Exemple #1
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 def sg_mol(**kwargs):
     kwargs['ret_geometry'] = True
     if 'geom' not in kwargs:
         kwargs['geom'] = self.mol
     return sgeom(**kwargs)
Exemple #2
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 def test_cite(self):
     sgeom(argv=['--cite'])
Exemple #3
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 def test_version(self):
     sgeom(argv=['--version'])
Exemple #4
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 def test_help(self):
     with pytest.raises(SystemExit):
         sgeom(argv=['--help'])
Exemple #5
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 def sg_g(**kwargs):
     kwargs['ret_geometry'] = True
     if 'geometry' not in kwargs:
         kwargs['geometry'] = self.g
     return sgeom(**kwargs)
Exemple #6
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 def sg_mol(**kwargs):
     kwargs['ret_geometry'] = True
     if 'geom' not in kwargs:
         kwargs['geom'] = self.mol
     return sgeom(**kwargs)