OEMakeSubSearchTargetScreenΒΆ
Attention
This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.
bool OEMakeSubSearchTargetScreen(OESubSearchScreen &screen, OEMolBase &mol,
const OESubSearchScreenTypeBase *stype)
bool OEMakeSubSearchTargetScreen(OESubSearchScreen &screen, OEMolBase &mol,
const unsigned stype=OESubSearchScreenType::Default)
Generates a substructure search screen of a molecule with the given type.
- screen
The
OESubSearchScreen
object that is generated.- mol
The molecule of which properties are encoded into the generated screen.
- stype
The type of the screen (either from the
OESubSearchScreenType
namespace or an internal screen type,OESubSearchScreenTypeBase
).
The OEMakeSubSearchTargetScreen
function also prepares the
molecule for the substructure search by doing the following.
suppresses explicit hydrogens
perceives the atom and bond properties of the molecule that are necessary to successfully execute the substructure search (see also the
OEPrepareSearch
function)
The OEMakeSubSearchTargetScreen
function returns true
if the screen was successfully generated and false
otherwise.
See also
OEMakeSubSearchTargetScreen
functionOEScreen
function