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Package ambit2.core.data.distances |
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Class ambit2.core.data.distances.AtomDistanceProcessor extends ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.util.List<AtomDistance>> implements Serializable |
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serialVersionUID: -2602737581794155267L
Package ambit2.core.data.experiment |
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Class ambit2.core.data.experiment.AQUIREStudy extends Study implements Serializable |
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Class ambit2.core.data.experiment.Study extends ambit2.base.data.AmbitBean implements Serializable |
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serialVersionUID: -1502943233991253317L
Serialized Fields |
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ambit2.base.data.Template template
java.util.Hashtable<K,V> studyResults
java.lang.String name
int id
Class ambit2.core.data.experiment.StudyList extends java.util.ArrayList<Study> implements Serializable |
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serialVersionUID: -5279829130669439132L
Class ambit2.core.data.experiment.StudyTemplate extends java.util.ArrayList<TemplateField> implements Serializable |
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serialVersionUID: -9152728910421949089L
Serialized Fields |
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java.lang.String source
TemplateField query
java.lang.String name
int id
Class ambit2.core.data.experiment.TemplateField extends ambit2.base.data.AmbitBean implements Serializable |
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serialVersionUID: 7598061386536935899L
Serialized Fields |
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java.lang.String units
boolean numeric
boolean isResult
java.lang.String name
int id
Package ambit2.core.external |
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Class ambit2.core.external.ShellSDFoutput extends ambit2.base.external.CommandShell<INPUT,org.openscience.cdk.interfaces.IMolecule> implements Serializable |
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serialVersionUID: 8770974107691241294L
Serialized Fields |
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boolean readOutput
Package ambit2.core.groups |
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Class ambit2.core.groups.AbstractGroup extends org.openscience.cdk.PseudoAtom implements Serializable |
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serialVersionUID: -151920308613450648L
Serialized Fields |
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java.util.List<E> atoms
java.util.List<E> bonds
int number
Class ambit2.core.groups.AbstractGroup$SelfIterable$1 extends java.lang.Object implements Serializable |
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Class ambit2.core.groups.ComponentGroup extends AbstractGroup implements Serializable |
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serialVersionUID: -2031261520924881915L
Serialized Fields |
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java.lang.Integer order
Class ambit2.core.groups.ContainerGroup extends AbstractGroup implements Serializable |
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serialVersionUID: -557546576995848521L
Serialized Fields |
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java.util.List<E> components
ContainerGroup.SGROUP_MIXTURE type
Class ambit2.core.groups.DataGroup extends AbstractGroup implements Serializable |
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serialVersionUID: 7303743162178189029L
Serialized Fields |
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org.openscience.cdk.interfaces.IAtom multicenter
Class ambit2.core.groups.GenericGroup extends AbstractGroup implements Serializable |
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serialVersionUID: -5937379235403319622L
Class ambit2.core.groups.GroupException extends java.lang.Exception implements Serializable |
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serialVersionUID: -153833446985294201L
Class ambit2.core.groups.GroupNotFoundException extends GroupException implements Serializable |
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serialVersionUID: 6036398687823875010L
Class ambit2.core.groups.MonomerGroup extends AbstractGroup implements Serializable |
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serialVersionUID: -3150689169759708407L
Class ambit2.core.groups.MultipleGroup extends AbstractGroup implements Serializable |
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serialVersionUID: -9110648470808236343L
Serialized Fields |
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int multiplier
int number
java.util.List<E> parentAtoms
java.util.List<E> parentBonds
boolean expanded
Class ambit2.core.groups.StructureRepeatingUnit extends AbstractGroup implements Serializable |
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serialVersionUID: -3315050830717056405L
Class ambit2.core.groups.SuperAtom extends AbstractGroup implements Serializable |
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serialVersionUID: -3485052440705149342L
Serialized Fields |
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boolean expanded
java.util.List<E> contractedBonds
Class ambit2.core.groups.SuppleAtomContainer extends org.openscience.cdk.ChemObject implements Serializable |
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serialVersionUID: -3228354237961385902L
Serialized Fields |
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FilteredList<T> atoms
FilteredList<T> bonds
java.util.List<E> lonePairs
java.util.List<E> singleElectrons
java.util.Map<K,V> atomParities
Class ambit2.core.groups.UnsupportedGroupOperation extends GroupException implements Serializable |
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serialVersionUID: 8464902380972553534L
Package ambit2.core.io |
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Class ambit2.core.io.FileInputState extends FileState implements Serializable |
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Class ambit2.core.io.FileOutputState extends FileState implements Serializable |
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Class ambit2.core.io.FileState extends com.jgoodies.binding.beans.Model implements Serializable |
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serialVersionUID: -9098389880881547516L
Serialization Methods |
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private void readObject(java.io.ObjectInputStream in) throws java.io.IOException, java.lang.ClassNotFoundException
java.io.IOException
java.lang.ClassNotFoundException
private void writeObject(java.io.ObjectOutputStream out) throws java.io.IOException
java.io.IOException
Serialized Fields |
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java.lang.String responseType
java.lang.String[] supportedExtensions
java.lang.String[] extensionDescriptions
java.lang.String filename
long length
long lastModified
int hashCode
long offset
long currentRecord
org.openscience.cdk.io.formats.IChemFormat fileFormat
Package ambit2.core.processors |
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Class ambit2.core.processors.AbstractRepresentationConvertor extends ambit2.base.processors.DefaultAmbitProcessor<Content,R> implements Serializable |
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serialVersionUID: 3205584753771251514L
Serialized Fields |
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ambit2.base.processors.Reporter<Content,Output> reporter
java.lang.Object mediaType
Class ambit2.core.processors.ProcessorFileExport extends ambit2.base.processors.DefaultAmbitProcessor<Content,FileOutputState> implements Serializable |
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serialVersionUID: -5006607500469902058L
Serialized Fields |
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FileOutputState output
Package ambit2.core.processors.batch |
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Class ambit2.core.processors.batch.DefaultInputState extends DefaultIOState implements Serializable |
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serialVersionUID: 8642417087199310257L
Class ambit2.core.processors.batch.DefaultIOState extends java.lang.Object implements Serializable |
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Serialized Fields |
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long currentRecord
java.lang.String responseType
Package ambit2.core.processors.quality |
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Class ambit2.core.processors.quality.ChemicalStructureQualityCheck extends ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IMolecule,ambit2.base.data.QLabel> implements Serializable |
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serialVersionUID: -518931054923701570L
Serialized Fields |
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ambit2.base.data.AmbitUser qualityVerifier
org.openscience.cdk.interfaces.IMolecule groundTruth
org.openscience.cdk.isomorphism.IsomorphismTester isoTester
Package ambit2.core.processors.structure |
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Class ambit2.core.processors.structure.AbstractPropertyGenerator extends ambit2.base.processors.DefaultAmbitProcessor<ambit2.base.interfaces.IStructureRecord,ambit2.base.interfaces.IStructureRecord> implements Serializable |
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serialVersionUID: 6923827535809255431L
Serialized Fields |
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MoleculeReader reader
Class ambit2.core.processors.structure.AtomConfigurator extends ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,org.openscience.cdk.interfaces.IAtomContainer> implements Serializable |
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serialVersionUID: -1245226849382037921L
Class ambit2.core.processors.structure.CloneProcessor extends ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,org.openscience.cdk.interfaces.IAtomContainer> implements Serializable |
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serialVersionUID: -3628034858252983090L
Class ambit2.core.processors.structure.FingerprintGenerator extends ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.util.BitSet> implements Serializable |
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serialVersionUID: 3905797414723139887L
Serialized Fields |
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int FPLength
org.openscience.cdk.fingerprint.Fingerprinter fingerprinter
boolean hydrogens
org.openscience.cdk.tools.HydrogenAdder hAdder
AtomConfigurator config
Class ambit2.core.processors.structure.HydrogenAdderProcessor extends AtomConfigurator implements Serializable |
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serialVersionUID: -6788800174158558265L
Serialized Fields |
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org.openscience.cdk.tools.CDKHydrogenAdder adder
boolean addEexplicitHydrogens
Class ambit2.core.processors.structure.InchiProcessor extends ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,org.openscience.cdk.inchi.InChIGenerator> implements Serializable |
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serialVersionUID: -9052892261511104974L
Class ambit2.core.processors.structure.MoleculeReader extends ambit2.base.processors.DefaultAmbitProcessor<ambit2.base.interfaces.IStructureRecord,org.openscience.cdk.interfaces.IAtomContainer> implements Serializable |
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serialVersionUID: 1811923574213153916L
Class ambit2.core.processors.structure.MoleculeWriter extends ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String> implements Serializable |
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serialVersionUID: 7007704004927846803L
Class ambit2.core.processors.structure.StructureTypeProcessor extends ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,AmbitCONSTANTS.STRUC_TYPE> implements Serializable |
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serialVersionUID: 470417245691484159L
Package ambit2.core.processors.structure.key |
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Class ambit2.core.processors.structure.key.CASKey extends PropertyKey<java.lang.String> implements Serializable |
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serialVersionUID: 3848970585289051369L
Serialized Fields |
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ambit2.base.data.Property key
Class ambit2.core.processors.structure.key.DSSToxCID extends PropertyKey<java.lang.Number> implements Serializable |
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serialVersionUID: -5172763951258433726L
Class ambit2.core.processors.structure.key.DSSToxRID extends PropertyKey<java.lang.Number> implements Serializable |
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serialVersionUID: 2117618200041344844L
Class ambit2.core.processors.structure.key.EINECSKey extends PropertyKey implements Serializable |
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serialVersionUID: -9098011521397491242L
Class ambit2.core.processors.structure.key.EmptyKey extends ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String> implements Serializable |
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serialVersionUID: -2365056130992400384L
Class ambit2.core.processors.structure.key.InchiKey extends ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String> implements Serializable |
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serialVersionUID: -4957862884677389524L
Serialized Fields |
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InchiProcessor inchi
java.lang.Object key
Class ambit2.core.processors.structure.key.InchiPropertyKey extends PropertyKey<java.lang.String> implements Serializable |
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serialVersionUID: 1718062022783509128L
Class ambit2.core.processors.structure.key.PropertyKey extends ambit2.base.processors.DefaultAmbitProcessor<ambit2.base.interfaces.IStructureRecord,Result> implements Serializable |
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serialVersionUID: 6393097111823664858L
Serialized Fields |
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ambit2.base.data.Property key
Class ambit2.core.processors.structure.key.PubchemCID extends PropertyKey<java.lang.Number> implements Serializable |
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serialVersionUID: -5172763951258433726L
Class ambit2.core.processors.structure.key.SmilesKey extends ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String> implements Serializable |
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serialVersionUID: 8319267963784553472L
Serialized Fields |
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org.openscience.cdk.smiles.SmilesGenerator gen
java.lang.Object key
Package ambit2.core.smiles |
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Class ambit2.core.smiles.OpenBabelShell extends ShellSDFoutput<java.lang.String> implements Serializable |
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serialVersionUID: -89551999366481056L
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