def MC_step(present_configuration, sequence, T_star):
# run over all beads in configuration
present_V = energy_function(present_configuration,sequence)
for m in range(len(sequence)):
moves = find_move(m, present_configuration, len(sequence))
if not moves: continue
next_configuration = apply_move(moves, present_configuration)
next_V = energy_function(next_configuration, sequence)
if calc_acceptance(present_V, next_V, sequence, T_star):
present_configuration = next_configuration
present_V = next_V
return present_configuration, present_V
def MC_step(present_configuration, sequence, T_star,sequence_traversals, nbr_moves):
# run over all beads in configuration
present_V = energy_function(present_configuration,sequence)
for m in range(len(sequence)):
moves = find_move(m, present_configuration, len(sequence))
if not moves: continue
next_configuration = apply_move(moves, present_configuration)
next_V = energy_function(next_configuration, sequence)
if calc_acceptance(present_V, next_V, sequence, T_star):
present_configuration = next_configuration
present_V = next_V
nbr_moves += 1
#~ print 'Moved! Number of moves = %f and presentV = %f .' % (nbr_moves, present_V)
sequence_traversals += 1
return (present_configuration, sequence_traversals, nbr_moves)