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add multidentate check
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rmgpy/molecule/molecule.py

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@@ -2801,6 +2801,16 @@ def get_surface_sites(self):
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cython.declare(atom=Atom)
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return [atom for atom in self.atoms if atom.is_surface_site()]
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def is_multidentate(self):
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"""
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Return ``True`` if the adsorbate contains at least two binding sites,
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or ``False`` otherwise.
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"""
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cython.declare(atom=Atom)
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if len([atom for atom in self.atoms if atom.is_surface_site()])>=2:
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return True
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return False
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def get_adatoms(self):
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"""
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Get a list of adatoms in the molecule.

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