Replace atomic_properties_lda2015.py

atomicfeaturespackage/atomicproperties/atomic_properties_lda2015.py

 #!/usr/bin/env python
 # coding: utf-8
 
-# In[1]:
+'''
+Module : atomic_properties_lda2015
+
+This module with help of  atomic_properties_lda2015 class from metainfo module instantiates objects with atomic element symbol as identifier to access atomic features available 
+'''
 
 
 from atomicfeaturespackage.metainfo.metainfo import atomic_properties_lda2015,metadata
@@ -9,22 +13,17 @@ import pandas as pd
 import os
 
 
-# In[2]:
-
-
 path = os.path.abspath(os.path.join(os.path.dirname(__file__),".."))
 path_new = os.path.join(path, "data","lda2015", "Atomic_features.csv")
 df1 = pd.read_csv(path_new)
-method_list = [method for method in dir(atomic_properties_lda2015) if (method.startswith('m_') or method.startswith('_') or method.startswith('__') or method.startswith('val') or method.startswith('section_') or method.startswith('get'))  is False]
 
-# In[4]:
+# This method_list object could be called after importing this module so one can easily see all the quantities accessible.
+method_list = [method for method in dir(atomic_properties_lda2015) if (method.startswith('m_') or method.startswith('_') or method.startswith('__') or method.startswith('val') or method.startswith('section_') or method.startswith('get'))  is False]
 
 
 objs = []
 
 
-# In[5]:
-
 
 for i in df1['atomic_element_symbol']:
         fhi = atomic_properties_lda2015()
@@ -32,8 +31,6 @@ for i in df1['atomic_element_symbol']:
         objs.append(fhi)
 
 
-# In[6]:
-
 
 count = 0
 
@@ -59,12 +56,12 @@ for count, symbol in enumerate(atomic_element_symbol):
     globals()[symbol] = objs[count]
 
 
-# ### This function can be called to access quantity definitions
-
-# In[7]:
-
 
 def definition(abc):
+    '''
+    This function can be used to access quantity definitions for each element features accessible
+    '''
+    
     if abc == 'atomic_number':
         return atomic_properties_lda2015.atomic_number.__doc__
     if abc == 'atomic_element_symbol':
@@ -92,12 +89,9 @@ def definition(abc):
     if abc == 'atomic_basis_set':
         return metadata.atomic_basis_set.__doc__
 
-
-# #### This function utilty is, it can be called to access element properties based on its symbol in periodic table. Can be usefull if want to acess particular property of multiple elements at once
-
-# In[8]:
-
-
 def symbol(abc):
+    '''
+This function utilty is, it can be called to access element properties based on its symbol in periodic table. Can be usefull if one wants to acess particular property of multiple elements at once
+    '''
     return globals()[abc]