OEIsForceFieldDummyAtom¶
bool OEIsForceFieldDummyAtom(const OEChem::OEAtomBase *atom)
Returns whether OESetForceFieldDummyAtom
has been used on the atom to indicate it can be used as
a force field dummy atom. The atom’s atomic number does
not have to be OEElemNo::Du
for the function
to return true
.
See also
OESetForceFieldDummyAtom
functionOEClearForceFieldDummyAtom
functionOEClearForceFieldDummyAtoms
function
Note
This function is defined in the OEChem TK, but in the OEFF main namespace.