diff --git a/mbuild/compound.py b/mbuild/compound.py index 2fe64ba94..da3a5f47e 100644 --- a/mbuild/compound.py +++ b/mbuild/compound.py @@ -815,6 +815,7 @@ def add( inherit_periodicity=None, inherit_box=False, reset_rigid_ids=True, + check_box_size=True, ): """Add a part to the Compound. @@ -843,6 +844,8 @@ def add( rigid_ids such that values remain distinct from rigid_ids already present in `self`. Can be set to False if attempting to add Compounds to an existing rigid body. + check_box_size : bool, optional, default=True + Checks and warns if compound box is smaller than its bounding box after adding new_child. """ # Support batch add via lists, tuples and sets. # If iterable, we will first compose all the bondgraphs of individual @@ -891,9 +894,14 @@ def add( child, label=label_list[i], reset_rigid_ids=reset_rigid_ids, + check_box_size=False, ) else: - self.add(child, reset_rigid_ids=reset_rigid_ids) + self.add( + child, + reset_rigid_ids=reset_rigid_ids, + check_box_size=False, + ) return @@ -995,7 +1003,7 @@ def add( ) # Check that bounding box is within box after adding compound - if self.box: + if self.box and check_box_size: if ( np.array(self.box.lengths) < np.array(self.get_boundingbox().lengths)