class Molecule:
	"""
	Data structure representing a molecule.

	:param nodes: When they are first parsed, nodes is a list of integers of size
	representing the atomic number of each of the atoms in the molecule (e.g for
	a molecule with atoms C, H, and F, it might look like [6, 1, 9]).
	In preprocess.py, this should be turned into a 2d numpy array
	representing the one-hotted versions of these numbers of size
	(num_atoms, 119) -- 119 is the size of our periodic table, and thus
	the max of our one-hotted array.
	:param edges: A list of tuples -- each tuple has two integers i and j representing a connection
	between the ith and jth nodes.
	:param label: np.long value of 1 if active against cancer, 0 if not.
	"""

	def __init__(self, nodes, edges, label):
		self.nodes = nodes
		self.edges = edges
		self.label = label
