def __init__(self, jdata, descrpt, fitting):
self.descrpt = descrpt
self.rcut = self.descrpt.get_rcut()
self.ntypes = self.descrpt.get_ntypes()
# fitting
self.fitting = fitting
self.numb_fparam = self.fitting.get_numb_fparam()
args = ClassArg()\
.add('type_map', list, default = []) \
.add('rcond', float, default = 1e-3) \
.add('use_srtab', str)
class_data = args.parse(jdata)
self.type_map = class_data['type_map']
self.srtab_name = class_data['use_srtab']
self.rcond = class_data['rcond']
if self.srtab_name is not None:
self.srtab = TabInter(self.srtab_name)
args.add('smin_alpha', float, must = True)\
.add('sw_rmin', float, must = True)\
.add('sw_rmax', float, must = True)
class_data = args.parse(jdata)
self.smin_alpha = class_data['smin_alpha']
self.sw_rmin = class_data['sw_rmin']
self.sw_rmax = class_data['sw_rmax']
else:
self.srtab = None
def test_multi_add(self):
ca = ClassArg().add('test', int)
test_dict = {'test2': 'foo'}
ca.parse(test_dict)
self.assertEqual(ca.get_dict(), {'test': None})
ca.add('test2', str)
ca.parse(test_dict)
self.assertEqual(ca.get_dict(), {'test': None, 'test2': 'foo'})