call() | denoptim.fragmenter.ConformerExtractorTask | |
collectClusterableFragmentsFromFile() | denoptim.fragmenter.ConformerExtractorTask | private |
completed | denoptim.task.Task | protected |
ConformerExtractorTask(List< Vertex > isomorphicFamily, FragmenterParameters settings) | denoptim.fragmenter.ConformerExtractorTask | |
ConformerExtractorTask(Vertex oldChampions, FragmenterParameters settings) | denoptim.fragmenter.ConformerExtractorTask | |
errMsg | denoptim.task.Task | protected |
extractClusterableFragments(Iterator< IAtomContainer > reader, String isomorphicFamilyId, Logger logger) | denoptim.fragmenter.ConformerExtractorTask | static |
foundException() | denoptim.task.Task | |
getChosenFragPathname(FragmenterParameters settings, String isomorphicFamilyId) | denoptim.fragmenter.ConformerExtractorTask | packagestatic |
getClusterCentroidsPathname(FragmenterParameters settings, String isomorphicFamilyId) | denoptim.fragmenter.ConformerExtractorTask | packagestatic |
getClusterPathname(FragmenterParameters settings, String isomorphicFamilyId, int i) | denoptim.fragmenter.ConformerExtractorTask | packagestatic |
getErrorMessage() | denoptim.task.Task | |
getException() | denoptim.task.Task | |
getId() | denoptim.task.Task | |
getLogFilePathname() | denoptim.fragmenter.ConformerExtractorTask | |
getResultFile() | denoptim.fragmenter.ConformerExtractorTask | |
hasException | denoptim.task.Task | protected |
id | denoptim.task.Task | protected |
isCompleted() | denoptim.task.Task | |
isoFamMembersFile | denoptim.fragmenter.ConformerExtractorTask | private |
isomorphicFamilyId | denoptim.fragmenter.ConformerExtractorTask | private |
lock | denoptim.task.Task | |
logFilePathname | denoptim.fragmenter.ConformerExtractorTask | private |
logger | denoptim.fragmenter.ConformerExtractorTask | private |
NL | denoptim.task.Task | protected |
notifyGlobalTaskManager | denoptim.task.Task | protected |
populateListOfClusterizableFragments(List< ClusterableFragment > sample, Fragment frag, Logger logger, String fragId) | denoptim.fragmenter.ConformerExtractorTask | static |
processHandler | denoptim.task.Task | protected |
results | denoptim.fragmenter.ConformerExtractorTask | protected |
sample | denoptim.fragmenter.ConformerExtractorTask | private |
SEP | denoptim.task.Task | protected |
setNotify(boolean notify) | denoptim.task.Task | |
settings | denoptim.fragmenter.ConformerExtractorTask | protected |
setVerbosity(int verbosity) | denoptim.task.Task | |
setWorkSpace(File workDir) | denoptim.task.Task | |
stopTask() | denoptim.task.Task | |
Task(final int id) | denoptim.task.Task | |
thrownExc | denoptim.task.Task | protected |
toString() | denoptim.task.Task | |
verbosity | denoptim.task.Task | protected |
workDir | denoptim.task.Task | protected |