import os import rpath _rpath = os.path.dirname(rpath.__file__) + '/' from triqs_dft_tools.converters.plovasp.converter import generate_and_output_as_text from triqs_dft_tools.converters import VaspConverter import mytest ################################################################################ # # TestConverterOneSite # ################################################################################ class TestConverterOneSite(mytest.MyTestCase): """ Function: def generate_and_output_as_text(pars, el_struct) and VaspConverter Scenarios: - Parse config file and produce a correct converted h5-file """ # Scenario 1 def test_convert_one_site(self): generate_and_output_as_text(_rpath + 'example.cfg', _rpath + 'one_site/') test_file = _rpath + 'pg_output.test.h5' converter = VaspConverter(filename=_rpath + 'one_site', hdf_filename=test_file) converter.convert_dft_input() expected_file = _rpath + 'pg_output.out.h5' self.assertH5FileEqual(test_file, expected_file) if __name__ == '__main__': import unittest unittest.main(verbosity=2, buffer=False)