OEMDLQueryOpts namespace encodes symbolic
constants used as bit-masks to indicate how to interpret MDL query
files or MDL reaction imported by
This namespace contains the following constants:
Controls how the explicit hydrogens of the query are matched to the explicit/implicit hydrogens of the target structures.
Controls whether or not map an aliphatic query bond only to aliphatic bonds in the target structure during the substructure search.
By default, a bond that is part of any ring system in the query structure
can only be mapped to ring bonds in the target structure.
controls whether or not map a chain query bond only to chain bonds in the
target structure during the substructures search.
By default, atom stereo information is not considered when building query molecules, allowing unconditional match between any atom configuration.
option is turned on, an S/R atom stereo configuration in the
query will match only to any S/R configuration in the target
molecule, but not to a R/S (opposite) or an unspecified one.
If an atom stereo configuration is undefined in the query,
it can match to any atom regardless to its stereo configuration.
By default, the isotopic information (i.e. lines starting with
M ISO in the MDL query file) is ignored.
OEMDLQueryOpts.MatchIsotope option is
turned on, a query isotope atoms can be match to a target atom only if
it has the same atomic mass.
If the query atom has no specified isotope number, it will still match
to any target atom regardless of its atomic mass.
OEMDLQueryOpts.Optimize option is
turned on, the atom and bond expressions are optimized for
MDL reaction files are interpreted differently from MDL query files.
The usage of
OEMDLQueryOpts.ReactionQuery option is
necessary when a MDL reaction is imported with the
MDL Reaction Query File section