| Package | Description |
|---|---|
| ambit2.base.data |
Base data structures; no chemistry.
|
| ambit2.base.relation |
Classes to describe relations between chemical structures |
| ambit2.base.relation.composition |
Classes to describe chemical composition |
| Modifier and Type | Method and Description |
|---|---|
IStructureRelation |
SubstanceRecord.addStructureRelation(String compositionUUID,
IStructureRecord record,
STRUCTURE_RELATION relation,
Proportion value) |
| Modifier and Type | Class and Description |
|---|---|
class |
AbstractRelation<RELATION_TYPE,RELATION_METRIC extends Serializable,FIRSTSTRUC extends IStructureRecord,SECONDSTRUC extends IStructureRecord>
Abstract class to represent relationship between compounds
|
class |
SimilarityRelation |
class |
StructureRelation |
class |
TautomerRelation |
| Modifier and Type | Class and Description |
|---|---|
class |
Additive
Substance composition: additives
|
class |
CompositionRelation
Substance composition
|
class |
Constituent |
class |
Impurity
Substance composition: impurities
|
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