boolean hydrogens
String relationship
String title
String URL
int id
boolean editable
ILiteratureEntry._type type
TypedListModel<P> fields
List<E> visibleIndex
Boolean visibility
PropertyAnnotations annotations
boolean isNominal
String name
String label
String units
int id
int order
Class<T> clazz
boolean enabled
ILiteratureEntry reference
List<E> allowedValues
boolean preferedStructure
int dataEntryID
int id_srcdataset
String inchiKey
String formula
String smiles
String inchi
int idchemical
int idstructure
String content
String format
ILiteratureEntry reference
Map<K,V> properties
IStructureRecord.STRUC_TYPE type
boolean selected
List<E> facets
List<E> externalids
String ownerUUID
String ownerName
int idsubstance
String substancetype
String internalName
String publicName
String internalUUID
String refsubstance_uuid
List<E> measurements
List<E> relatedStructures
int id
String sampleID
Object unit
String loQualifier
Double loValue
String upQualifier
Double upValue
Object conditions
Object textValue
String errQualifier
Double errValue
int idresult
Integer endpointGroup
List<E> endpointSynonyms
Object endpoint
String endpointType
ReliabilityParams<VALUE> reliability
String interpretationResult
String interpretationCriteria
Object parameters
ambit2.base.data.study.Citation reference
List<E> effects
String companyName
Object protocol
String substanceUUID
String companyUUID
String documentUUID
UUID investigationUUID
UUID assayUUID
Date updated
String referenceSubstanceUUID
String title
String url
int stars
String licenseURI
String rightsHolder
String maintainer
String name
int id
String userName
String description
UUID bundle_number
String status
int referenceID
int version
long created
long updated
ReliabilityParams._r_flags studyResultType
boolean extendedURI
String topcategory
String endpointcategory
String identifier
int code
String url
ProtocolApplication<PROTOCOL,PARAMS,ENDPOINT,CONDITIONS,UNIT> papp
CommandShell<INPUT,OUTPUT> shell
net.idea.modbcum.i.processors.IProcessor<Target,Result> processor
net.idea.modbcum.i.processors.ProcessorsChain<Target,Result,P extends net.idea.modbcum.i.processors.IProcessor> processor
boolean cancelled
long timeout
Object output
BatchProcessor<INPUT,Target> batch
String licenseURI
net.idea.modbcum.i.processors.ProcessorsChain<Target,Result,P extends net.idea.modbcum.i.processors.IProcessor> processors
Object request
Template profile
AbstractFinder.MODE mode
IStructureRecord structure1
IStructureRecord structure2
Serializable relation
Object relationType
String name
boolean hidden
String compositionUUID
Object value
Object[] result
int maxLevels
String factory
String id
String name
List<E> parameters
Serializable content
Algorithm.AlgorithmFormat format
String[] type
String endpoint
Algorithm.requires requirement
String implementationOf
String description
Template input
String endpoint
boolean hidden
Template predictors
Template dependent
PredictedVarsTemplate predicted
String[] parameters
List<E> evaluations
int stars
Object instances
Object testInstances
String algorithm
Object content
Integer id
String name
String contentMediaType
String creator
boolean readOutput
Integer order
List<E> components
ContainerGroup.SGROUP_MIXTURE type
org.openscience.cdk.interfaces.IAtom multicenter
FilteredList<T> atoms
FilteredList<T> bonds
List<E> lonePairs
List<E> singleElectrons
Set<E> stereoElements
private void readObject(ObjectInputStream in) throws IOException, ClassNotFoundException
IOException
ClassNotFoundException
private void writeObject(ObjectOutputStream out) throws IOException
IOException
String responseType
String[] supportedExtensions
String[] extensionDescriptions
String filename
long length
long lastModified
int hashCode
long offset
long currentRecord
org.openscience.cdk.io.formats.IChemFormat fileFormat
com.fasterxml.jackson.databind.ObjectMapper dx
com.fasterxml.jackson.databind.JsonNode dxRoot
PropertyAnnotations categories
boolean sparseproperties
boolean atomtypeasproperties
boolean enabled
org.openscience.cdk.config.Isotopes isotopesFactory
FileOutputState output
String licenseURI
org.openscience.cdk.layout.StructureDiagramGenerator sdg
DXParser dxParser
boolean build2D
org.openscience.cdk.io.formats.IChemFormat fileFormat
long currentRecord
String responseType
AmbitUser qualityVerifier
org.openscience.cdk.interfaces.IAtomContainer groundTruth
org.openscience.cdk.isomorphism.IsomorphismTester isoTester
MoleculeReader reader
int FPLength
org.openscience.cdk.fingerprint.IFingerprinter fingerprinter
boolean hydrogens
org.openscience.cdk.tools.CDKHydrogenAdder hAdder
AtomConfigurator config
org.openscience.cdk.tools.CDKHydrogenAdder adder
boolean addEexplicitHydrogens
org.openscience.cdk.inchi.InChIGeneratorFactory factory
MoleculeReader reader
org.openscience.cdk.interfaces.IAtomContainer[] molecules
Property smartsProperty
org.openscience.cdk.inchi.InChIGeneratorFactory inchiFactory
CASProcessor casTransformer
org.openscience.cdk.smiles.SmilesParser smiParser
org.openscience.cdk.tools.CDKHydrogenAdder hadder
boolean atomtypingonsmiles
boolean removeCDKTitle
Property key
CASProcessor transformer
InchiProcessor inchi
Object key
InchiProcessor inchi
Property key
org.openscience.cdk.smiles.SmilesGenerator gen
Object key
boolean hydrogens
String outputFileName
int size
ResultSet resultSet
QueryExecutor<Q extends net.idea.modbcum.i.IQueryObject> executor
boolean handlePrescreen
CreateStoredQuery cache
UpdateExecutor<Q extends net.idea.modbcum.i.query.IQueryUpdate> cacheUpdater
ambit2.db.MyQuery strucQuery
QueryCachedResultsBoolean hits
QueryExecutor<Q extends net.idea.modbcum.i.IQueryObject> lookup
ProcessorStructureRetrieval retriever
PreparedStatement ps_structures
PreparedStatement ps_structurebyid
ResultSet rs
int width
int height
boolean legend
String param
boolean thumbnail
boolean logX
boolean logY
Property property
Property property
Property property
StructureRelation result
String creator
String sql
BookmarksByTopicFacet record
BundleSummaryFacet record
BundleRoleFacet record
BundleRoleFacet record
BundleRoleFacet record
net.idea.modbcum.i.facet.IFacet<T> record
IStructureRecord structure
EndpointCompoundFacet record
net.idea.modbcum.i.facet.IFacet<T> record
PropertyDatasetFacet<PROPERTY,DATASET> record
DatasetConsensusLabelFacet record
boolean summary
DatasetStructureQLabelFacet record
DatasetStrucTypeFacet record
CreatePropertyAnnotation annotationsWriter
CreateProperty propertyWriter
DatasetTemplateAddProperty templateDefWriter
SourceDataset dataset
RetrieveFieldNames selectField
ReadProperty readProperty
AbstractRepositoryWriter.OP operation
UpdateExecutor<Q extends net.idea.modbcum.i.query.IQueryUpdate> exec
QueryExecutor<Q extends net.idea.modbcum.i.IQueryObject> queryexec
net.idea.modbcum.i.query.IQueryUpdate<Group,Target> queryCreate
net.idea.modbcum.i.query.IQueryUpdate<Group,Target> queryDelete
net.idea.modbcum.i.query.IQueryUpdate<Group,Target> queryUpdate
ILiteratureEntry reference
boolean metadata
String[] sql
DescriptorValue2Property helper
Connection connection
SessionID sessionID
DatasetAddStructure datasetAddStruc
CreateStructure createStructure
UpdateStructure updateStructure
PropertyValuesWriter propertyWriter
SourceDataset dataset
ReadDataset readDatasetQuery
DescriptorsFactory d
DbDescriptorValuesWriter writer
DescriptorValue2Property selfwriter
MoleculeReader reader
HydrogenAdderProcessor ha
AtomConfigurator cfg
PropertyCalculationProcessor calc
FPTable fpTable
BigInteger[] h16
PreparedStatement ps_bitset
String sql
Boolean tag
IStoredQuery result
boolean copy
boolean delete
Template profile
UpdateExecutor<Q extends net.idea.modbcum.i.query.IQueryUpdate> exec
QueryExecutor<Q extends net.idea.modbcum.i.IQueryObject> qexec
String queryName
SessionID session
Dictionary[] template
UpdateExecutor<Q extends net.idea.modbcum.i.query.IQueryUpdate> executor
ProcessorOntology.OP operation
ProcessorOntology.SIDE currentSide
net.idea.modbcum.i.IQueryRetrieval<ResultType> query
net.idea.modbcum.i.IQueryRetrieval<ResultType> query
QueryExecutor<Q extends net.idea.modbcum.i.IQueryObject> exec
PropertyValuesWriter propertyWriter
IStructureKey<Target,Result> queryKey
AbstractStructureQuery<F,T,C extends net.idea.modbcum.i.IQueryCondition> query_property
DatasetAddStructure datasetAddStruc
LiteratureEntry reference
DbStructureWriter structureWriter
QueryByIdentifierWithStructureFallback query
QueryFieldNumeric queryNum
PreparedStatement ps_seekdataset
StructureNormalizer normalizer
boolean useExistingStructure
String idchemical_tag
PreparedStatement ps_descriptorvalue_string
PreparedStatement ps_descriptorvalue_number
PreparedStatement ps_insertstring
IStructureRecord structure
SourceDataset dataset
PreparedStatementBatchExecutor<Q extends net.idea.modbcum.i.query.IQueryUpdate> tuples_batchExecutor
PreparedStatementBatchExecutor<Q extends net.idea.modbcum.i.query.IQueryUpdate> property_batchExecutor
Property
objectsCreateProperty qProperty
PreparedStatementBatchExecutor<Q extends net.idea.modbcum.i.query.IQueryUpdate> pstring_batchExecutor
PreparedStatementBatchExecutor<Q extends net.idea.modbcum.i.query.IQueryUpdate> pnum_batchExecutor
UpdateStructurePropertyIDNumber qNumber
UpdateStructurePropertyIDString qString
RetieveFeatures features
Property
, assigned to this structure and retrieves IDs from properties table.MoleculeReader molReader
FingerprintGenerator<FGenerator extends org.openscience.cdk.fingerprint.IFingerprinter> g
CreateQLabelFingerprints query
SmilesUniquenessCheck querySmiles
MoleculeReader molReader
FingerprintGenerator<FGenerator extends org.openscience.cdk.fingerprint.IFingerprinter> g
SmilesKey smilesKey
ValuesQualityCheck query
RetrieveField<ResultType> field
int id
AbstractPropertyWriter.mode error
Property property
Object value
MoleculeReader transform
RetrieveStructure reader
ReadDataset readDataset
boolean addNew
AbstractPropertyRetrieval.SearchMode searchMode
boolean chemicalsOnly
String sql_structure
String sql_structure_novalue
String sql_chemical
String sql_chemical_novalue
String where
IStructureRecord record
String sql_grouped
IStructureRecord record
boolean addNew
RetrieveProfileValues.SearchMode searchMode
boolean chemicalsOnly
String sql_structure
String sql_structure_novalue
String sql_chemical
String sql_chemical_novalue
String sql_propery
String sql_alias
String sql_name
Boolean chemicalsOnly
IStructureRecord record
boolean addNew
String sql_property
String sql_structure
String sql_chemical
boolean preferedStructure
String sql_prefered
IStructureRecord record
boolean addPropertiesToTemplate
net.idea.modbcum.i.IQueryRetrieval<ResultType> propertyQuery
RetrieveField<ResultType> names
QueryExecutor<Q extends net.idea.modbcum.i.IQueryObject> executort
QueryExecutor<Q extends net.idea.modbcum.i.IQueryObject> executorn
CompoundImageTools depict
MoleculeReader reader
CreateStoredQuery cache
UpdateExecutor<Q extends net.idea.modbcum.i.query.IQueryUpdate> cacheUpdater
ambit2.db.reporters.MyQuery strucQuery
String mainType
String subType
Property img
CachedImage<MORE> imageWrapper
MoleculeReader reader
int numberofHeaderLines
boolean writeCompoundURI
Property similarityColumn
String licenseColumn
String[] folders
SubstanceEndpointsBundle[] bundles
String urlPrefix
String separator
String lineseparator
String jsonpcallback
MoleculeReader reader
CompoundImageTools depict
com.lowagie.text.pdf.PdfPTable table
com.lowagie.text.Font font
QueryExecutor<Q extends net.idea.modbcum.i.IQueryObject> exec
RetrieveProfileValuesAsRow chunkQuery
Profile<P extends Property> template
int index
int[] idstructure
int[] idcompound
Template template
boolean MOLONLY
MoleculeReader reader
boolean first
boolean changeLineSeparators
Profile<P extends Property> groupProperties
org.apache.poi.ss.usermodel.Workbook workbook
org.apache.poi.ss.usermodel.Sheet sheet
org.apache.poi.ss.usermodel.DataFormat dataformat
org.apache.poi.ss.usermodel.CellStyle style
OutputStream out
boolean writingStarted
String fileExtension
org.apache.poi.ss.usermodel.Drawing<T extends org.apache.poi.ss.usermodel.Shape> drawing
ImageReporter<Q extends net.idea.modbcum.i.IQueryRetrieval<IStructureRecord>> imageReporter
ProcessorStructureRetrieval component
Dimension d
int offset
int rowIndex
StudyFormatter formatter
Map<K,V> mergedProperties
org.apache.poi.ss.usermodel.CellStyle style
org.apache.poi.ss.usermodel.CellStyle hstyle
org.apache.poi.ss.usermodel.CellStyle blueStyle
org.apache.poi.ss.usermodel.Font blackFont
org.apache.poi.ss.usermodel.Font blueFont
org.apache.poi.ss.usermodel.Font redFont
boolean autosizecolumn
AddDimensionedImage imgHelper
int rowIndex
int substanceIndex
StudyFormatter formatter
org.apache.poi.ss.usermodel.CellStyle sectionStyle
org.apache.poi.ss.usermodel.CellStyle hstyle
org.apache.poi.ss.usermodel.CellStyle tableStyle
org.apache.poi.ss.usermodel.Font blackFont
org.apache.poi.ss.usermodel.Font blueFont
org.apache.poi.ss.usermodel.Font redFont
net.idea.modbcum.i.IQueryRetrieval<ResultType> query
CachedRowSet rowset
QueryExecutor<Q extends net.idea.modbcum.i.IQueryObject> executor
String propertyname
boolean ready
Connection connection
ResultSet records
int maxRecords
ISelectableRecords.SELECTION_MODE selectionMode
AbstractStructureQuery<F,T,C extends net.idea.modbcum.i.IQueryCondition> storedResults
RetrieveAtomContainer retrieveMolecule
RetrieveField<ResultType> retrieveField
TypedListModel<P> fields
Hashtable<K,V> properties
Hashtable<K,V> order
UpdateExecutor<Q extends net.idea.modbcum.i.query.IQueryUpdate> updateExecutor
QueryExecutor<Q extends net.idea.modbcum.i.IQueryObject> queryMolecule
QueryExecutor<Q extends net.idea.modbcum.i.IQueryObject> queryExecutor
QueryExecutor<Q extends net.idea.modbcum.i.IQueryObject> queryFieldExecutor
PropertyChangeListener propertyListener
StructureStatisticsProcessor statsProcessor
net.idea.modbcum.i.IQueryRetrieval<ResultType>[] queryFields
StructureRecord workingRecord
ArrayList<E> queries
Integer id
net.idea.modbcum.i.IQueryObject<ResultType> scope
QueryCombined.COMBINE combine_queries
PreparedStatement sresults
Statement statement
String paged_limit
String LIMIT
int resultType
int resultTypeConcurency
IStructureRecord maxValue
boolean chemicalsOnly
Integer id
Property property
IStoredQuery query
Range<T extends Comparable<T>> metric
Range<T extends Comparable<T>> value
String sql
String sql
SimilarityRelation relation
double threshold
Property property
AbstractPropertyRetrieval.SearchMode searchMode
ProcessorStructureRetrieval reader
Profile<P extends Property> profile
boolean order_descendant
boolean chemicalsOnly
boolean nanomaterial
Double maxValue
String sql
long maxRecords
int page
boolean chemicalsOnly
Double maxValue
QueryPrescreenBitSet screening
Property smartsProperty
boolean retrieveProperties
boolean caseSensitive
net.idea.modbcum.i.IQueryCondition nameCondition
AbstractPropertyRetrieval.SearchMode searchMode
String where_all
String where_equal
String where_name
AbstractPropertyRetrieval.SearchMode searchMode
Number maxValue
QueryCombinedStructure query
QueryStructure query
MoleculeReader reader
SmilesKey smiles
long pageSize
double threshold
boolean forceOrdering
AbstractStructureQuery<F,T,C extends net.idea.modbcum.i.IQueryCondition> query
FingerprintGenerator<FGenerator extends org.openscience.cdk.fingerprint.IFingerprinter> g
MoleculeReader molReader
org.openscience.cdk.isomorphism.UniversalIsomorphismTester uit
SmartsToChemObject smartsToChemObject
QueryPrescreenBitSet screening
Property smartsProperty
boolean fp1024_screening
boolean sk1024_screening
boolean usePrecalculatedAtomProperties
org.openscience.cdk.interfaces.IChemObjectBuilder builder
SmilesKey smilesKey
AtomConfigurator configurator
IStructureRecord maxValue
int metric
String text
ChemSpaceCell cell
ChemicalSpaceQuery.ChemSpaceMethod method
double threshold_similarity
double threshold_dactivity
int maxPoints
String sql
int[] index
double[] left
double[] right
double distance
PropertyValuesWriter writer
net.idea.modbcum.i.IQueryRetrieval<ResultType> query
QueryExecutor<Q extends net.idea.modbcum.i.IQueryObject> exec
IStructureRecord[] records
String sql
String sql
String sql
String sql1
String sql2
IStructureRecord[] records
int id
ISourceDataset dataset
Property property
double activityThreshold
double similarityThreshold
QMap<P extends Property> qmap
IStructureRecord record
double g2
double a
double b
double c
double d
double fisher
StringBuilder condition
QMap<P extends Property> qmap
QMapSpace qspace
int threshold_a
StringBuilder conditionString
SubstanceRecord record
String endpoint
String interpretation_result
QueryCountProtocolApplications._mode_related mode
SubstanceEndpointsBundle bundle
SubstanceRecord record
boolean retrieveComposition
SubstanceRecord record
SubstanceRecord record
ReadSubstanceByName._namecondition condition
SubstanceRecord record
SubstanceRecord record
SubstanceRecord record
SubstanceRecord record
ReadSubstance rq
net.idea.modbcum.p.QueryExecutor<Q extends net.idea.modbcum.i.IQueryObject> qx
SubstanceEndpointsBundle bundle
net.idea.modbcum.p.UpdateExecutor<Q extends net.idea.modbcum.i.query.IQueryUpdate> writer
DeleteMatrixValue<VALUE> query_effectrecord
DeleteMatrixProtocolApplicationValue<VALUE> query_interpretation_result
boolean i5mode
CreateSubstance q
UpdateSubstanceIdentifiers<C extends SubstanceRecord> qids
UpdateSubstanceRelation qr
UpdateSubstanceStudy qss
UpdateEffectRecords qeffr
DeleteEffectRecords deffr
UpdateExecutor<Q extends net.idea.modbcum.i.query.IQueryUpdate> x
DeleteStudy deleteStudy
DeleteSubstanceRelation deleteComposition
AddSubstanceToBundle qbundles
AddAllChemicalsperSubstanceToBundle qchembundles
RepositoryWriter writer
boolean clearMeasurements
boolean importBundles
boolean keepEffectRecordsForDocUUID
PropertyKey<Result> componentsMatch
boolean clearComposition
boolean splitRecord
SubstanceRecord importedRecord
IStructureRecord record
CompositionRelation record
boolean excludeHidden
SubstanceEndpointsBundle bundle
SubstanceRecord record
String _sql
ProtocolApplication<PROTOCOL,PARAMS,ENDPOINT,CONDITIONS,UNIT> record
SubstanceStudyFlatQuery flatQuery
ReadEffectRecord effectQuery
ReadSubstanceStudy<PA extends ProtocolApplication<Protocol,String,String,IParams,String>> paQuery
List<E> measurements
SubstanceRecord fieldname
com.fasterxml.jackson.databind.ObjectMapper dx
String name
String sql
OwnerFacet record
Object result
BundleRoleFacet bundleRole
String subcategory
Protocol._categories endpoint
int substancesCount
List<E> bundles
SubstanceRecord record
SubstanceStudyFacet record
boolean groupByInterpretationResult
String topcategory
String facetURL
boolean reuseRecord
String category
boolean queryExpansion
boolean enableFeatures
SubstanceByCategoryFacet facet
SubstanceEndpointsBundle bundle
String b_sql
SubstanceEndpointsBundle bundle
ReadEffectRecordByBundleMatrix._matrix matrix
boolean enableFeatures
net.idea.modbcum.i.facet.IFacet<T> facet
String QR_PREFIX
boolean fieldname_dataset
boolean value_dataset
IStructureRecord structure
String sql
String sql_chemical
String sql_structure
String sql_datasetid
QueryFingerprints._order order
String sql
CreateAtomEnvironment g
String sql
CreateSMARTSData g
CachedRowSet records
int page
LoginInfo loginInfo
Profile<P extends Property> profile
DictionaryQueryPanel panel
ListEditor listEditor
com.jgoodies.binding.PresentationModel<B> model
JComponent mainPanel
com.jgoodies.binding.PresentationModel<B> presentationModel
AmbitRows<T> properties
AmbitRows<T> stats
PropertyStatsString queryStringStartsWith
AmbitRows<T> properties
AmbitRows<T> stats
PropertyStatsNumeric statsQuery
PropertyStats<T extends Comparable<T>> propertyStats
com.jgoodies.binding.PresentationModel<B> statsAdapter
JTable table
QueryInfo object
ambit2.dbui.QueryInfoModel detailsModel
JTextField tf_identifier1
JTextField tf_identifier2
JTextField tf_identifier3
JTextField tf_formula
JTextField tf_smiles
JTextField tf_inchi
JComboBox<E> threshold
JComboBox<E> dataset
JComboBox<E> fieldnames1
JComboBox<E> fieldnames2
JComboBox<E> fieldnames3
JComboBox<E> method
JComboBox<E> scope
JComboBox<E> cond1
JComboBox<E> cond2
JComboBox<E> cond3
JComboBox<E> and
Panel2D<A extends IMoleculeEditAction> panel2d
ListEditor editor
ambit2.dbui.ScopeListModel model
SmartsToChemObject smartsToChemObject
AmbitRows<T> queries
SearchStoredQueries searchStoredQuery
CachedRowSetTableModel srtm
boolean editable
QueryBrowser<T extends TableModel> browser
List<E> buttons
ProcessorOntology processor
QueryOntology[] query
ListEditor[] listEditor
AmbitRows<T>[] rows
ImageIcon folderIcon
JComponent component
int levels
int atomno
String central_atom
int[] atom_environment
long time_elapsed
int status
int frequency
Hashtable<K,V> properties
ISmartsPattern<T> query
boolean enabled
boolean verboseMatch
Object trace
org.openscience.cdk.qsar.result.IDescriptorResult result
org.openscience.cdk.qsar.IDescriptor descriptor
org.openscience.cdk.tools.CDKHydrogenAdder hAdder
AtomEnvironmentDescriptor aeDescriptor
Object[] aeParams
boolean useHydrogens
Integer maxLevels
boolean createSubLevels
boolean noDuplicates
FPTable fpmode
String title
boolean noDuplicates
org.openscience.cdk.tools.CDKHydrogenAdder hAdder
AtomEnvironentMatrix matrix
FPTable fpmode
Dimension imageSize
org.openscience.cdk.qsar.DescriptorEngine engine
boolean convertToString
NumberFormat format
int index
IStructureRecord structure
double Fmin
double Fmax
double FStep
double Resolution
double kernelH
double[] FGrid
boolean FInterpolate
String KernelName
double multiplier
double R
double[] FMeanVector
double[] FScaleVector
int[] FIndices
double[] EigenValues
Jama.Matrix EigenVectors
Jama.Matrix EigenVectorsInverse
double[] FScaleInverse
double[] FMinVector
double[] FMaxVector
int FInputDescriptorNumber
int FOutputDescriptorNumber
boolean FEnabled
double FDescriptorsRankThreshold
int[] TransformError
DragonDescriptorDictionary descriptors
String[] inFile
String[] outFile
boolean enabled
File outputDir
File exportConfig
File xmlISAConfig
File externalDataFile
ExternalDataFileManager extDataManager
OntologyManager1_0 ontologyManager
ISAJsonExportConfig cfg
Investigation investigation
ISAJsonMapper1_0 isaMapper
org.openscience.cdk.interfaces.IAtomContainer molecule
org.openscience.jchempaint.JChemPaintPanel jcpep
int result
org.openscience.cdk.interfaces.IAtomContainerSet molecules
org.openscience.cdk.interfaces.IChemModel jcpModel
org.openscience.cdk.layout.StructureDiagramGenerator sdg
Component parentComponent
JChemPaintDialog jcpDialog
boolean modal
ADomainMethodType appDomainMethodType
double threshold
double pThreshold
Kernel theKernel
KDensity1D[] kdeList
int nGrid
DatasetCenterPoint datasetCenterPoint
boolean scale
boolean pca
boolean boxcox
double[] mindata
double[] maxdata
OrthogonalTransform pcaTransform
double[] meandata
private void readObject(ObjectInputStream stream) throws IOException, ClassNotFoundException
IOException
ClassNotFoundException
private void writeObject(ObjectOutputStream stream) throws IOException
IOException
Jama.Matrix X
private void readObject(ObjectInputStream stream) throws IOException, ClassNotFoundException
IOException
ClassNotFoundException
private void writeObject(ObjectOutputStream stream) throws IOException
IOException
Jama.Matrix X
int fingerPrintLength
int fingerprintsCalculated
BitSet consensusFingerprint
double[] fpProfile
ShellSmi2SDF smi2sdf
ShellMengine mengine
ShellBalloon shellBalloon
OpenBabelGen3D shell
IStructureRecord record
uk.ac.cam.ch.wwmm.opsin.NameToStructure nameToStructure
EntrezESearchParser parser
PUGProcessor pug
boolean retrieve_sdf
long wait_ms
String nci_url
String host
NCISearchProcessor.METHODS option
QuerySupport<Target,Result> support
boolean retrieveConformers
int status
PUGRestImageRequest.IMAGE_SIZE imageSize
PUGRestImageRequest.RECORD_TYPE recordType
int width
int height
PUGRestRequest.COMPOUND_DOMAIN_INPUT input
PUGRestRequest.COMPOUND_DOMAIN_OPERATION operation
PUGRestRequest.COMPOUND_DOMAIN_OUTPUT output
StructureEditorProcessor._commands command
net.idea.restnet.db.QueryURIReporter<T,Q extends net.idea.modbcum.i.IQueryRetrieval<T>> uriReporter
AbstractStaxRDFWriter<INPUT,OUTPUT> recordWriter
String compoundInDatasetPrefix
RDFObjectIterator<Item> rdfObjectIterator
String baseReference
String objectToParse
org.restlet.data.MediaType mediaType
WrappedService<C extends org.apache.http.auth.Credentials> query
org.restlet.data.MediaType media
org.restlet.data.MediaType entityType
ByteArrayOutputStream entity
org.restlet.data.Method method
String fileNamePrefix
String fileExtension
XMLStreamWriter output
net.idea.restnet.db.QueryURIReporter<T,Q extends net.idea.modbcum.i.IQueryRetrieval<T>> uriReporter
String datasetIndividual
List<E> header
PropertyURIReporter propertyReporter
CompoundURIReporter<Q extends net.idea.modbcum.i.IQueryRetrieval<IStructureRecord>> compoundReporter
Comparator<T> comp
Profile<P extends Property> groupProperties
String licenseURI
Template template
DatasetRDFWriter recordWriter
String referer
String referer
String details
org.restlet.representation.Variant variant
OTDataset.dataset_size isEmpty
String license
String source
String seeAlso
OTAlgorithm algorithm
boolean isNumeric
boolean isNominal
String units
String endpointName
boolean supportsPredictedVarURI
String endpointURI
OTFeatures independentVariables
String creator
OTDataset trainingData
OTAlgorithm algorithm
OTFeatures dependentVariables
OTFeatures predictedVariables
boolean selected
boolean forbidden
String name
org.restlet.data.Form form
long pollInterval
long pollTimeout
String referer
org.restlet.data.Reference url
org.restlet.data.Status status
org.restlet.data.Reference result
Exception error
String predictedFeatureURI
String predictedFeatureURI
ModelURIReporter<Q extends net.idea.modbcum.i.IQueryRetrieval<ModelQueryResults>> model_reporter
AlgorithmURIReporter alg_reporter
org.restlet.data.Reference applicationRootReference
String referer
boolean modelHidden
String[] parameters
UpdateStructure updateStructure
UpdateExecutor<Q extends net.idea.modbcum.i.query.IQueryUpdate> exec
String mopac_commands
net.idea.modbcum.p.AbstractDBProcessor<Target,Result> calculator
Object value
Object model
FingerprintGenerator<FGenerator extends org.openscience.cdk.fingerprint.IFingerprinter> fpgen
MoleculeReader reader
List<E> bitsets
ModelQueryResults model
Dimension imageSize
boolean structureRequired
boolean valuesRequired
Object predictor
int classIndex
weka.core.Instances header
weka.filters.Filter filter
String[] targetURI
ModelURIReporter<Q extends net.idea.modbcum.i.IQueryRetrieval<ModelQueryResults>> modelReporter
PropertyURIReporter propertyReporter
org.restlet.data.Reference applicationRootReference
org.restlet.routing.Template compoundURITemplate
org.restlet.routing.Template conformerURITemplate
IStructureRecord record
PropertyURIReporter propertyReporter
org.restlet.data.MediaType mediaType
com.hp.hpl.jena.ontology.OntModel jenaModel
org.restlet.Request request
org.restlet.data.Reference baseReference
net.idea.restnet.i.task.ITaskStorage<USERID> storage
org.restlet.data.Reference baseRef
TaskURIReporter<USERID> urireporter
net.idea.restnet.i.task.ITaskStorage<USERID> storage
boolean readStructure
String prefix
String base
PropertyURIReporter propertyReporter
CompoundURIReporter<Q extends net.idea.modbcum.i.IQueryRetrieval<IStructureRecord>> compoundReporter
com.fasterxml.jackson.databind.ObjectMapper dx
Object result
String name
long started
long completed
boolean internal
float percentCompleted
Object userid
UUID uuid
org.restlet.resource.ResourceException error
Exception policyError
net.idea.restnet.i.task.TaskStatus status
String comma
org.restlet.data.Reference ontology_service
org.restlet.data.Reference application
OTDatasets datasets1
OTDatasets datasets2
org.restlet.data.Reference datasetReportRef
weka.clusterers.FilteredClusterer fclusterer
weka.classifiers.meta.FilteredClassifier fclassifier
weka.attributeSelection.PrincipalComponents pca
weka.classifiers.Classifier classifier
weka.clusterers.Clusterer clusterer
weka.attributeSelection.PrincipalComponents pca
weka.clusterers.Clusterer clusterer
weka.classifiers.Classifier classifier
weka.attributeSelection.PrincipalComponents pca
weka.classifiers.Classifier classifier
weka.clusterers.Clusterer clusterer
weka.attributeSelection.PrincipalComponents pca
int width
int height
NCISearchProcessor.METHODS representation
String opentoxservice
IDistanceFunction<T> distanceFunction
boolean lowestDistanceIsClosest
ArrayList<E> observed
ArrayList<E> predicted
Histogram<T extends Comparable> histogram
SelfBin<T extends Comparable> vp
boolean forceAromaticBondsAlways
boolean forceAromaticBondsForNonRingAtoms
boolean mFlagConfirmAromaticBond
int mSubAtomType
int mSubAromaticity
int mCurSubArom
int mRecCurSubArom
int mSubAtomCharge
int mCurSubAtCharge
int mSubBondType
int mSubBoAromaticity
int mCurSubBoArom
org.openscience.cdk.interfaces.IChemObjectBuilder builder
CMLUtilities utils
AtomConfigurator config
CMLUtilities util
boolean loadExamples
boolean transformationasproperties
List<E> transformations
SMIRKSManager smrkMan
IsomorphismTester isoTester
AtomConfigurator cfg
CDKHueckelAromaticityDetector aromaticDetector
boolean cleanKekuleBonds
IsomorphismTester isoTester
SmartsParser sp
org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer query
SMARTSPropertiesReader reader
boolean useCDKIsomorphism
private void readObject(ObjectInputStream in) throws IOException, ClassNotFoundException
IOException
ClassNotFoundException
boolean dropHydrogens
Map<K,V> tags
boolean generateInChI
boolean generateSMILES_Canonical
boolean generateSMILES_Aromatic
boolean splitFragments
boolean generateTautomers
boolean generateSMILES
boolean neutralise
boolean generate2D
boolean implicitHydrogens
boolean generateStereofrom2D
boolean clearIsotopes
List<E> options
TautomerManager tautomerManager
net.idea.modbcum.i.processors.IProcessor<Target,Result> callback
IBrowserMode.BrowserMode mode
Color oddColor
JRadioButton[] boxes
JFormattedTextField field
String delimiter
TitledBorder border
int HEADER_ROW
TableCellEditor headerEditor
boolean isHeaderEditable
JTable table
int column
Object selectedObject
IHeaderAction[] actions
List<E> values
ICompoundImageTools imageTools
ImageIcon icon
NumberFormat nf
CompoundImageTools tools
org.openscience.cdk.interfaces.IAtomContainer atomContainer
IAtomContainerHighlights selector
Image image
boolean generate2d
boolean editable
IMoleculeEditAction editAction
Panel2D._atomrendermode atomrendermode
JTable browser_table
IHeaderAction[] headerActions
Hashtable<K,V> imageRenderers
BrowserModeCellRenderer cellRenderer
boolean editable
JDialog dialog
WizardPanel.ANSWER_MODE answer
String dlu
JComponent component
IAmbitEditor<T> editor
String noDataText
JLabel nodatalabel
com.jgoodies.binding.PresentationModel<B> detailsModel
boolean editable
FileState filestate
JTextField filename
JButton browse
List<E> buttons
TypedListModel<P> fields
TypedListModel<P>[] fieldsModel
JList<E>[] tables
String help
Dimension currentSize
org.jmol.api.JmolViewer viewer
org.jmol.popup.JmolPopup jmolpopup
org.jmol.api.JmolAdapter adapter
org.openscience.cdk.interfaces.IAtomContainerSet moleculeSet
org.openscience.cdk.interfaces.IChemModel model
org.openscience.cdk.interfaces.IChemSequence sequence
org.openscience.cdk.interfaces.IChemFile chemFile
ImageTools3D painter3D
PropertyChangeSupport ps
TableModel dataModel
int pageSize
int page
int record
int idColumn
double[] zoomFactor
ImageIcon selectedIcon
ImageIcon currentIcon
ImageIcon selectedAndCurrentIcon
IBrowserMode.BrowserMode browserMode
JToggleButton[] button
JButton zoomIn
JButton zoomOut
JLabel label
JButton prevPage
JButton nextPage
JTextField findValue
JLabel label
JButton prevPage
JButton nextPage
JTextField currentPage
JTextField allPages
JTextField pageSize
JLabel label
JButton prevPage
JButton nextPage
JTextField currentPage
JTextField allPages
List<E> records
Hashtable<K,V> selected
TypedListModel<P> fields
Hashtable<K,V> properties
PropertyChangeListener propertyListener
int offset
MoleculeReader transform
MoleculeReader reader
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