def guess_geometry(graph, unit_cell=None, verbose=False):
N = len(graph.numbers)<EOL>from molmod.minimizer import Minimizer, ConjugateGradient,NewtonLineSearch, ConvergenceCondition, StopLossCondition<EOL>search_direction = ConjugateGradient()<EOL>line_search = NewtonLineSearch()<EOL>convergence = ConvergenceCondition(grad_rms=<NUM_LIT>, step_rms=<NUM_LIT>)<EOL>stop_loss = StopLossCondition(max_iter=<NUM_LIT>, fun_margin=<NUM_LIT:0.1>)<EOL>ff = ToyFF(graph, unit_cell)<EOL>x_init = np.random.normal(<NUM_LIT:0>, <NUM_LIT:1>, N*<NUM_LIT:3>)<EOL>ff.dm_quad = <NUM_LIT:1.0><EOL>minimizer = Minimizer(x_init, ff, search_direction, line_search, convergence, stop_loss, anagrad=True, verbose=verbose)<EOL>x_init = minimizer.x<EOL>ff.dm_quad = <NUM_LIT:1.0><EOL>ff.dm_reci = <NUM_LIT:1.0><EOL>minimizer = Minimizer(x_init, ff, search_direction, line_search, convergence, stop_loss, anagrad=True, verbose=verbose)<EOL>x_init = minimizer.x<EOL>x_init += np.random.uniform(-<NUM_LIT>, <NUM_LIT>, len(x_init))<EOL>ff.dm_quad = <NUM_LIT:0.0><EOL>ff.dm_reci = <NUM_LIT><EOL>ff.bond_quad = <NUM_LIT:1.0><EOL>minimizer = Minimizer(x_init, ff, search_direction, line_search, convergence, stop_loss, anagrad=True, verbose=verbose)<EOL>x_init = minimizer.x<EOL>ff.bond_quad = <NUM_LIT:0.0><EOL>ff.bond_hyper = <NUM_LIT:1.0><EOL>ff.span_quad = <NUM_LIT:1.0><EOL>minimizer = Minimizer(x_init, ff, search_direction, line_search, convergence, stop_loss, anagrad=True, verbose=verbose)<EOL>x_init = minimizer.x<EOL>x_opt = x_init<EOL>mol = Molecule(graph.numbers, x_opt.reshape((N, <NUM_LIT:3>)))<EOL>return mol<EOL>
Construct a molecular geometry based on a molecular graph.

       This routine does not require initial coordinates and will give a very
       rough picture of the initial geometry. Do not expect all details to be
       in perfect condition. A subsequent optimization with a more accurate
       level of theory is at least advisable.

       Argument:
        | ``graph``  --  The molecular graph of the system, see
                         :class:molmod.molecular_graphs.MolecularGraph

       Optional argument:
        | ``unit_cell``  --  periodic boundry conditions, see
                             :class:`molmod.unit_cells.UnitCell`
        | ``verbose``  --  Show optimizer progress when True