class OEDBTracer : public OEDBTracerBase
The following methods are publicly inherited from
Construct a new thread-safe
OEDBTracer object and initialize
the internal synchronization primitives that are required.
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.Color have a range
of 0.0-1.0, while
OEShapeDatabaseType.Combo has a range
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
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.
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
object. This histogram will be empty if
numBins passed to
the constructor is
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
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
OEShapeDatabase.GetSortedScores to skip
histogram creation all together.
Return the total number of conformers to be processed.
void SetTotal(OEULongLong total)