Add new conditions and tests (#614)

* add new conditions and tests

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

Author: lilyminium

openff/evaluator/_tests/test_protocols/test_groups.py

@@ -67,6 +67,41 @@ def test_conditional_protocol_group_fail():
             protocol_group.execute(directory, ComputeResources())
 
 
+@pytest.mark.parametrize(
+    "left, right, condition_type, outcome",
+    [
+        (1, 1, ConditionalGroup.Condition.Type.EqualTo, True),
+        (1, 1, ConditionalGroup.Condition.Type.GreaterThan, False),
+        (1, 1, ConditionalGroup.Condition.Type.GreaterThanOrEqualTo, True),
+        (1, 1, ConditionalGroup.Condition.Type.LessThan, False),
+        (1, 1, ConditionalGroup.Condition.Type.LessThanOrEqualTo, True),
+        (1, 2, ConditionalGroup.Condition.Type.EqualTo, False),
+        (1, 2, ConditionalGroup.Condition.Type.GreaterThan, False),
+        (1, 2, ConditionalGroup.Condition.Type.GreaterThanOrEqualTo, False),
+        (1, 2, ConditionalGroup.Condition.Type.LessThan, True),
+        (1, 2, ConditionalGroup.Condition.Type.LessThanOrEqualTo, True),
+        (2, 1, ConditionalGroup.Condition.Type.EqualTo, False),
+        (2, 1, ConditionalGroup.Condition.Type.GreaterThan, True),
+        (2, 1, ConditionalGroup.Condition.Type.GreaterThanOrEqualTo, True),
+        (2, 1, ConditionalGroup.Condition.Type.LessThan, False),
+        (2, 1, ConditionalGroup.Condition.Type.LessThanOrEqualTo, False),
+    ],
+)
+def test_evaluate_condition(left, right, condition_type, outcome):
+    """Tests that the conditions of a conditional group
+    are correctly evaluated."""
+
+    group = ConditionalGroup("conditional_group")
+
+    condition = ConditionalGroup.Condition()
+    condition.left_hand_value = left
+    condition.right_hand_value = right
+    condition.type = ConditionalGroup.Condition.Type(condition_type)
+
+    evaluated = group._evaluate_condition(condition)
+    assert evaluated == outcome
+
+
 def test_conditional_group_self_reference():
     """Tests that protocols within a conditional group
     can access the outputs of its parent, such as the

openff/evaluator/protocols/groups.py

@@ -46,6 +46,9 @@ class Type(Enum):
 
             LessThan = "lessthan"
             GreaterThan = "greaterthan"
+            EqualTo = "equalto"
+            LessThanOrEqualTo = "lessthanorequalto"
+            GreaterThanOrEqualTo = "greaterthanorequalto"
 
         left_hand_value = Attribute(
             docstring="The left-hand value to compare.",
@@ -148,6 +151,12 @@ def _evaluate_condition(self, condition):
             return left_hand_value < right_hand_value
         elif condition.type == self.Condition.Type.GreaterThan:
             return left_hand_value > right_hand_value
+        elif condition.type == self.Condition.Type.EqualTo:
+            return left_hand_value == right_hand_value
+        elif condition.type == self.Condition.Type.LessThanOrEqualTo:
+            return left_hand_value <= right_hand_value
+        elif condition.type == self.Condition.Type.GreaterThanOrEqualTo:
+            return left_hand_value >= right_hand_value
 
         raise NotImplementedError()