Modifier and Type | Class and Description |
---|---|
class |
ChemSequence
A sequence of ChemModels, which can, for example, be used to
store the course of a reaction.
|
Modifier and Type | Field and Description |
---|---|
protected IChemSequence[] |
ChemFile.chemSequences
Array of ChemSquences.
|
Modifier and Type | Method and Description |
---|---|
IChemSequence |
ChemFile.getChemSequence(int number)
Returns the ChemSequence at position
number in the container. |
Modifier and Type | Method and Description |
---|---|
Iterable<IChemSequence> |
ChemFile.chemSequences()
Returns the Iterable to ChemSequences of this container.
|
Modifier and Type | Method and Description |
---|---|
void |
ChemFile.addChemSequence(IChemSequence chemSequence)
Adds a ChemSequence to this container.
|
Modifier and Type | Class and Description |
---|---|
class |
DebugChemSequence
Debugging data class.
|
Modifier and Type | Method and Description |
---|---|
IChemSequence |
DebugChemFile.getChemSequence(int number)
Returns the ChemSequence at position
number in the container. |
Modifier and Type | Method and Description |
---|---|
Iterable<IChemSequence> |
DebugChemFile.chemSequences()
Returns the Iterable to ChemSequences of this container.
|
Modifier and Type | Method and Description |
---|---|
void |
DebugChemFile.addChemSequence(IChemSequence chemSequence)
Adds a ChemSequence to this container.
|
Modifier and Type | Method and Description |
---|---|
IChemSequence |
IChemFile.getChemSequence(int number)
Returns the ChemSequence at position
number in the container. |
Modifier and Type | Method and Description |
---|---|
Iterable<IChemSequence> |
IChemFile.chemSequences()
Returns the
Iterable to ChemSequences of this container. |
Modifier and Type | Method and Description |
---|---|
void |
IChemFile.addChemSequence(IChemSequence chemSequence)
Adds an
IChemSequence to this container. |
Modifier and Type | Field and Description |
---|---|
protected IChemSequence |
CMLCoreModule.currentChemSequence |
Modifier and Type | Method and Description |
---|---|
org.xmlcml.cml.element.CMLList |
Convertor.cdkChemSequenceToCMLList(IChemSequence sequence) |
Modifier and Type | Field and Description |
---|---|
protected IChemSequence[] |
ChemFile.chemSequences
Array of ChemSquences.
|
Modifier and Type | Method and Description |
---|---|
IChemSequence |
ChemFile.getChemSequence(int number)
Returns the ChemSequence at position
number in the container. |
Modifier and Type | Method and Description |
---|---|
Iterable<IChemSequence> |
ChemFile.chemSequences()
Returns the Iterable to ChemSequences of this container.
|
Modifier and Type | Method and Description |
---|---|
void |
ChemFile.addChemSequence(IChemSequence chemSequence)
Adds a ChemSequence to this container.
|
Modifier and Type | Method and Description |
---|---|
static List<IAtomContainer> |
ChemSequenceManipulator.getAllAtomContainers(IChemSequence sequence)
Returns all the AtomContainer's of a ChemSequence.
|
static List<IChemObject> |
ChemSequenceManipulator.getAllChemObjects(IChemSequence sequence)
Returns a List of all IChemObject inside a ChemSequence.
|
static List<String> |
ChemSequenceManipulator.getAllIDs(IChemSequence sequence) |
static int |
ChemSequenceManipulator.getAtomCount(IChemSequence sequence)
Get the total number of atoms inside an IChemSequence.
|
static int |
ChemSequenceManipulator.getBondCount(IChemSequence sequence)
Get the total number of bonds inside an IChemSequence.
|
Modifier and Type | Method and Description |
---|---|
ValidationReport |
ValidatorEngine.validateChemSequence(IChemSequence subject) |
ValidationReport |
IValidator.validateChemSequence(IChemSequence subject) |
ValidationReport |
CDKValidator.validateChemSequence(IChemSequence subject) |
ValidationReport |
AbstractValidator.validateChemSequence(IChemSequence subject) |
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