def test_default_filenames():
datatypes = [
'model', 'ncs_spec', 'phil', 'real_map', 'restraint', 'sequence'
]
extensions = ['cif', 'ncs_spec', 'eff', 'mrc', 'cif', 'seq']
dm = DataManager(datatypes)
for datatype, extension in zip(datatypes, extensions):
filename = getattr(
dm, 'get_default_output_{datatype}_filename'.format(
datatype=datatype))()
assert filename == 'cctbx_program.' + extension
filename = dm.get_default_output_model_filename(extension='.abc')
assert filename == 'cctbx_program.abc'
def test_default_filenames():
datatypes = [
'model', 'ncs_spec', 'phil', 'real_map', 'restraint', 'sequence'
]
extensions = ['cif', 'ncs_spec', 'eff', 'mrc', 'cif', 'seq']
dm = DataManager(datatypes)
for datatype, extension in zip(datatypes, extensions):
filename = getattr(
dm, 'get_default_output_{datatype}_filename'.format(
datatype=datatype))()
assert filename == 'cctbx_program.' + extension
filename = dm.get_default_output_model_filename(extension='.abc')
assert filename == 'cctbx_program.abc'
class TestProgram(ProgramTemplate):
master_phil_str = """
output {
serial = 0
.type = int
}
"""
master_phil = iotbx.phil.parse(TestProgram.master_phil_str)
working_phil = iotbx.phil.parse(ProgramTemplate.master_phil_str)
params = master_phil.fetch(working_phil).extract()
p = ProgramTemplate(dm, params, master_phil)
assert dm.get_default_output_filename() == 'cctbx_program_000'
dm.set_overwrite(True)
dm.write_model_file('abc') # cctbx_program_000.cif
dm.write_phil_file('123') # cctbx_program_000.eff
dm.write_phil_file('456') # cctbx_program_001.eff
dm.write_model_file('def') # cctbx_program_001.cif
assert dm.get_default_output_filename() == 'cctbx_program_001'
dm.write_sequence_file('ghi') # cctbx_program_001.seq
dm.write_sequence_file('hkl') # cctbx_program_002.seq
assert dm.get_default_output_filename() == 'cctbx_program_002'
assert os.path.isfile('cctbx_program_000.cif')
assert os.path.isfile('cctbx_program_001.cif')
assert os.path.isfile('cctbx_program_000.eff')
assert os.path.isfile('cctbx_program_001.eff')
assert os.path.isfile('cctbx_program_001.seq')
assert os.path.isfile('cctbx_program_002.seq')
os.remove('cctbx_program_000.cif')
os.remove('cctbx_program_001.cif')
os.remove('cctbx_program_000.eff')
os.remove('cctbx_program_001.eff')
os.remove('cctbx_program_001.seq')
os.remove('cctbx_program_002.seq')
