python_packaging/sample_restraint/tests/conftest.py

   1 """Configuration and fixtures for pytest."""
   2
   3 import pytest
   4 import tempfile
   5 import os
   6
   7 @pytest.fixture()
   8 def cleandir():
   9     """Provide a clean working directory for tests.
  10
  11     Example usage:
  12
  13         import os
  14         import pytest
  15
  16         @pytest.mark.usefixtures("cleandir")
  17         class TestDirectoryInit(object):
  18             def test_cwd_starts_empty(self):
  19                 assert os.listdir(os.getcwd()) == []
  20                 with open("myfile", "w") as f:
  21                     f.write("hello")
  22
  23             def test_cwd_again_starts_empty(self):
  24                 assert os.listdir(os.getcwd()) == []
  25
  26     Ref: https://docs.pytest.org/en/latest/fixture.html#using-fixtures-from-classes-modules-or-projects
  27     """
  28     newpath = tempfile.mkdtemp()
  29     os.chdir(newpath)
  30
  31
  32 try:
  33     from mpi4py import MPI
  34     withmpi_only = pytest.mark.skipif(not MPI.Is_initialized() or MPI.COMM_WORLD.Get_size() < 2,
  35                                       reason="Test requires at least 2 MPI ranks, but MPI is not initialized or too small.")
  36 except ImportError:
  37     withmpi_only = pytest.mark.skip(reason="Test requires at least 2 MPI ranks, but mpi4py is not available.")
  38
  39 @pytest.fixture()
  40 def tpr_filename():
  41     """Provide a sample TPR file by filename."""
  42     current_dir = os.path.dirname(__file__)
  43     file_path = os.path.join(current_dir, 'topol.tpr')
  44     return os.path.abspath(file_path)