Changes in src/unittests/FormulaUnittest.cpp [3d27e6:997b2a]

File:

• src/unittests/FormulaUnittest.cpp (modified) (2 diffs)

src/unittests/FormulaUnittest.cpp

@@ -185 +185 @@
   }
   {
+    Formula formula("CH2(COOH)2");
+    CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)4);
+    CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)4);
+    CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)3);
+    CPPUNIT_ASSERT_EQUAL(formula["Na"],(unsigned int)0);
+    CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
+  }
+  {
+    Formula formula("K4[Fe(CN)6]");
+    CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)0);
+    CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)0);
+    CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)6);
+    CPPUNIT_ASSERT_EQUAL(formula["Na"],(unsigned int)0);
+    CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
+    CPPUNIT_ASSERT_EQUAL(formula["K"],(unsigned int)4);
+    CPPUNIT_ASSERT_EQUAL(formula["Fe"],(unsigned int)1);
+    CPPUNIT_ASSERT_EQUAL(formula["N"],(unsigned int)6);
+  }
+  {
+    Formula formula("[CrCl3(H2O)3]");
+    CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)6);
+    CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)3);
+    CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)0);
+    CPPUNIT_ASSERT_EQUAL(formula["Na"],(unsigned int)0);
+    CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
+    CPPUNIT_ASSERT_EQUAL(formula["Cr"],(unsigned int)1);
+    CPPUNIT_ASSERT_EQUAL(formula["Cl"],(unsigned int)3);
+  }
+  {
+    Formula formula("Mg3[Fe(CN)6]2");
+    CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)0);
+    CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)0);
+    CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)12);
+    CPPUNIT_ASSERT_EQUAL(formula["Na"],(unsigned int)0);
+    CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
+    CPPUNIT_ASSERT_EQUAL(formula["Mg"],(unsigned int)3);
+    CPPUNIT_ASSERT_EQUAL(formula["Fe"],(unsigned int)2);
+    CPPUNIT_ASSERT_EQUAL(formula["N"],(unsigned int)12);
+  }
+  {
+    Formula formula("Na[Fe((HO2CCH2)2NCH2CH2N(CH2CO2H)2)]");
+    CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)16);
+    CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)8);
+    CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)10);
+    CPPUNIT_ASSERT_EQUAL(formula["Na"],(unsigned int)1);
+    CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
+    CPPUNIT_ASSERT_EQUAL(formula["Mg"],(unsigned int)0);
+    CPPUNIT_ASSERT_EQUAL(formula["Fe"],(unsigned int)1);
+    CPPUNIT_ASSERT_EQUAL(formula["N"],(unsigned int)2);
+  }
+  {
     CPPUNIT_ASSERT_THROW(Formula formula("74107"),ParseError);
     CPPUNIT_ASSERT_THROW(Formula formula("  "),ParseError);
@@ -192 +243 @@
     CPPUNIT_ASSERT_THROW(Formula formula("1NaCl"),ParseError);
     CPPUNIT_ASSERT_THROW(Formula formula("Mag"),ParseError);
+    CPPUNIT_ASSERT_THROW(Formula formula("AgCl)"),ParseError);
+    CPPUNIT_ASSERT_THROW(Formula formula("(Na"),ParseError);
+    CPPUNIT_ASSERT_THROW(Formula formula("(Mag)"),ParseError);
+    CPPUNIT_ASSERT_THROW(Formula formula("MgCl2)"),ParseError);
+    CPPUNIT_ASSERT_THROW(Formula formula("((MgCl2)"),ParseError);
+    CPPUNIT_ASSERT_THROW(Formula formula("(MgCl2))"),ParseError);
+    CPPUNIT_ASSERT_THROW(Formula formula("(MgCl2]"),ParseError);
+    CPPUNIT_ASSERT_THROW(Formula formula("[MgCl2)"),ParseError);
+    CPPUNIT_ASSERT_THROW(Formula formula("N(aCl"),ParseError);
+    CPPUNIT_ASSERT_THROW(Formula formula("Na()Cl"),ParseError);
   }