def get_angles(self):
test_conf = Conformer()
test_conf.rmg_molecule = self.rmg_molecule
try:
test_conf._rdkit_molecule = self._pseudo_geometry
except:
self.get_rdkit_mol()
test_conf._rdkit_molecule = self._pseudo_geometry
test_conf._ase_molecule = self.ase_molecule
return test_conf.get_angles()
def get_torsions(self):
test_conf = Conformer()
test_conf.rmg_molecule = self.rmg_molecule
test_conf.rdkit_molecule = self._pseudo_geometry
test_conf.ase_molecule = self.ase_molecule
return test_conf.get_torsions()