E:\Users\thiessen\Downloads\aspirin.sdf
org.embl.ebi.escience.scuflworkers.java.XMLInputSplitter
eFormat_SDF
Import structure(s) from
PubChem ASN format (ASNB, ASNT, XML) and get 'structure key' back. Asynchronous.
http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap.cgi?wsdl
InputStructureBase64
org.embl.ebi.escience.scuflworkers.java.XMLOutputSplitter
Similarity search by query
specified in the first parameter (structure key). Searchable subset can be limited by
specifying list_key. Asynchronous.
http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap.cgi?wsdl
SimilaritySearch2D
org.embl.ebi.escience.scuflworkers.java.XMLInputSplitter
org.embl.ebi.escience.scuflworkers.java.XMLOutputSplitter
Retrieve Entrez accessor by
ListKey. Synchronous. It IS synchronous because of we suppose to have Entrez as search
result, so don't need time to compose it.
http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap.cgi?wsdl
GetEntrezKey
org.embl.ebi.escience.scuflworkers.java.XMLInputSplitter
File f = new File(filename);
if (!f.exists() || !f.canRead() || f.length() == 0)
throw new Exception("File unreadable or zero length");
if (f.length() > 1000000)
throw new Exception("File too big to convert to base64");
byte[] bytesArray = new byte[f.length()];
FileInputStream filein = new FileInputStream(filename);
int total = 0;
byte[] buffer = new byte[1000];
int i;
int n = filein.read(buffer);
while (n >= 0) {
for (i=0; i<n; ++i)
bytesArray[total + i] = buffer[i];
total += n;
n = filein.read(buffer);
}
if (total != f.length())
throw new Exception("File size does not match amount of data read");
bytes = bytesArray;
filename
bytes
org.embl.ebi.escience.scuflworkers.java.EncodeBase64
org.embl.ebi.escience.scuflworkers.java.XMLInputSplitter
95
org.embl.ebi.escience.scuflworkers.java.XMLInputSplitter
Retrieve Entrez URL. Service
operation. Synchronous.
http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap.cgi?wsdl
GetEntrezUrl
org.embl.ebi.escience.scuflworkers.java.XMLOutputSplitter
org.embl.ebi.escience.scuflworkers.java.XMLOutputSplitter
org.embl.ebi.escience.scuflworkers.java.XMLInputSplitter
org.embl.ebi.escience.scuflworkers.java.XMLOutputSplitter
org.embl.ebi.escience.scuflworkers.java.FailIfFalse
org.embl.ebi.escience.scuflworkers.java.XMLInputSplitter
org.embl.ebi.escience.scuflworkers.java.XMLOutputSplitter
if (!(status.equals("eStatus_Success") ||
status.equals("eStatus_Running") ||
status.equals("eStatus_Queued") ||
status.equals("eStatus_HitLimit") ||
status.equals("eStatus_TimeLimit")))
{
throw new Exception("Request error - job has failed");
}
success = (status.equals("eStatus_Success") || status.equals("eStatus_HitLimit") || status.equals("eStatus_TimeLimit")).toString();
status
success
Query for asynchronous
operation status by AnyKey returned when operation was spawned.
http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap.cgi?wsdl
GetOperationStatus