Added better checks for empty strings.
Updated token.
Added try-catch for Database connections.
Added fragmentation information to result set.
Added methods to fetch unique only candidates both online and locally.
FIX: Added clone() of peaklist to prevent removal of original peaks!
Added property to store the uniqueInchi setting for retrieval of
unique candidates both online and locally.
Added method to retrieve unique hits only from local database.
Added several retrieval methods with option to only select unique
candidates via InChi-filterin
Updated CDK version from 1.3.6 to 1.4.7.
Updated signature of startConvenienceMetFusion to add parameter for
filtering candidates according to unique InChIs.
Caught Null InChI exception.
Added function parameters to select CHNOPS compounds only and to
decide whether to fragment in memory of offline.
Updated MetFrag local query call.
Added switch for CHNOPS only compounds in FragmenterThread.
Updated CDK library from 1.4.7 to 1.4.13. Updated classpath and
settings.
Added InChI generator check for error code in order to skip
setting of null InChI.
Added ChemSpider token to MetFrag calls, thus relying on externally
provided token.
Updated MetFrag call with token.
Updated function definitions with ChemSpider token parameter. Updated
Candidate lookup functions with improved ChemSpider search function
and InChIKey based filter for better runtime performance.