OEDBScreenOptions¶
Attention
This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.
class OEDBScreenOptions : public OESystem::OEOptions
This class provides an interface to setup options related to screening two-dimensional Brood databases in OEDBBuilder.
- The OEDBScreenOptions class defines the following public methods:
Constructors¶
OEDBScreenOptions()
OEDBScreenOptions(const OEDBScreenOptions&)
Default and copy constructors.
SetMinFreqHeavy¶
bool SetMinFreqHeavy(const unsigned)
Sets the fragment size defined by the number of heavy atoms affecting minimum frequency. The minimum frequency is only applicable to fragments larger this size defined here. Default: 1.
SetMinFrequency¶
bool SetMinFrequency(const unsigned)
Sets the Minimum frequency required for a fragment to be kept. The Minimum frequency
is only applicable to fragments larger than size defined in
SetMinFreqHeavy
.
The frequency
is the number of parent molecule a specific fragment belongs to,
in a database. A value of zero indicates that all fragments should be kept.
Default: 0.