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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