meeko/setup.py
def init_from_template(self, template):
        """ copy attributes to duplicate the template setup
        NOTE: the molecule will always keep the original setup (i.e., template)"""
        # TODO enable some kind of plugin system here too, to allow other objects to
        # add attributes?
        # TODO although, this would make the setup more fragile-> better have attributes
        # explicitely added here, and that's it
        for attr in self.attributes_to_copy:
            attr_copy = deepcopy(getattr(template, attr))
            setattr(self, attr, attr_copy)
        # TODO possible BUG? the molecule is shared by the different setups
        #      if one of them alters the molecule, properties will not be the same
        self.mol = template.mol
        self.smarts = template.smarts
 copy attributes to duplicate the template setup
        NOTE: the molecule will always keep the original setup (i.e., template)
copy attributes to duplicate the template setup
NOTE: the molecule will always keep the original setup
copy attributes to duplicate the template setup NOTE : the molecule will always keep the original setup
def init_from_template(self, template):
        for attr in self.attributes_to_copy:
            attr_copy = deepcopy(getattr(template, attr))
            setattr(self, attr, attr_copy)
        self.mol = template.mol
        self.smarts = template.smarts
def init_from_template ( self , template ) : for attr in self . attributes_to_copy : attr_copy = deepcopy ( getattr ( template , attr ) ) setattr ( self , attr , attr_copy ) self . mol = template . mol self . smarts = template . smarts
copy attributes to duplicate the template setup
NOTE: the molecule will always keep the original setup (i.e., template)
copy attributes to duplicate the template setup NOTE : the molecule will always keep the original setup ( i . e . template )
""" copy attributes to duplicate the template setup
        NOTE: the molecule will always keep the original setup (i.e., template)""" # TODO enable some kind of plugin system here too, to allow other objects to # add attributes? # TODO although, this would make the setup more fragile-> better have attributes # explicitely added here, and that's it # TODO possible BUG? the molecule is shared by the different setups #      if one of them alters the molecule, properties will not be the same
self
template