OECreateMMPIndexOptions¶

class OECreateMMPIndexOptions


This class represents the OECreateMMPIndexOptions class that encapsulates properties to control a matched pair indexing analysis.

Constructors¶

OECreateMMPIndexOptions()
OECreateMMPIndexOptions(const OEMatchedPairAnalyzerOptions &mmpopts)


Constructors that initialize an OECreateMMPIndexOptions object. The default constructor provides the following properties:

Default parameters of OEMatchedPairAnalyzerOptions
Property Default value
processor type OEMatchedPairProcessor.Default
options OEMatchedPairOptions.Default
bond fragmentation limit 20
heavy atom filter 100
indexable fragment filter based on
min,max heavy atom percentage of the
input structure
85-100%

GetMaxRecord¶

unsigned int GetMaxRecord() const


Return the maximum number of records to index from the input structure file or 0 to indicate all structures should be indexed.

GetMMPOptions¶

const OEMatchedPairAnalyzerOptions& GetMMPOptions() const


Returns the options controlling the Matched Pair indexing information.

unsigned int GetNumThreads() const


Returns the number of threads to use during the indexing phase. If the number of threads specified is 0, OEGetNumProcessors will be used to interrogate the maximum threads allowed.

GetVerbose¶

unsigned int GetVerbose() const


Return the level of output verbosity during the indexing activity.

SetMaxRecord¶

void SetMaxRecord(unsigned int maxrec)


Sets the maximum number of records to index from the input structure file. 0 indicates all structures should be indexed.

void SetNumThreads(unsigned int nthreads) const


Sets the maximum number of threads to use during the indexing phase. If nthreads is set to 0, OEGetNumProcessors will be used to interrogate the maximum threads allowed.

SetTracer¶

void SetTracer(const OESystem::OEDots &dots)


Sets a tracer that can be used to show the progress of indexing.

void SetVerbose(unsigned int verbose)