from pymol import cmd from pymol import test_utils from pymol.querying import cif_get_array @test_utils.requires_version("3.0") def test_bcif(): cmd.load(test_utils.datafile("115d.bcif.gz")) assert cmd.count_atoms() == 407 @test_utils.requires_version("3.0") def test_bcif_array(): obj_name = "foo" cmd.set('cif_keepinmemory', 1) cmd.load(test_utils.datafile("115d.bcif.gz"), object=obj_name) arr = cif_get_array(obj_name, "_pdbx_database_status.entry_id", "s") assert arr == ["115D"] arr = cif_get_array(obj_name, "_entity_poly.pdbx_strand_id", "s") assert arr == ["A,B"] arr = cif_get_array(obj_name, "_pdbx_struct_oper_list.name", "s") assert arr == ["1_555"] arr = cif_get_array(obj_name, "_pdbx_struct_assembly.oligomeric_count", "i") assert arr == [2]