better error message for invalid inputs to angular_grid

Author: bast

CHANGES.rst

@@ -4,6 +4,14 @@ Changelog
 =========
 
 
+Version 2.X.Y
+-------------
+
+Unreleased.
+
+- Better error message for invalid inputs to angular_grid.
+
+
 Version 2.0.1
 -------------
 

src/lebedev.rs

@@ -8,7 +8,10 @@ pub fn angular_grid(num_points: usize) -> (Vec<(f64, f64, f64)>, Vec<f64>) {
 
     let offset: usize = match offsets.get(&num_points) {
         Some(v) => *v,
-        None => panic!("angular_grid called with unsupported num_points"),
+        None => panic!(
+            "angular_grid called with unsupported num_points, allowed are: {:?}",
+            valid_input_values()
+        ),
     };
 
     (
@@ -18,6 +21,15 @@ pub fn angular_grid(num_points: usize) -> (Vec<(f64, f64, f64)>, Vec<f64>) {
 }
 
 pub fn get_closest_num_angular(n: usize) -> usize {
+    for number in valid_input_values() {
+        if number >= n {
+            return number;
+        }
+    }
+    panic!("input n too high in get_closest_num_angular");
+}
+
+fn valid_input_values() -> Vec<usize> {
     let offsets = tables::offsets::offsets();
 
     let mut valid_numbers = Vec::new();
@@ -26,10 +38,5 @@ pub fn get_closest_num_angular(n: usize) -> usize {
     }
     valid_numbers.sort();
 
-    for number in valid_numbers {
-        if number >= n {
-            return number;
-        }
-    }
-    panic!("input n too high in get_closest_num_angular");
+    valid_numbers
 }