def main():
rails_environment = sys.argv[1]
connection = dbf.connect_to_database(rails_environment)
connection.autocommit = True
database_row_id=sys.argv[2]
cur = connection.cursor()
cur.execute ("SELECT * FROM metalics WHERE id=\'"+database_row_id+"\' LIMIT 1;")
database_row = cur.fetchone()
database_row_id = database_row[0]
params = database_row[1]
algorithm = database_row[2]
solver = None
if algorithm == "MD Solver":
solver = md.MDSolver(params)
elif algorithm =="Genetics":
solver = gas.GeneticSolver(params)
elif algorithm == "Simulated Annealing":
solver = san.simulatedAnnealingNano(params)
elif algorithm == "Basin Hopping":
solver = sbh.randomSolver(params)
if solver is None:
print "ERROR: Invalid solver!"
else:
solver.cur = cur
solver.database_row_id=database_row_id
solver.setStatusDone("Calculating solution...")
solution = solver.solve()
solver.setSolution(solution)
solver.setDone('y')
print solution
def main():
minPoints = 10
maxPoints = 1500
pointInterval = 6
iteration = 1
n = open('nul','w')
sys.stdout=n
output=""
for points in xrange(minPoints,maxPoints,pointInterval):
output+=str(points) + "\n\r"
distances = [0,0,0,0,0,0,0,0,0,0,0]
times =[0,0,0,0,0,0,0,0,0]
for iterations in xrange(iteration):
solver = []
#solver.append(md.MDSolver()) WE NEVER RAN A TEST CASE WITH THIS
#solver.append(san.simulatedAnnealingNano()) THIS WAS INCLUDED IN THE FIRST FOUR POINTS
solver.append(sbh.randomSolver())
solver.append(gas.GeneticSolver())
for solves in xrange(len(solver)):
solver[solves].numberOfAtoms = points
string = "Al" + str(points/2) + "Ni" + str(points/2)
solver[solves].definingString = string
timer = time.time()
solution = solver[solves].solve()
timer = time.time()-timer
times[solves] += timer
distances[solves] += solver[solves].bestEnergy
print"a",str(points)
for solves in xrange(len(solver)):
output+=str(times[solves]/iteration) + "\n\r"
output+=str(distances[solves]/iteration) + "\n\r"
f = open("output.txt", "w")
#if points % 4 == 2:
# f = open("output.txt", "w")
# else:
# f = open("output1.txt", "w")
f.write(output)
f.close()
