OEDBTracer¶
class OEDBTracer : public OEDBTracerBase
A thread-safe implementation of OEDBTracerBase meant for tracking the progress of a OEShapeDatabase query.
The following methods are publicly inherited from OEDBTracerBase:
Constructors¶
OEDBTracer(size_t numBins=0)
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.
GetCounts¶
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.
GetHistogram¶
OEFastROCSHistogram GetHistogram()
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.
GetNumBins¶
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.
GetTotal¶
OEULongLong GetTotal()
Return the total number of conformers to be processed.
Warning
It is possible for this function to return 0 for a short
time after a call to
OEShapeDatabase.GetScores or
OEShapeDatabase.GetSortedScores. So a
0 return value should be taken with a grain of salt of
that possible race-condition.
SetTotal¶
void SetTotal(OEULongLong total)
Called by OEShapeDatabase.GetScores and
OEShapeDatabase.GetSortedScores to set
whatever the total number of conformers that will be processed.
Update¶
void Update(OEULongLong step=1,
const OEFastROCSHistogram *hist=NULL)
Called by OEShapeDatabase.GetScores and
OEShapeDatabase.GetSortedScores from
multiple threads to communicate the current progress of the search.