old_contents: """
  Tests BSE curation functions
  """
  
  import os
  import pytest
  
  from basis_set_exchange import api, readers, curate, manip, sort
  from .common_testvars import bs_names_sample
  
  # NOTE: CFour reader does not currently support ECP
  roundtrip_formats = ['turbomole', 'gaussian94', 'nwchem']
  
  
  @pytest.mark.parametrize('basis', bs_names_sample)
  @pytest.mark.parametrize('fmt', roundtrip_formats)
  def test_curate_roundtrip(tmp_path, basis, fmt):
      tmp_path = str(tmp_path)  # Needed for python 3.5
  
      # Many formats have limitations on general contractions
      if fmt == 'gaussian94':
          uncontract_general = True
          make_general = False
          uncontract_spdf = 1
      if fmt == 'turbomole':
          uncontract_general = True
          make_general = False
          uncontract_spdf = 0
      if fmt == 'nwchem':
          uncontract_general = False
          make_general = False
          uncontract_spdf = 1
      if fmt == 'cfour':
          uncontract_general = False
          make_general = True
          uncontract_spdf = 0
  
      bse_formatted = api.get_basis(basis, fmt=fmt)
      bse_dict = api.get_basis(basis, uncontract_general=uncontract_general, make_general=make_general)
      bse_dict = manip.uncontract_spdf(bse_dict, uncontract_spdf)
  
      outfile_path = os.path.join(tmp_path, 'roundtrip.txt')
      with open(outfile_path, 'w', encoding='utf-8') as outfile:
          outfile.write(bse_formatted)
  
      test_dict = readers.read_formatted_basis_file(outfile_path, fmt)
  
      test_dict = sort.sort_basis(test_dict)
      bse_dict = sort.sort_basis(bse_dict)
  
      import json
      with open('/tmp/bse.json', 'w') as f:
          json.dump(bse_dict, f, indent=2, sort_keys=True)
      with open('/tmp/test.json', 'w') as f:
          json.dump(test_dict, f, indent=2, sort_keys=True)
  
      # Compare, ignoring metadata (not stored in most formats)
      assert curate.compare_basis(bse_dict, test_dict, rel_tol=0.0)
  
new_contents: """
  Tests BSE curation functions
  """
  
  import os
  import pytest
  
  from basis_set_exchange import api, readers, curate, manip, sort
  from .common_testvars import bs_names_sample
  
  # NOTE: CFour reader does not currently support ECP
  roundtrip_formats = ['turbomole', 'gaussian94', 'nwchem']
  
  
  @pytest.mark.parametrize('basis', bs_names_sample)
  @pytest.mark.parametrize('fmt', roundtrip_formats)
  def test_curate_roundtrip(tmp_path, basis, fmt):
      tmp_path = str(tmp_path)  # Needed for python 3.5
  
      # Many formats have limitations on general contractions
      if fmt == 'gaussian94':
          uncontract_general = True
          make_general = False
          uncontract_spdf = 1
      if fmt == 'turbomole':
          uncontract_general = True
          make_general = False
          uncontract_spdf = 0
      if fmt == 'nwchem':
          uncontract_general = False
          make_general = False
          uncontract_spdf = 1
      if fmt == 'cfour':
          uncontract_general = False
          make_general = True
          uncontract_spdf = 0
  
      bse_formatted = api.get_basis(basis, fmt=fmt)
      bse_dict = api.get_basis(basis, uncontract_general=uncontract_general, make_general=make_general)
      bse_dict = manip.uncontract_spdf(bse_dict, uncontract_spdf)
  
      outfile_path = os.path.join(tmp_path, 'roundtrip.txt')
      with open(outfile_path, 'w', encoding='utf-8') as outfile:
          outfile.write(bse_formatted)
  
      test_dict = readers.read_formatted_basis_file(outfile_path, fmt)
  
      test_dict = sort.sort_basis(test_dict)
      bse_dict = sort.sort_basis(bse_dict)
  
      # Compare, ignoring metadata (not stored in most formats)
      assert curate.compare_basis(bse_dict, test_dict, rel_tol=0.0)
  
subject: Remove debugging output in test_curate_roundtrip