update: add norm to vectors + tests

Author: VsevolodX

src/py/mat3ra/code/vector.py

@@ -33,6 +33,10 @@ def __eq__(self, other):
             other = Vector3D(other)
         return np.allclose(self.root, other.root, atol=self.__atol__, rtol=0)
 
+    @property
+    def norm(self):
+        return np.linalg.norm(self.value)
+
 
 class RoundedVector3D(RoundNumericValuesMixin, Vector3D):
     def __init__(self, root: List[float]):
@@ -64,3 +68,7 @@ def __eq__(self, other):
             other = RoundedVector3D(other)
         atol = self.__atol__ or 10 ** (-self.__round_precision__)
         return np.allclose(self.value_rounded, other.value_rounded, atol=atol, rtol=0)
+
+    @property
+    def norm_rounded(self):
+        return self.round_array_or_number(self.norm)

tests/py/unit/test_vector.py

@@ -1,6 +1,10 @@
+import numpy as np
 from mat3ra.code.vector import RoundedVector3D, Vector3D
 
 VECTOR_FLOAT = [1.234567890, 2.345678901, 3.456789012]
+VECTOR_FLOAT_NORM = 4.3561172682906
+FLOAT_PRECISION = 1e-8
+
 VECTOR_FLOAT_DIFFERENT_WITHIN_TOL = [1.23456789999, 2.345678901, 3.456789012]
 VECTOR_FLOAT_DIFFERENT_OUTSIDE_TOL = [1.2345699999, 2.345678901, 3.456789012]
 VECTOR_FLOAT_ROUNDED_4 = [1.2346, 2.3457, 3.4568]
@@ -38,6 +42,28 @@ def test_vector_equality():
     assert vector != Vector3D(VECTOR_FLOAT_DIFFERENT_OUTSIDE_TOL)
 
 
+def test_vector_equality_with_list():
+    vector = Vector3D(VECTOR_FLOAT)
+    assert vector == VECTOR_FLOAT
+    assert vector == VECTOR_FLOAT_DIFFERENT_WITHIN_TOL
+    assert vector != VECTOR_FLOAT_DIFFERENT_OUTSIDE_TOL
+
+
+def test_vector_norm():
+    vector = Vector3D(VECTOR_FLOAT)
+    # Check if the norm is close to the expected value to avoid architecture-specific issues
+    np.isclose(vector.norm, VECTOR_FLOAT_NORM, atol=FLOAT_PRECISION, rtol=0)
+    assert vector.value == VECTOR_FLOAT
+    assert vector.x == 1.234567890
+    assert vector.y == 2.345678901
+    assert vector.z == 3.456789012
+
+
+#####################################################################
+##      RoundedVector3D tests
+#####################################################################
+
+
 def test_rounded_vector_init():
     vector = RoundedVector3D(VECTOR_FLOAT)
     assert vector.model_dump() == VECTOR_FLOAT
@@ -70,3 +96,19 @@ def test_rounded_vector_serialization():
     assert vector.x_rounded == VECTOR_FLOAT_ROUNDED_3[0]
     assert vector.y_rounded == VECTOR_FLOAT_ROUNDED_3[1]
     assert vector.z_rounded == VECTOR_FLOAT_ROUNDED_3[2]
+
+
+def test_rounded_vector_equality():
+    class_reference = RoundedVector3D
+    # Higher precision yields inequality
+    class_reference.__round_precision__ = 4
+    vector = class_reference(VECTOR_FLOAT)
+    assert vector == VECTOR_FLOAT
+    assert vector == VECTOR_FLOAT_ROUNDED_4
+    assert vector != VECTOR_FLOAT_ROUNDED_3
+    # Lower precision yields equality
+    class_reference.__round_precision__ = 3
+    vector = class_reference(VECTOR_FLOAT)
+    assert vector == VECTOR_FLOAT
+    assert vector == VECTOR_FLOAT_ROUNDED_4
+    assert vector == VECTOR_FLOAT_ROUNDED_3