class OEDBTracer : public OEDBTracerBase
The following methods are publicly inherited from OEDBTracerBase:
Construct a new thread-safe OEDBTracer object and initialize the internal synchronization primitives that are required.
The numBins argument specifies how many bins the internal OEFastROCSHistogram will have. The granularity of each bin is the determined by the range of the score divided by the number of bins. Note, OEShapeDatabaseType.Shape and OEShapeDatabaseType.Color have a range of 0.0-1.0, while OEShapeDatabaseType.Combo has a range of 0.0-2.0.
OEULongLong GetCounts(bool blocking=false)
Returns the current number of conformers already searched by a OEShapeDatabase. This is a thread-safe function for querying the current progress of the database search. OEShapeDatabase will update the progress of this tracer through the OEDBTracer.Update method from multiple threads. This function can be used by another thread to query that total progress.
The optional blocking parameter specifies whether the call should wait until there has been an update to the tracer before returning. This can be useful for making progress updates not spin too rapidly reporting the same number every time.
Return a copy of the histogram currently accumulated in this database query as a OEFastROCSHistogram object. This histogram will be empty if numBins passed to the constructor is 0.
This is a thread-safe function for querying the current distribution of scores for the molecules already processed. The full histogram of the scores is not available until the value returned by OEDBTracer.GetCounts is equal to OEDBTracer.GetTotal.
size_t GetNumBins() const
Return the number of bins to use for the score histogram during this particular query. Returning ‘0’, the default, will indicate to OEShapeDatabase.GetScores or OEShapeDatabase.GetSortedScores to skip histogram creation all together.
Return the total number of conformers to be processed.
void SetTotal(OEULongLong total)