new_contents: import numpy as np
  import pandas as pd
  import matplotlib.pyplot as plt
  
  
  def test_model_types():
      """
      Test choosing the model
      """
      models = ['MLP Regressor', 'MLP Classifier', 'LASSO', 'SVR']
      assert len(models)==4, "Too more models than expect"
      return models
  
  
  def test_read_SMILES():
      """
      Test Reading compound names and SMILES from file
  
      Inputs
      -----
      None
  
  
      Returns
      ------
      A_list : names of 'A' compounds
      A_smiles : SMILES of corresponding 'A' compounds
      B_list : names of 'B' compounds
      B_smiles : SMILES of corresponding 'B' compounds
      
      Check:
      1. Make sure the xlsx is read to a dataframe, otherwise 
      the itertuples() will cast ans error
      """
  
      df = pd.read_excel('../datasets/compoundSMILES.xlsx')
      A_list = []
      A_smiles = []
      B_list = []
      B_smiles = []
      assert isinstance(df,pd.DataFrame), "You should read the xlsx to a pandas dataframe"
      # remove duplicates
      for row in df.itertuples():
          if row[1] not in A_list:
              A_list.append(row[1])
              A_smiles.append(row[2])
          if row[3] not in B_list:
              B_list.append(row[3])
              B_smiles.append(row[4])
  
      return A_list, A_smiles, B_list, B_smiles
  
subject: Add unittest test_core.py