| Package | Description |
|---|---|
| ambit2.base.data |
Base data structures; no chemistry.
|
| ambit2.core.io |
Input output support.
|
| ambit2.core.io.pdb | |
| ambit2.db | |
| ambit2.db.readers | |
| ambit2.db.results | |
| ambit2.reactions.reactor | |
| ambit2.rules.json |
| Modifier and Type | Class and Description |
|---|---|
class |
SubstanceRecord
Same as the parent class, but with related structures
|
| Modifier and Type | Field and Description |
|---|---|
protected StructureRecord |
RawIteratingMOLReader.r |
protected StructureRecord |
RawIteratingSDFReader.r |
| Modifier and Type | Field and Description |
|---|---|
protected StructureRecord |
RawIteratingPDBReader.r |
| Modifier and Type | Method and Description |
|---|---|
StructureRecord |
RepositoryReader.next() |
StructureRecord |
RepositoryReader.process(Target target) |
| Modifier and Type | Method and Description |
|---|---|
BufferedImage |
DbCompoundImageTools.getImage(Connection connection,
StructureRecord id) |
| Modifier and Type | Field and Description |
|---|---|
protected StructureRecord |
StoredQueryTableModel.workingRecord |
| Modifier and Type | Field and Description |
|---|---|
List<StructureRecord> |
ReactorStrategy.allowedProducts |
List<StructureRecord> |
ReactorStrategy.forbiddenProducts |
| Modifier and Type | Method and Description |
|---|---|
static void |
ReactorStrategy.configureStructureRecord(StructureRecord strRecord,
org.openscience.cdk.inchi.InChIGeneratorFactory igf,
List<net.sf.jniinchi.INCHI_OPTION> options) |
| Modifier and Type | Method and Description |
|---|---|
static StructureRecord |
JSONParsingUtils.getStructureRecord(com.fasterxml.jackson.databind.JsonNode node,
JSONParsingUtils.STRUCTURE_RECORD_INPUT_INFO inputInfo) |
| Modifier and Type | Method and Description |
|---|---|
static List<StructureRecord> |
JSONParsingUtils.getStructureRecords(com.fasterxml.jackson.databind.JsonNode node,
String keyword,
JSONParsingUtils.STRUCTURE_RECORD_INPUT_INFO inputInfo,
boolean isRequired) |
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