diff --git a/gmso/abc/abstract_site.py b/gmso/abc/abstract_site.py index 399a2b6dc..fec774afb 100644 --- a/gmso/abc/abstract_site.py +++ b/gmso/abc/abstract_site.py @@ -24,7 +24,7 @@ class Molecule(GMSOBase): def __repr__(self): return ( - f"Molecule(name={self.name}, residue={self.residue}, isrigid={self.isrigid}" + f"Molecule(name={self.name}, number={self.number}, isrigid={self.isrigid})" ) __iterable_attributes__: ClassVar[set] = { @@ -88,7 +88,7 @@ def __eq__(self, other): class Residue(GMSOBase): def __repr__(self): - return f"Residue(name={self.name}, residue={self.residue}" + return f"Residue(name={self.name}, number={self.number}" __iterable_attributes__: ClassVar[set] = { "name", @@ -149,6 +149,17 @@ def default_position(): class Site(GMSOBase): + def __repr__(self): + """Return the formatted representation of the site.""" + return ( + f"<{self.__class__.__name__} {self.name},\n " + f"position: {self.position},\n " + f"label: {self.label if self.label else None},\n " + f"Molecule: {self.molecule},\n" + f"Residue: {self.residue},\n" + f"id: {id(self)}>" + ) + __iterable_attributes__: ClassVar[set] = { "name", "label", @@ -254,15 +265,6 @@ def residue(self): def serialize_position(self, position_: PositionType): return unyt_to_dict(position_) - def __repr__(self): - """Return the formatted representation of the site.""" - return ( - f"<{self.__class__.__name__} {self.name},\n " - f"position: {self.position},\n " - f"label: {self.label if self.label else None},\n " - f"id: {id(self)}>" - ) - def __str__(self): """Return the string representation of the site.""" return ( diff --git a/gmso/tests/abc/test_abc.py b/gmso/tests/abc/test_abc.py new file mode 100644 index 000000000..0be1a50d6 --- /dev/null +++ b/gmso/tests/abc/test_abc.py @@ -0,0 +1,21 @@ +import pytest + +from gmso.abc.abstract_site import Molecule, Residue, Site +from gmso.tests.base_test import BaseTest + + +class TestSite(BaseTest): + def test_molecule(self): + molecule = Molecule() + molecule.__repr__() + assert molecule.number == 0 + assert molecule.isrigid is False + + def test_residue(self): + residue = Residue() + residue.__repr__() + assert residue.number == 0 + + def test_site(self): + with pytest.raises(TypeError): + Site()