Modifier and Type | Class and Description |
---|---|
class |
ReadStructureRelation |
Modifier and Type | Field and Description |
---|---|
protected AbstractStructureQuery |
PropertyImporter.query_property |
Modifier and Type | Method and Description |
---|---|
protected AbstractStructureQuery |
RepositoryWriter.getQuery(IStructureRecord record) |
Modifier and Type | Field and Description |
---|---|
protected AbstractStructureQuery |
StoredQueryTableModel.storedResults |
Modifier and Type | Method and Description |
---|---|
AbstractStructureQuery |
StoredQueryTableModel.getQuery() |
Modifier and Type | Method and Description |
---|---|
void |
StoredQueryTableModel.setQuery(AbstractStructureQuery query) |
Modifier and Type | Class and Description |
---|---|
class |
ChemicalByQueryFolder
Retrieves chemicals from set of datasets, defined in the query table
restricted by sessions.title
|
class |
FingerprintsByStatus |
class |
FreeTextQuery
select idchemical,metric from
(
(select idchemical,2 as metric from properties join property_values using(idproperty)
join property_string using(idvalue_string) join structure using(idstructure)
where name like "MA%" and value like "Reaction%"
)
union
(select idchemical,2 as metric from properties join property_values using(idproperty)
join property_string using(idvalue_string) join structure using(idstructure)
where value like "MA%" and name like "Reaction%"
)
union
(select idchemical,1 as metric from properties
join property_values using(idproperty) join structure using(idstructure) where name like "MA%")
union
(select idchemical,1 as metric from property_values
join property_string using(idvalue_string) join structure using(idstructure) where value like "MA%")
union
(select idchemical,1 as metric from properties
join property_values using(idproperty) join structure using(idstructure) where name like "Reaction%")
union
(select idchemical,1 as metric from property_values
join property_string using(idvalue_string) join structure using(idstructure) where value like "Reaction%")
) a
|
class |
MissingFingerprintsQuery |
class |
MissingInChIsQuery |
class |
NumberQuery<F> |
class |
QueryAtomEnvironment
Similarity via atom environment matrix
/query/similarity?search=c1ccccc1O&threshold=0.5&mode=ae
|
class |
QueryByIdentifierWithStructureFallback
Calls findByProperty stored procedure
|
class |
QueryDataset
src_dataset.name = ?
|
class |
QueryDatasetByID |
class |
QueryDistance
Distance between two atoms, provided as symbols.
|
class |
QueryExactStructure
Deprecated.
Convert to InChI and use
QueryStructure |
class |
QueryField
Search for a structure with property with given name and value
|
class |
QueryFieldAbstract<T,C extends net.idea.modbcum.i.IQueryCondition,NC extends net.idea.modbcum.i.IQueryCondition> |
class |
QueryFieldMultiple |
class |
QueryFieldNumeric |
class |
QueryFunctionalGroups |
class |
QueryLookupStructure
This is a wrapper around
QueryStructure , allowing to use IStructureRecord as a parameter |
class |
QueryMissingDescriptor
reads structures, for each there are / or there are not (depending on getCondition) descriptors with given idname and reference title.
|
class |
QueryMissingDistances
Reads structures without precalculated pairwise atom distances from the database.
|
class |
QueryMissingProperty |
class |
QueryPrescreenBitSet
First bitset is from structural keys, second from fingerprints
|
class |
QuerySimilarity<F,T,C extends net.idea.modbcum.i.IQueryCondition> |
class |
QuerySimilarityBitset
Tanimoto similarity of
BitSet . |
class |
QuerySimilarityStructure |
class |
QuerySMARTS
Select structures by querying fungroups table by smarts
|
class |
QueryStoredResults |
class |
QueryStoredResultsByName
Retrieve structure collections from query table by name and folder (sessions table)
|
class |
QueryStructure
Search for smiles, inchi, formula
|
class |
QueryStructureByID
Selects a structure by idstructure
|
class |
QueryStructureByQuality |
class |
QueryStructureByQualityPairLabel |
class |
QueryStructureByValueQuality |
class |
QueryStructureType |
class |
QueryStrucType |
Modifier and Type | Field and Description |
---|---|
protected AbstractStructureQuery |
QuerySimilarityStructure.query |
Modifier and Type | Class and Description |
---|---|
class |
QueryStructureByProperty<Q extends AbstractStructureQuery> |
Modifier and Type | Class and Description |
---|---|
class |
QueryStructureByProperty<Q extends AbstractStructureQuery> |
class |
QueryStructureByPropertyInCompounds |
class |
QueryStructureByPropertyInDataset |
class |
QueryStructuresByPropertyInResults |
Modifier and Type | Class and Description |
---|---|
class |
QueryQMapStructures |
Modifier and Type | Class and Description |
---|---|
class |
ChemicalBySubstanceRelation
Returns all chemicals which are component of a substance.
|
class |
ReadSubstanceRelation
Reads all structures, related to the query substance via substance_relation table
|
Modifier and Type | Class and Description |
---|---|
class |
ReadChemicalsByBundle |
Modifier and Type | Class and Description |
---|---|
class |
DatasetQueryFieldGeneric<T,C extends net.idea.modbcum.i.IQueryCondition> |
class |
DatasetQueryFieldNumeric |
class |
DatasetQueryFieldString |
Modifier and Type | Class and Description |
---|---|
class |
ReadStructuresByFingerprint |
Modifier and Type | Class and Description |
---|---|
class |
ChemicalByDataset
idchemical by dataset
|
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