| Package | Description |
|---|---|
| org.helm.notation2 | |
| org.helm.notation2.tools | |
| org.helm.notation2.wsadapter |
| Modifier and Type | Method and Description |
|---|---|
static Attachment |
DeepCopy.copy(Attachment attachment) |
Attachment |
Monomer.getAttachment(String label)
get a specific attachment by passing in a label
|
| Modifier and Type | Method and Description |
|---|---|
Map<String,Attachment> |
MonomerFactory.getAttachmentDB() |
Map<String,Attachment> |
MonomerCache.getAttachmentDB() |
List<Attachment> |
Monomer.getAttachmentList() |
static Map<String,Attachment> |
AttachmentLoader.loadAttachments(InputStream in)
reads the attachments from the given inputstream and returns the
attachment db
|
| Modifier and Type | Method and Description |
|---|---|
boolean |
Monomer.addAttachment(Attachment attachment)
Try to add a new attachment to this monomer
|
static Attachment |
DeepCopy.copy(Attachment attachment) |
static boolean |
AttachmentLoader.validateAttachment(Attachment currentAttachment)
validates the current attachment
|
| Modifier and Type | Method and Description |
|---|---|
void |
MonomerCache.setAttachmentDB(Map<String,Attachment> attachmentDB) |
void |
Monomer.setAttachmentList(List<Attachment> attachmentList) |
| Modifier and Type | Method and Description |
|---|---|
static Attachment |
MonomerParser.getAttachment(org.jdom2.Element attachment)
Convert ATTACHMENT element to Attachment object
|
| Modifier and Type | Method and Description |
|---|---|
static void |
MonomerParser.fillAttachmentInfo(Attachment att) |
static org.jdom2.Element |
MonomerParser.getAttachementElement(Attachment att)
This method converts Attachment to ATTACHMENT XML element
|
static boolean |
MonomerParser.validateAttachement(Attachment attachment)
This method validates Attachment by the following rules
Attachment must have unique ID
cap group SMILES must be valid
cap group SMILES must contain one R group
R group in SMILES must match R group label
|
| Modifier and Type | Method and Description |
|---|---|
String |
WebService.convertMolFileSMILESWithAtomMapping(String molfile,
List<Attachment> attachments)
method to generate a smiles with atom mapping for a given molfile with the given attachments
|
static String |
SMILES.convertMolToSMILESWithAtomMapping(String molfile,
List<Attachment> attachments)
Converts molfile with the given attachments in smiles with atom mapping
|
| Modifier and Type | Method and Description |
|---|---|
Map<String,Monomer> |
MonomerWSLoader.loadMonomerStore(Map<String,Attachment> attachmentDB)
Loads the monomer store using the URL configured in
MonomerStoreConfiguration and the polymerType that was given to
constructor. |
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