OESLNFlag¶
This namespace contains constants.
Isotopes
Controls whether isotopic mass is written to the generated SLN strings.
Hydrogens
Controls whether explicit hydrogens are automatically suppressed and written to the SLN string as part of an atom’s implicit hydrogen count.
Canonical
Controls whether we attempt to generate canonical SLN strings.
Kekule
Controls whether we generate Kekulé or aromatic SLN strings. The
OECreateSlnString
function uses the currently
assigned aromaticity model. Ideally, from compatibility with Tripos
generated SLN, the user should assign Tripos aromaticity to the
molecule when writing aromatic SLN, calling the function
OEAssignAromaticFlags
with
OEChem::OEAroModelTripos
aromaticity model.
Name
Controls whether we append the SLN name attribute to the end of each SLN string.
FCharge
Controls whether we output the partial charge on each atom.
Coords2D
Coords3D
DEFAULT
The default value, OESLNFlag::DEFAULT
currently contains the
flavor OESLNFlag::Name
.