Avoid killed kernel with badly defined analytic functions

Author: bjorgve

docs/index.rst

@@ -25,6 +25,7 @@ Check out the :doc:`usage` section for further information, including how to :re
    notebooks/poisson_equation
    notebooks/helmholtz_equation
    notebooks/hydrogen_atom
+   notebooks/helium_atom
    notebooks/multiwavelets
    notebooks/PCMSolvent
 

src/vampyr/tests/test_projector1d.py

@@ -0,0 +1,17 @@
+import pytest
+
+from vampyr import vampyr1d as vp
+
+def test_ScalingProjector():
+    def f(x):
+        return x
+
+    mra = vp.MultiResolutionAnalysis(box=[0, 1], order=7)
+    P_scaling = vp.ScalingProjector(mra, 2)
+    P_wavelet = vp.WaveletProjector(mra, 2)
+
+    with pytest.raises(Exception):
+        P_scaling(f)
+
+    with pytest.raises(Exception):
+        P_wavelet(f)

src/vampyr/tests/test_projector3d.py

@@ -0,0 +1,17 @@
+import pytest
+
+from vampyr import vampyr3d as vp
+
+def test_ScalingProjector():
+    def f(x):
+        return x
+
+    mra = vp.MultiResolutionAnalysis(box=[0, 1], order=7)
+    P_scaling = vp.ScalingProjector(mra, 2)
+    P_wavelet = vp.WaveletProjector(mra, 2)
+
+    with pytest.raises(Exception):
+        P_scaling(f)
+
+    with pytest.raises(Exception):
+        P_wavelet(f)

src/vampyr/treebuilders/project.h

@@ -1,7 +1,8 @@
 #pragma once
 
-#include <pybind11/functional.h>
+#include <typeinfo>
 
+#include <pybind11/functional.h>
 #include "PyProjectors.h"
 
 namespace vampyr {
@@ -18,6 +19,15 @@ template <int D> void project(pybind11::module &m) {
         .def(
             "__call__",
             [](PyScalingProjector<D> &P, std::function<double(const Coord<D> &r)> func) {
+
+                try {
+                    auto arr = std::array<double, D>();
+                    arr.fill(111111.111); // A number which hopefully does not divide by zero
+                    func(arr);
+                } catch (py::cast_error &e) {
+                    py::print("Error: Invalid definition of analytic function");
+                    throw;
+                }
                 auto old_threads = mrcpp_get_num_threads();
                 set_max_threads(1);
                 auto out = P(func);
@@ -33,6 +43,16 @@ template <int D> void project(pybind11::module &m) {
         .def(
             "__call__",
             [](PyWaveletProjector<D> &P, std::function<double(const Coord<D> &r)> func) {
+
+                try {
+                    auto arr = std::array<double, D>();
+                    arr.fill(111111.111); // A number which hopefully does not divide by zero
+                    func(arr);
+                } catch (py::cast_error &e) {
+                    py::print("Error: Invalid definition of analytic function");
+                    throw;
+                }
+
                 auto old_threads = mrcpp_get_num_threads();
                 set_max_threads(1);
                 auto out = P(func);