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()