OEDBTracerBase¶
class OEDBTracerBase
Abstract base class used by OEShapeDatabase
to track the progress of an individual search against the
database. Users should derive from this class and pass the derived
class into OEShapeDatabaseOptions::SetTracer
for the options object later passed into
OEShapeDatabase::GetScores or
OEShapeDatabase::GetSortedScores.
Warning
OEShapeDatabase::GetScores and
OEShapeDatabase::GetSortedScores are
multi-threaded functions, so the Update method implemented
by a derived class should be thread-safe.
The following classes derive from this class and should be used in preference of creating a custom tracer:
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.
SetTotal¶
void SetTotal(OEULongLong total)=0
Called once by OEShapeDatabase::GetScores
or OEShapeDatabase::GetSortedScores in a
single thread to indicate the total number of conformers that
will be searched.
Update¶
void Update(OEULongLong step=1,
const OEFastROCSHistogram *hist=NULL)=0
Called many times by
OEShapeDatabase::GetScores or
OEShapeDatabase::GetSortedScores from
many operating system threads so this function should be
thread-safe. The OEShapeDatabase object
will pass in a large step size to optimize the number of
times this function is called, typically only hundreds of times
will this method be called for a database containing millions of
conformers. The step corresponds to the number of conformers
already searched. Even so, this function should be implemented
with very efficiently as it is called by the
OEShapeDatabase search threads, so forward
progress can not be made if this function is costly.
The optional hist argument is a
OEFastROCSHistogram to accumulate into a
master histogram for the entire query. Typically,
OEShapeDatabase::GetScores and
OEShapeDatabase::GetSortedScores will
submit will call this method once for very large chunks of the
database. This makes the synchronization point of calling this
function very minimal to the overall runtime of the query. If a
NULL pointer is passed, the default, no histogram
accumulation will occur.
Warning
The implementer of a sub-class of OEDBTracerBase should guarantee the thread-safety of this method.