Improved tests

mlcolvar/tests/test_cvs_committor.py

@@ -1,6 +1,10 @@
 from mlcolvar.cvs.committor.committor import test_committor
+from mlcolvar.cvs.committor.utils import test_compute_committor_weights, test_Kolmogorov_bias
 from mlcolvar.core.loss.committor_loss import test_smart_derivatives
 
+
 if __name__ == "__main__":
     test_committor()
-    test_smart_derivatives()
+    test_Kolmogorov_bias()
+    test_smart_derivatives()
+    test_compute_committor_weights()

mlcolvar/tests/test_cvs_supervised_tda.py

@@ -1,4 +1,6 @@
 from mlcolvar.cvs.supervised.deeptda import test_deeptda_cv
+from mlcolvar.core.loss.tda_loss import test_tda_loss 
 
 if __name__ == "__main__":
     test_deeptda_cv()
+    test_tda_loss()

mlcolvar/tests/test_data_graph.py

@@ -0,0 +1,6 @@
+from mlcolvar.data.graph.atomic import test_atomic_number_table
+from mlcolvar.data.graph.neighborhood import test_get_neighborhood
+
+if __name__ == '__main__':
+    test_atomic_number_table()
+    test_get_neighborhood()