def __init__(self, template_data, template_data_type='file', \
template_chain_name='A', seq=None):
#TODO: same order of arguments as in ModernaStructure
ModernaStructure.__init__(self, data_type= template_data_type, \
data=template_data, chain_name=template_chain_name, seq=seq)
self.template_residues = {}
self.set_template_numeration()
def __init__(self,
template=None,
alignment=None,
model_chain_name='A',
data_type=None,
data=None,
seq=None):
ModernaStructure.__init__(self,
data_type=data_type,
data=data,
chain_name=model_chain_name,
seq=seq)
#TODO: order of arguments is inconsistent.
#TODO: template + alignment should be obligatory
#TODO: replace alignment by recipe
#TODO: rename to SingleTemplateModeling and/or refactor classes for tasks out.
self.template = template
if template:
self.template.set_template_numeration()
if alignment:
self.recipe = RecipeMaker(alignment).recipe
self.alignment = alignment
self.s = ModernaSuperimposer()
