Changes for support models (1853b5cd) · Commits · 钟慕尧 / deepchem

deepchem/datasets/init.py

+15 −2

Original line number	Diff line number	Diff line
		@@ -277,7 +277,7 @@ class NumpyDataset(Dataset):
		for j in range(len(interval_points)-1):
		indices = range(interval_points[j], interval_points[j+1])
		perm_indices = sample_perm[indices]
		X_batch = dataset._X[perm_indices, :]
		X_batch = dataset._X[perm_indices]
		y_batch = dataset._y[perm_indices]
		w_batch = dataset._w[perm_indices]
		ids_batch = dataset._ids[perm_indices]
		@@ -875,9 +875,22 @@ class DiskDataset(Dataset):
		def X(self):
		"""Get the X vector for this dataset as a single numpy array."""
		Xs = []
		##################################################### DEBUG
		#print("dataset.X computation.")
		one_dimensional = False
		##################################################### DEBUG
		for (X_b, _, _, _) in self.itershards():
		Xs.append(X_b)
		##################################################### DEBUG
		#print("X_b.shape")
		#print(X_b.shape)
		if len(X_b.shape) == 1:
		one_dimensional = True
		##################################################### DEBUG
		if not one_dimensional:
		return np.vstack(Xs)
		else:
		return np.concatenate(Xs)

		@property
		def y(self):