text: import unittest
  
  import numpy as np
  import pkg_resources
  
  from deeprank.features import AtomicFeature
  
  # in case you change the ref don't forget to:
  # - comment the first line (E0=1)
  # - uncomment the last two lines (Total = ...)
  # - use the corresponding PDB file to test
  #REF = './1AK4/atomic_features/ref_1AK4_100w.dat'
  pdb = './decoys/complex.1.pdb'
  #pdb = './1AK4_10w.pdb'
  test_name = './atomic_features/test_2OUL_1.dat'
  
  # get the force field included in deeprank
  # if another FF has been used to compute the ref
  # change also this path to the correct one
  FF = pkg_resources.resource_filename('deeprank.features', '') + '/forcefield/'
  
  # declare the feature calculator instance
  atfeat = AtomicFeature(pdb, fix_chainID=True,
                         param_charge=FF + 'protein-allhdg5-4_new.top',
                         param_vdw=FF + 'protein-allhdg5-4_new.param',
                         patch_file=FF + 'patch.top')
  # assign parameters
  atfeat.assign_parameters()
  
  # only compute the pair interactions here
  atfeat.evaluate_pair_interaction(
      save_interactions=test_name,
      print_interactions=True)
  
  
  # # make sure that the other properties are not crashing
  # atfeat.compute_coulomb_interchain_only(contact_only=True)
  # atfeat.compute_coulomb_interchain_only(contact_only=False)
  
  # # make sure that the other properties are not crashing
  # atfeat.compute_vdw_interchain_only(contact_only=True)
  # atfeat.compute_vdw_interchain_only(contact_only=False)
  
  # # close the db
  # atfeat.sqldb._close()
  