class Molecule():
def __init__(self, pos):
self.pos = pos
self.hydrogen = []
self.bondlength = 1
self.central = Atom(self.pos, "carbon")
self.size = 1
self.bonds = 0
self.placehydrogen()
def placehydrogen(self):
self.bonds = threed.tetrahedron(self.bondlength)[0:self.size]
for vector in self.bonds:
self.hydrogen.append(Atom(self.pos + vector, "hydrogen"))
def getpos(self):
return self.pos
def gethydrogen(self):
positions = []
for each in self.hydrogen:
positions.append(each.pos)
return positions
def spin(self):
rotation = threed.randrotationMatrix()
for i in range(len(self.bonds)):
self.bonds[i] = np.matmul(rotation, self.bonds[i])
self.hydrogen[i].pos = self.pos + self.bonds[i]
def getmass(self):
total = 0
for atom in self.hydrogen:
total = total + atom.getmass()
total = total + self.central.getmass()
return total
