Example #1
0
 def sg_mol(**kwargs):
     kwargs['ret_geometry'] = True
     if 'geom' not in kwargs:
         kwargs['geom'] = self.mol
     return sgeom(**kwargs)
Example #2
0
 def test_cite(self):
     sgeom(argv=['--cite'])
Example #3
0
 def test_version(self):
     sgeom(argv=['--version'])
Example #4
0
 def test_help(self):
     with pytest.raises(SystemExit):
         sgeom(argv=['--help'])
Example #5
0
 def sg_g(**kwargs):
     kwargs['ret_geometry'] = True
     if 'geometry' not in kwargs:
         kwargs['geometry'] = self.g
     return sgeom(**kwargs)
Example #6
0
 def sg_mol(**kwargs):
     kwargs['ret_geometry'] = True
     if 'geom' not in kwargs:
         kwargs['geom'] = self.mol
     return sgeom(**kwargs)