Open Babel
3.0
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#include <openbabel/babelconfig.h>
#include <openbabel/mol.h>
#include <openbabel/atom.h>
#include <openbabel/bond.h>
#include <openbabel/obiter.h>
#include <openbabel/kekulize.h>
#include <cstdlib>
#include <cstring>
Namespaces | |
OpenBabel | |
Functions | |
static unsigned int | GetMaxAtomIdx (OBMol *mol) |
static unsigned int | GetMaxBondIdx (OBMol *mol) |
static bool | IsSpecialCase (OBAtom *atom) |
static bool | NeedsDoubleBond (OBAtom *atom) |
bool | OBKekulize (OBMol *mol) |
Algorithm to kekulize a molecule.