContainer. getMaximumBondOrder(IAtom atom)
Returns the maximum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
AtomContainer. getMinimumBondOrder(IAtom atom)
Returns the minimum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
Bond. getOrder()
Returns the bond order of this bond.IBond.Order
BondRef. getOrder()
Returns the bond order of this bond.Methods in org.openscience.cdk with parameters of type IBond.Order Modifier and Type Method Description void
AtomContainer. addBond(int atom1, int atom2, IBond.Order order)
Adds a bond to this container.void
AtomContainer. addBond(int atom1, int atom2, IBond.Order order, IBond.Stereo stereo)
Adds a bond to this container.void
AtomRef. setMaxBondOrder(IBond.Order maxBondOrder)
Sets the MaxBondOrder attribute of the AtomType object.void
AtomType. setMaxBondOrder(IBond.Order maxBondOrder)
Sets the MaxBondOrder attribute of the AtomType object.void
Bond. setOrder(IBond.Order order)
Sets the bond order of this bond.void
BondRef. setOrder(IBond.Order order)
Sets the bond order of this bond.Constructors in org.openscience.cdk with parameters of type IBond.Order Constructor Description Bond(IAtom[] atoms, IBond.Order order)
Constructs a multi-center bond, with a specified order and no stereo information.Bond(IAtom atom1, IAtom atom2, IBond.Order order)
Constructs a bond with a given order.Bond(IAtom atom1, IAtom atom2, IBond.Order order, IBond.Stereo stereo)
Constructs a bond with a given order and stereo orientation from an array of atoms. -
Uses of IBond.Order in org.openscience.cdk.debug
Methods in org.openscience.cdk.debug that return IBond.Order Modifier and Type Method Description IBond.Order
DebugAtom. getMaxBondOrder()
Gets the MaxBondOrder attribute of the AtomType object.IBond.Order
DebugAtomType. getMaxBondOrder()
Gets the MaxBondOrder attribute of the AtomType object.IBond.Order
DebugFragmentAtom. getMaxBondOrder()
Gets the MaxBondOrder attribute of the AtomType object.IBond.Order
DebugPseudoAtom. getMaxBondOrder()
Gets the MaxBondOrder attribute of the AtomType object.IBond.Order
DebugAminoAcid. getMaximumBondOrder(IAtom atom)
Returns the maximum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugAtomContainer. getMaximumBondOrder(IAtom atom)
Returns the maximum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugBioPolymer. getMaximumBondOrder(IAtom atom)
Returns the maximum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugCrystal. getMaximumBondOrder(IAtom atom)
Returns the maximum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugMonomer. getMaximumBondOrder(IAtom atom)
Returns the maximum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugPolymer. getMaximumBondOrder(IAtom atom)
Returns the maximum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugRing. getMaximumBondOrder(IAtom atom)
Returns the maximum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugStrand. getMaximumBondOrder(IAtom atom)
Returns the maximum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugAminoAcid. getMinimumBondOrder(IAtom atom)
Returns the minimum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugAtomContainer. getMinimumBondOrder(IAtom atom)
Returns the minimum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugBioPolymer. getMinimumBondOrder(IAtom atom)
Returns the minimum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugCrystal. getMinimumBondOrder(IAtom atom)
Returns the minimum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugMonomer. getMinimumBondOrder(IAtom atom)
Returns the minimum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugPolymer. getMinimumBondOrder(IAtom atom)
Returns the minimum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugRing. getMinimumBondOrder(IAtom atom)
Returns the minimum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugStrand. getMinimumBondOrder(IAtom atom)
Returns the minimum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
DebugBond. getOrder()
Returns the bond order of this bond.Methods in org.openscience.cdk.debug with parameters of type IBond.Order Modifier and Type Method Description void
DebugAminoAcid. addBond(int atom1, int atom2, IBond.Order order)
Adds a bond to this container.void
DebugAminoAcid. addBond(int atom1, int atom2, IBond.Order order, IBond.Stereo stereo)
Adds a bond to this container.void
DebugAtomContainer. addBond(int atom1, int atom2, IBond.Order order)
Adds a bond to this container.void
DebugAtomContainer. addBond(int atom1, int atom2, IBond.Order order, IBond.Stereo stereo)
Adds a bond to this container.void
DebugBioPolymer. addBond(int atom1, int atom2, IBond.Order order)
Adds a bond to this container.void
DebugBioPolymer. addBond(int atom1, int atom2, IBond.Order order, IBond.Stereo stereo)
Adds a bond to this container.void
DebugCrystal. addBond(int atom1, int atom2, IBond.Order order)
Adds a bond to this container.void
DebugCrystal. addBond(int atom1, int atom2, IBond.Order order, IBond.Stereo stereo)
Adds a bond to this container.void
DebugMonomer. addBond(int atom1, int atom2, IBond.Order order)
Adds a bond to this container.void
DebugMonomer. addBond(int atom1, int atom2, IBond.Order order, IBond.Stereo stereo)
Adds a bond to this container.void
DebugPolymer. addBond(int atom1, int atom2, IBond.Order order)
Adds a bond to this container.void
DebugPolymer. addBond(int atom1, int atom2, IBond.Order order, IBond.Stereo stereo)
Adds a bond to this container.void
DebugRing. addBond(int atom1, int atom2, IBond.Order order)
Adds a bond to this container.void
DebugRing. addBond(int atom1, int atom2, IBond.Order order, IBond.Stereo stereo)
Adds a bond to this container.void
DebugStrand. addBond(int atom1, int atom2, IBond.Order order)
Adds a bond to this container.void
DebugStrand. addBond(int atom1, int atom2, IBond.Order order, IBond.Stereo stereo)
Adds a bond to this container.void
DebugAtom. setMaxBondOrder(IBond.Order maxBondOrder)
Sets the MaxBondOrder attribute of the AtomType object.void
DebugAtomType. setMaxBondOrder(IBond.Order maxBondOrder)
Sets the MaxBondOrder attribute of the AtomType object.void
DebugFragmentAtom. setMaxBondOrder(IBond.Order maxBondOrder)
Sets the MaxBondOrder attribute of the AtomType object.void
DebugPseudoAtom. setMaxBondOrder(IBond.Order maxBondOrder)
Sets the MaxBondOrder attribute of the AtomType object.void
DebugBond. setOrder(IBond.Order order)
Sets the bond order of this bond.Constructors in org.openscience.cdk.debug with parameters of type IBond.Order Constructor Description DebugBond(IAtom[] atoms, IBond.Order order)
DebugBond(IAtom atom1, IAtom atom2, IBond.Order order)
DebugBond(IAtom atom1, IAtom atom2, IBond.Order order, IBond.Stereo stereo)
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Uses of IBond.Order in org.openscience.cdk.interfaces
Methods in org.openscience.cdk.interfaces that return IBond.Order Modifier and Type Method Description IBond.Order
IAtomType. getMaxBondOrder()
Gets the MaxBondOrder attribute of the AtomType object.IBond.Order
IAtomContainer. getMaximumBondOrder(IAtom atom)
Returns the maximum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
IAtomContainer. getMinimumBondOrder(IAtom atom)
Returns the minimum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
IBond. getOrder()
Returns the bond order of this bond.static IBond.Order
IBond.Order. valueOf(String name)
Returns the enum constant of this type with the specified name.static IBond.Order[]
IBond.Order. values()
Returns an array containing the constants of this enum type, in the order they are declared.Methods in org.openscience.cdk.interfaces with parameters of type IBond.Order Modifier and Type Method Description void
IAtomContainer. addBond(int atom1, int atom2, IBond.Order order)
Adds a bond to this container.void
IAtomContainer. addBond(int atom1, int atom2, IBond.Order order, IBond.Stereo stereo)
Adds a bond to this container.void
IAtomType. setMaxBondOrder(IBond.Order maxBondOrder)
Sets the MaxBondOrder attribute of the AtomType object.void
IBond. setOrder(IBond.Order order)
Sets the bond order of this bond. -
Uses of IBond.Order in org.openscience.cdk.isomorphism.matchers
Fields in org.openscience.cdk.isomorphism.matchers declared as IBond.Order Modifier and Type Field Description protected IBond.Order
QueryBond. order
The bond order of this query bond.Methods in org.openscience.cdk.isomorphism.matchers that return IBond.Order Modifier and Type Method Description IBond.Order
QueryAtom. getMaxBondOrder()
Gets the MaxBondOrder attribute of the AtomType object.IBond.Order
QueryAtomContainer. getMaximumBondOrder(IAtom atom)
Returns the maximum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
QueryAtomContainer. getMinimumBondOrder(IAtom atom)
Returns the minimum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
QueryBond. getOrder()
Returns the query bond order of this query bond.Methods in org.openscience.cdk.isomorphism.matchers with parameters of type IBond.Order Modifier and Type Method Description void
QueryAtomContainer. addBond(int atom1, int atom2, IBond.Order order)
Adds a bond to this container.void
QueryAtomContainer. addBond(int atom1, int atom2, IBond.Order order, IBond.Stereo stereo)
Adds a bond to this container.void
QueryAtom. setMaxBondOrder(IBond.Order maxBondOrder)
Sets the MaxBondOrder attribute of the AtomType object.void
QueryBond. setOrder(IBond.Order order)
Sets the bond order of this query bond.Constructors in org.openscience.cdk.isomorphism.matchers with parameters of type IBond.Order Constructor Description OrderQueryBond(IQueryAtom atom1, IQueryAtom atom2, IBond.Order order, IChemObjectBuilder builder)
Deprecated.OrderQueryBondOrderOnly(IQueryAtom atom1, IQueryAtom atom2, IBond.Order order, IChemObjectBuilder builder)
Deprecated.QueryBond(IAtom[] atoms, IBond.Order order, IChemObjectBuilder builder)
Constructs a multi-center query bond, with a specified order and no stereo information.QueryBond(IAtom atom1, IAtom atom2, IBond.Order order, IBond.Stereo stereo, IChemObjectBuilder builder)
Constructs a query bond with a given order and stereo orientation from an array of atoms.QueryBond(IAtom atom1, IAtom atom2, IBond.Order order, IChemObjectBuilder builder)
Constructs a query bond with a given order. -
Uses of IBond.Order in org.openscience.cdk.isomorphism.matchers.smarts
Constructors in org.openscience.cdk.isomorphism.matchers.smarts with parameters of type IBond.Order Constructor Description AnyOrderQueryBond(IQueryAtom atom1, IQueryAtom atom2, IBond.Order order, IChemObjectBuilder builder)
Deprecated.Creates a new instance.AromaticOrSingleQueryBond(IQueryAtom atom1, IQueryAtom atom2, IBond.Order order, IChemObjectBuilder builder)
Deprecated.Creates a new instanceAromaticQueryBond(IQueryAtom atom1, IQueryAtom atom2, IBond.Order order, IChemObjectBuilder builder)
Deprecated.Creates a new instanceOrderQueryBond(IBond.Order order, IChemObjectBuilder builder)
Deprecated.Creates a new instanceSMARTSBond(IQueryAtom atom1, IQueryAtom atom2, IBond.Order order, IChemObjectBuilder builder)
Deprecated. -
Uses of IBond.Order in org.openscience.cdk.libio.jena
Methods in org.openscience.cdk.libio.jena that return IBond.Order Modifier and Type Method Description static IBond.Order
Convertor. resource2Order(org.apache.jena.rdf.model.Resource rdfOrder)
Converts aResource
object into the matchingIBond.Order
.Methods in org.openscience.cdk.libio.jena with parameters of type IBond.Order Modifier and Type Method Description static org.apache.jena.rdf.model.Resource
Convertor. order2Resource(IBond.Order order)
Create theResource
matching the givenIBond.Order
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Uses of IBond.Order in org.openscience.cdk.renderer.generators
Methods in org.openscience.cdk.renderer.generators with parameters of type IBond.Order Modifier and Type Method Description IRenderingElement
BasicBondGenerator. generateBondElement(IBond bond, IBond.Order type, RendererModel model)
Generate a LineElement or an ElementGroup of LineElements for this bond. -
Uses of IBond.Order in org.openscience.cdk.silent
Fields in org.openscience.cdk.silent declared as IBond.Order Modifier and Type Field Description protected IBond.Order
Bond. order
The bond order of this bond.Methods in org.openscience.cdk.silent that return IBond.Order Modifier and Type Method Description IBond.Order
AtomType. getMaxBondOrder()
Gets the MaxBondOrder attribute of the AtomType object.IBond.Order
AtomContainer. getMaximumBondOrder(IAtom atom)
Returns the maximum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
AtomContainer. getMinimumBondOrder(IAtom atom)
Returns the minimum bond order that this atom currently has in the context of this AtomContainer.IBond.Order
Bond. getOrder()
Returns the bond order of this bond.Methods in org.openscience.cdk.silent with parameters of type IBond.Order Modifier and Type Method Description void
AtomContainer. addBond(int atom1, int atom2, IBond.Order order)
Adds a bond to this container.void
AtomContainer. addBond(int atom1, int atom2, IBond.Order order, IBond.Stereo stereo)
Adds a bond to this container.void
AtomType. setMaxBondOrder(IBond.Order maxBondOrder)
Sets the MaxBondOrder attribute of the AtomType object.void
Bond. setOrder(IBond.Order order)
Sets the bond order of this bond.Constructors in org.openscience.cdk.silent with parameters of type IBond.Order Constructor Description Bond(IAtom[] atoms, IBond.Order order)
Constructs a multi-center bond, with a specified order and no stereo information.Bond(IAtom atom1, IAtom atom2, IBond.Order order)
Constructs a bond with a given order.Bond(IAtom beg, IAtom end, IBond.Order order, IBond.Stereo stereo)
Constructs a bond with a given order and stereo orientation from an array of atoms. -
Uses of IBond.Order in org.openscience.cdk.smsd.filters
Methods in org.openscience.cdk.smsd.filters that return IBond.Order Modifier and Type Method Description static IBond.Order
ChemicalFilters. convertOrder(double srcOrder)
Deprecated.Get bond order value asIBond.Order
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Uses of IBond.Order in org.openscience.cdk.smsd.helper
Methods in org.openscience.cdk.smsd.helper that return IBond.Order Modifier and Type Method Description IBond.Order
BondEnergy. getBondOrder()
Deprecated.Returns the bond order for this bond type energy.Constructors in org.openscience.cdk.smsd.helper with parameters of type IBond.Order Constructor Description BondEnergy(String symbol1, String symbol2, IBond.Order order, int energy)
Deprecated.Creates a new bond energy for the given elements and bond order. -
Uses of IBond.Order in org.openscience.cdk.smsd.tools
Methods in org.openscience.cdk.smsd.tools with parameters of type IBond.Order Modifier and Type Method Description int
BondEnergies. getEnergies(String sourceAtom, String targetAtom, IBond.Order bondOrder)
Deprecated.Returns bond energy for a bond type, given atoms and bond typeint
BondEnergies. getEnergies(IAtom sourceAtom, IAtom targetAtom, IBond.Order bondOrder)
Deprecated.Returns bond energy for a bond type, given atoms and bond type -
Uses of IBond.Order in org.openscience.cdk.tools
Methods in org.openscience.cdk.tools with parameters of type IBond.Order Modifier and Type Method Description int
SmilesValencyChecker. calculateNumberOfImplicitHydrogens(IAtom atom, double bondOrderSum, IBond.Order maxBondOrder, int neighbourCount)
Calculates the number of hydrogens that can be added to the given atom to fullfil the atom's valency.boolean
SmilesValencyChecker. couldMatchAtomType(IAtom atom, double bondOrderSum, IBond.Order maxBondOrder, IAtomType type)
Determines if the atom can be of type AtomType. -
Uses of IBond.Order in org.openscience.cdk.tools.diff.tree
Methods in org.openscience.cdk.tools.diff.tree with parameters of type IBond.Order Modifier and Type Method Description static IDifference
BondOrderDifference. construct(String name, IBond.Order first, IBond.Order second)
Constructs a newIDifference
object. -
Uses of IBond.Order in org.openscience.cdk.tools.manipulator
Methods in org.openscience.cdk.tools.manipulator that return IBond.Order Modifier and Type Method Description static IBond.Order
BondManipulator. createBondOrder(double bondOrder)
Convenience method to convert a double into an IBond.Order.static IBond.Order
BondManipulator. decreaseBondOrder(IBond.Order oldOrder)
Returns the IBond.Order one lower.static IBond.Order
AtomContainerManipulator. getMaximumBondOrder(IAtomContainer container)
static IBond.Order
BondManipulator. getMaximumBondOrder(Iterator<IBond> bonds)
Returns the maximum bond order for a List of bonds, given an iterator to the list.static IBond.Order
BondManipulator. getMaximumBondOrder(List<IBond> bonds)
Returns the maximum bond order for a List of bonds.static IBond.Order
BondManipulator. getMaximumBondOrder(IBond.Order firstOrder, IBond.Order secondOrder)
Returns the maximum bond order for the two bond orders.static IBond.Order
BondManipulator. getMaximumBondOrder(IBond firstBond, IBond secondBond)
Returns the maximum bond order for the two bonds.static IBond.Order
BondManipulator. getMinimumBondOrder(Iterator<IBond> bonds)
Returns the minimum bond order for a List of bonds, given an iterator to the list.static IBond.Order
BondManipulator. getMinimumBondOrder(List<IBond> bonds)
Returns the minimum bond order for a List of bonds.static IBond.Order
BondManipulator. increaseBondOrder(IBond.Order oldOrder)
Returns the IBond.Order one higher.Methods in org.openscience.cdk.tools.manipulator with parameters of type IBond.Order Modifier and Type Method Description static IBond.Order
BondManipulator. decreaseBondOrder(IBond.Order oldOrder)
Returns the IBond.Order one lower.static double
BondManipulator. destroyBondOrder(IBond.Order bondOrder)
Deprecated.useIBond.Order.numeric().doubleValue()
insteadstatic IBond.Order
BondManipulator. getMaximumBondOrder(IBond.Order firstOrder, IBond.Order secondOrder)
Returns the maximum bond order for the two bond orders.static IBond.Order
BondManipulator. increaseBondOrder(IBond.Order oldOrder)
Returns the IBond.Order one higher.static boolean
BondManipulator. isHigherOrder(IBond.Order first, IBond.Order second)
Returns true if the first bond has a higher bond order than the second bond.static boolean
BondManipulator. isLowerOrder(IBond.Order first, IBond.Order second)
Returns true if the first bond has a lower bond order than the second bond.
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