def test_fleurinp_modifier_instance_modifications(create_fleurinp): """Tests if set_nmmpmat works on fleurinp modifier works, with right interface""" fleurinp_tmp = create_fleurinp(inpxmlfilefolder2) n_mmp_mat_file = os.path.dirname(os.path.abspath(__file__)) n_mmp_mat_file = os.path.abspath(os.path.join(n_mmp_mat_file, '../files/n_mmp_mat/n_mmp_mat_GaAsMultiForceXML')) fm = FleurinpModifier(fleurinp_tmp) fm.set_file(n_mmp_mat_file, dst_filename='n_mmp_mat') new_fleurinp = fm.freeze() assert 'n_mmp_mat' in new_fleurinp.files fm = FleurinpModifier(new_fleurinp) fm.del_file('n_mmp_mat') new_fleurinp = fm.freeze() assert 'n_mmp_mat' not in new_fleurinp.files
def test_fleurinp_modifier_instance_modifications_node(create_fleurinp): """Tests if set_nmmpmat works on fleurinp modifier works, with right interface""" from aiida.orm import FolderData fleurinp_tmp = create_fleurinp(inpxmlfilefolder2) n_mmp_mat_folder = os.path.dirname(os.path.abspath(__file__)) n_mmp_mat_folder = os.path.abspath(os.path.join(n_mmp_mat_folder, '../files/n_mmp_mat')) n_mmp_mat_folder = FolderData(tree=n_mmp_mat_folder) n_mmp_mat_folder.store() fm = FleurinpModifier(fleurinp_tmp) fm.set_file('n_mmp_mat_GaAsMultiForceXML', dst_filename='n_mmp_mat', node=n_mmp_mat_folder) new_fleurinp = fm.freeze() assert 'n_mmp_mat' in new_fleurinp.files fm = FleurinpModifier(new_fleurinp) fm.del_file('n_mmp_mat') new_fleurinp = fm.freeze() assert 'n_mmp_mat' not in new_fleurinp.files