Package schrodinger :: Package application :: Package canvas :: Module r_group_dee :: Class SimulatedAnnealing
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Class SimulatedAnnealing

Instance Methods [hide private]
 
__init__(self, energy_matrix, sa_seed=None, t_factor=None, tmax_mult=None)
Initializer for simulated annealing class.
 
run(self)
 
is_another_best_config(self, solution)
 
new_best(self, energy, solution)
 
report_t(self, t, start_E, end_E, tsteps, totalCnt, acceptCnt)
 
getNewSolution(self, solution_old)
 
neighbor(self, solution)
 
new_temperature(self, old_t)
 
boltzmann_probability(self, e_old, e_new, t)
 
getBestMatch(self)
Static Methods [hide private]
 
getChoiceSpectrum(choices)
Method Details [hide private]

__init__(self, energy_matrix, sa_seed=None, t_factor=None, tmax_mult=None)
(Constructor)

 

Initializer for simulated annealing class.

Parameters:
  • energy_matrix (DEE_EnergyMatrix) - precalculated pairwise matrix used by SA.
  • sa_seed (int) - SA random number generator seed
  • t_fac - Factor (<1) by which T will be multiplied at each T change
  • tmax_mult (float) - Factor by which no. of st. will be multiplied to get starting T