Some comments for test_code/generate/run.py

[Nanco-L]

First of all, I'm really satisfied with this code but there are some comments.

1. Clarify each test

SIMPLE-NN_v2/test_code/generate/run.py

Lines 35 to 52 in 4758279

	def comp(d1, d2):
	if type(d1) == dict:
	for key in d1.keys():
	comp(d1[key], d2[key])
	elif type(d1) == int or type(d1) == float or type(d1) == str:
	if d1 != d2:
	err_key = 1
	else:
	comp_list(d1, d2)
	def comp_list(l1, l2):
	try: # if l1 is list, numpy array type
	len(l1)
	for i in range(len(l1)):
	comp_list(l1[i], l2[i])
	except: # if l1 is single value
	if l1 != l2:
	err_key = 1

What is the difference between comp and comp_list?
And why both functions use the same tag err_key?
I recommend using a separate tag and clarity the detail of each test in the log file.

2. Style, space, typo

Please double-check about these things.

1. Add space at both sides of '='
   

   SIMPLE-NN_v2/test_code/generate/run.py

   Lines 21 to 31 in 4758279

   	f=open('../test_data/SiO2/data1.pickle', 'rb')
   	d1=pickle.load(f)
   	f.close()
   	DIR = descriptor.inputs['save_directory']
   	if descriptor.inputs['save_to_pickle'] == True:
   	f=open(DIR+'/data1.pickle', 'rb')
   	d2=pickle.load(f)
   	f.close()
   	else:
   	d2=torch.load(DIR+'/data1.pt')

2. Typo
   

   SIMPLE-NN_v2/test_code/generate/run.py

   Line 59 in 4758279

   print("COMPLET: generate data Ok!")

   
   COMPLET -> COMPLETE
   (The same typo also exists in README)