Merge pull request #1042 from egonw/missing/ElementsTest

Added a missing test class for Elements

base/test-core/src/test/java/org/openscience/cdk/config/ElementsTest.java

@@ -0,0 +1,57 @@
+/* Copyright (C) 2024  Egon Willighagen <egonw@users.sf.net>
+ *
+ * Contact: cdk-devel@lists.sourceforge.net
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
+ * All we ask is that proper credit is given for our work, which includes
+ * - but is not limited to - adding the above copyright notice to the beginning
+ * of your source code files, and to any copyright notice that you may distribute
+ * with programs based on this work.
+ *
+ * This program is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU Lesser General Public License for more details.
+ *
+ * You should have received a copy of the GNU Lesser General Public License
+ * along with this program; if not, write to the Free Software
+ * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
+ */
+package org.openscience.cdk.config;
+
+import org.junit.jupiter.api.Assertions;
+import org.junit.jupiter.api.Test;
+import org.openscience.cdk.Atom;
+
+/**
+ * @cdk.module test-core
+ */
+class ElementsTest {
+
+    @Test
+    public void testIsMetal_int() {
+    	Assertions.assertFalse(Elements.isMetal((int)Elements.CARBON.getAtomicNumber()));
+    	Assertions.assertTrue(Elements.isMetal((int)Elements.IRON.getAtomicNumber()));
+    }
+
+    @Test
+    public void testIsMetal_IAtom() {
+    	Assertions.assertFalse(Elements.isMetal(new Atom(Elements.CARBON)));
+    	Assertions.assertTrue(Elements.isMetal(new Atom(Elements.IRON)));
+    }
+
+    @Test
+    public void testIsMetal_int_negativeValues() {
+    	// negative atomic numbers are by implementation 'metal'
+    	Assertions.assertTrue(Elements.isMetal(-12));
+    }
+
+    @Test
+    public void testElectronegativity() {
+    	Assertions.assertTrue(Math.abs(2.55 - Elements.Carbon.electronegativity().doubleValue()) < 0.01);
+    }
+
+}