def crossoverCenter(self, selectedCell1, selectedCell2):
newCell = Gene()
if random.randint(0, 1) == 1:
newCell.x = selectedCell1.x
else:
newCell.x = selectedCell2.x
if random.randint(0, 1) == 1:
newCell.y = selectedCell1.y
else:
newCell.y = selectedCell2.y
if random.randint(0, 1) == 1:
newCell.z = selectedCell1.z
else:
newCell.z = selectedCell2.z
if random.randint(0, 1) == 1:
newCell.sph_theta = selectedCell1.sph_theta
newCell.sph_phi = selectedCell1.sph_phi
newCell.theta = selectedCell1.theta
newCell.rotateBonds = selectedCell1.rotateBonds[:]
else:
newCell.sph_theta = selectedCell2.sph_theta
newCell.sph_phi = selectedCell2.sph_phi
newCell.theta = selectedCell2.theta
newCell.rotateBonds = selectedCell2.rotateBonds[:]
return newCell
def crossoverSPC(self, selectedCell1, selectedCell2):
pop1 = []
pop2 = []
pop1.append(selectedCell1.x)
pop1.append(selectedCell1.y)
pop1.append(selectedCell1.z)
pop1.append(selectedCell1.sph_theta)
pop1.append(selectedCell1.sph_phi)
pop1.append(selectedCell1.theta)
for angle in selectedCell1.rotateBonds:
pop1.append(angle)
pop2.append(selectedCell2.x)
pop2.append(selectedCell2.y)
pop2.append(selectedCell2.z)
pop2.append(selectedCell2.sph_theta)
pop2.append(selectedCell2.sph_phi)
pop2.append(selectedCell2.theta)
for angle in selectedCell2.rotateBonds:
pop2.append(angle)
genSize = len(pop1)
cutPoint = random.randint(0, genSize - 1)
length = random.randint(0, genSize - 1)
if length == 0:
return selectedCell1
elif length > (genSize - cutPoint):
newPop = pop1[cutPoint:]
turnTop = length - (genSize - cutPoint)
for i in range(0, turnTop):
newPop.insert(i, pop1[i])
for i in range(turnTop, cutPoint):
newPop.insert(i, pop2[i])
else:
newPop = pop1[cutPoint:cutPoint + length]
for i in range(0, cutPoint):
newPop.insert(i, pop2[i])
for i in range(cutPoint + length, genSize):
newPop.insert(i, pop2[i])
newCell = Gene()
newCell.x = newPop[0]
newCell.y = newPop[1]
newCell.z = newPop[2]
newCell.sph_theta = newPop[3]
newCell.sph_phi = newPop[4]
newCell.theta = newPop[5]
newCell.rotateBonds = newPop[6:]
return newCell
def crossover50(self, selectedCell1, selectedCell2):
newCell = Gene()
#switch center of ligand
centrand = random.randint(0, 5)
if centrand == 0:
newCell.x = selectedCell1.x
newCell.y = selectedCell2.y
newCell.z = selectedCell2.z
elif centrand == 1:
newCell.x = selectedCell1.x
newCell.y = selectedCell1.y
newCell.z = selectedCell2.z
elif centrand == 2:
newCell.x = selectedCell1.x
newCell.y = selectedCell1.y
newCell.z = selectedCell1.z
elif centrand == 3:
newCell.x = selectedCell2.x
newCell.y = selectedCell2.y
newCell.z = selectedCell2.z
elif centrand == 4:
newCell.x = selectedCell2.x
newCell.y = selectedCell1.y
newCell.z = selectedCell1.z
else:
newCell.x = selectedCell2.x
newCell.y = selectedCell2.y
newCell.z = selectedCell1.z
#switch rotation of ligand
rotrand = random.randint(0, 5)
if rotrand == 0:
newCell.sph_theta = selectedCell1.sph_theta
newCell.sph_phi = selectedCell2.sph_phi
newCell.theta = selectedCell2.theta
elif rotrand == 1:
newCell.sph_theta = selectedCell1.sph_theta
newCell.sph_phi = selectedCell1.sph_phi
newCell.theta = selectedCell2.theta
elif rotrand == 2:
newCell.sph_theta = selectedCell1.sph_theta
newCell.sph_phi = selectedCell1.sph_phi
newCell.theta = selectedCell1.theta
elif rotrand == 3:
newCell.sph_theta = selectedCell2.sph_theta
newCell.sph_phi = selectedCell2.sph_phi
newCell.theta = selectedCell2.theta
elif rotrand == 4:
newCell.sph_theta = selectedCell2.sph_theta
newCell.sph_phi = selectedCell1.sph_phi
newCell.theta = selectedCell1.theta
else:
newCell.sph_theta = selectedCell2.sph_theta
newCell.sph_phi = selectedCell2.sph_phi
newCell.theta = selectedCell1.theta
#switch rotational bonds
bondrand = random.randint(0, (len(selectedCell1.rotateBonds) - 1))
if random.randint(0, 1) == 1:
newCell.rotateBonds = selectedCell1.rotateBonds[:
bondrand] + selectedCell2.rotateBonds[
bondrand:]
else:
newCell.rotateBonds = selectedCell2.rotateBonds[:
bondrand] + selectedCell1.rotateBonds[
bondrand:]
return newCell