Testsuite

README.md

@@ -32,7 +32,7 @@ RAPTOR requires requires Python 3 (tested with Python 3.8+). The following Pytho
 ```
 
 *   **NumPy**: For numerical operations and array manipulation.
-    
+
 *   **Numba**: For JIT compilation and performance acceleration.
 *   **PyYAML**: For reading and parsing YAML configuration files
 *   **VTK**: For writing the output porosity map in `.vti` format

pyproject.toml

@@ -25,7 +25,8 @@ dependencies = [
     "numba",
     "PyYAML",
     "vtk",
-    "scikit-image"
+    "scikit-image",
+    "pytest"
 ]
 
 [project.scripts]

src/raptor/api.py

@@ -69,18 +69,18 @@ def compute_spectral_components(melt_pool_data: np.ndarray, n_modes: int) -> np.
     fft_resolution = np.fft.fft(melt_pool_data[:, 1])
     F = np.zeros_like(fft_resolution)
     n_fft = len(fft_resolution)
-
-    for i in range(1, n_modes):
-        F[i] = fft_resolution[i]
-        F[n_fft - i] = fft_resolution[n_fft - i]
-
-    frequencies = np.float64(1 / (dt * n_fft)) * np.arange(n_modes, dtype=np.float64)
-    phases = np.float64(np.angle(F[:n_modes]))
-    amplitudes = np.float64(np.abs(F[:n_modes]) / n_fft)
-
     if n_modes == 1:
         spectral_array = np.array([[mode0, 0, 0]])
     else:
+        for i in range(1, n_modes):
+            F[i] = fft_resolution[i]
+            F[n_fft - i] = fft_resolution[n_fft - i]
+
+        frequencies = np.float64(1 / (dt * n_fft)) * np.arange(
+            n_modes, dtype=np.float64
+        )
+        phases = np.float64(np.angle(F[:n_modes]))
+        amplitudes = np.float64(np.abs(F[:n_modes]) / n_fft)
         spectral_array = np.vstack(
             [
                 np.array([mode0, 0, 0]),
@@ -250,7 +250,7 @@ def compute_morphology(
     minsize = 2
     filtered_defects = remove_small_objects(labeled_defects, minsize)
 
-    return measure.regionproperties_table(
+    return measure.regionprops_table(
         filtered_defects, spacing=voxel_resolution, properties=morphology_fields
     )
 

src/raptor/structures.py

@@ -183,15 +183,32 @@ def __init__(
         bound_box: Optional[np.ndarray] = None,
         path_vectors: Optional[List[PathVector]] = None,
     ):
+        if voxel_resolution <= 0.0:
+            raise ValueError("Voxel resolution must be a positive non-zero value.")
         self.resolution = voxel_resolution
 
         if bound_box is not None:
             # Option 1: Grid is constructed from a user-defined bounding box.
+            if bound_box.shape != (2, 3):
+                raise ValueError(
+                    "Bounding box must be of shape (2, 3) "
+                    "representing [[x0, y0, z0], [x1, y1, z1]]."
+                )
+            if np.any(bound_box[1] <= bound_box[0]):
+                raise ValueError(
+                    "Invalid bounding box: "
+                    "Maximum corner must be greater than minimum corner."
+                )
             gx0, gy0, gz0 = bound_box[0]
             gx1, gy1, gz1 = bound_box[1]
 
         elif path_vectors is not None:
             # Option 2: Grid is constructed from boundaries of path vectors.
+            for pv in path_vectors:
+                if not isinstance(pv, PathVector):
+                    raise ValueError(
+                        "All elements in 'path_vectors' must be of type PathVector."
+                    )
             all_points = np.vstack(
                 [p.start_point for p in path_vectors]
                 + [p.end_point for p in path_vectors]

tests/__init__.py

@@ -0,0 +1,10 @@
+# =============================================================================
+# Copyright (c) 2025 Oak Ridge National Laboratory
+#
+# All rights reserved.
+#
+# This file is part of Raptor.
+#
+# For details, see the top-level LICENSE file at:
+# https://github.com/ORNL-MDF/Raptor/LICENSE
+# =============================================================================