Package | Description |
---|---|
ambit2.base.data |
Base data structures; no chemistry.
|
ambit2.base.data.study |
Detailed description of experimental data, linked to substances
|
ambit2.base.relation.composition |
Classes to describe chemical composition |
ambit2.core.io.json | |
ambit2.db.substance | |
ambit2.db.substance.ids | |
ambit2.db.substance.properties | |
ambit2.db.substance.relation | |
ambit2.sln.io |
Modifier and Type | Field and Description |
---|---|
protected List<CompositionRelation> |
SubstanceRecord.relatedStructures |
Modifier and Type | Method and Description |
---|---|
List<CompositionRelation> |
SubstanceRecord.getRelatedStructures()
|
Modifier and Type | Method and Description |
---|---|
void |
SubstanceRecord.addStructureRelation(CompositionRelation relation) |
Modifier and Type | Method and Description |
---|---|
void |
SubstanceRecord.setRelatedStructures(List<CompositionRelation> relatedStructures) |
Modifier and Type | Method and Description |
---|---|
IStructureRecord |
StructureRecordValidator.validate(SubstanceRecord record,
CompositionRelation rel) |
Modifier and Type | Class and Description |
---|---|
class |
Additive
Substance composition: additives
|
class |
Constituent |
class |
Impurity
Substance composition: impurities
|
Modifier and Type | Method and Description |
---|---|
List<CompositionRelation> |
SubstanceStudyParser.parseComposition(com.fasterxml.jackson.databind.JsonNode node)
TODO
|
Constructor and Description |
---|
ReadSubstance(CompositionRelation composition) |
Modifier and Type | Method and Description |
---|---|
protected boolean |
ReadChemIdentifiersByComposition.isAllowed(CompositionRelation r) |
Modifier and Type | Method and Description |
---|---|
protected boolean |
ReadChemPropertiesByComposition.isAllowed(CompositionRelation r) |
Modifier and Type | Field and Description |
---|---|
protected CompositionRelation |
ReadSubstanceComposition.record |
Modifier and Type | Method and Description |
---|---|
CompositionRelation |
ReadSubstanceComposition.getObject(ResultSet rs) |
static CompositionRelation |
ReadSubstanceComposition.readCompositionRelation(CompositionRelation record,
ResultSet rs,
SubstanceEndpointsBundle bundle) |
Modifier and Type | Method and Description |
---|---|
double |
ReadSubstanceComposition.calculateMetric(CompositionRelation object) |
static CompositionRelation |
ReadSubstanceComposition.readCompositionRelation(CompositionRelation record,
ResultSet rs,
SubstanceEndpointsBundle bundle) |
void |
UpdateSubstanceRelation.setCompositionRelation(CompositionRelation relation) |
void |
ReadSubstanceComposition.setRecord(CompositionRelation record) |
Constructor and Description |
---|
UpdateSubstanceRelation(CompositionRelation relation) |
Modifier and Type | Method and Description |
---|---|
CompositionRelation |
SLN2Substance.slnContainerToCompositionRelation(SLNContainer slnContainer) |
Modifier and Type | Method and Description |
---|---|
List<CompositionRelation> |
SLN2Substance.slnToSubstanceComposition(SLNSubstance slnSubst) |
Modifier and Type | Method and Description |
---|---|
SLNContainer |
SLN2Substance.compositionRelationToSLNContainer(CompositionRelation compRel) |
Modifier and Type | Method and Description |
---|---|
SLNSubstance |
SLN2Substance.substanceCompositionToSln(List<CompositionRelation> composition) |
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