public void TestCase010()
{
bool equal;
int retVal = Constants.Failure;
string errorMsg = string.Empty;
double expectedElementComposition;
string Formula = "Ba(OH)2", formulaSummary;
double expectedMolarMass = 171.38, actualMolarMass;
Dictionary <string, double> expectedComposition = new Dictionary <string, double>()
{
{ "H", 1.18 },
{ "O", 18.67 },
{ "Ba", 80.15 }
};
FormulaParser parser = new FormulaParser();
retVal = parser.SetFormula(Formula, out formulaSummary, out actualMolarMass);
Assert.AreEqual(Constants.Success, retVal);
equal = Math.Abs(expectedMolarMass - actualMolarMass) <= allowedDifference;
Assert.IsTrue(equal);
IDictionary <string, double> actualComposition = parser.ParseElements(out retVal);
Assert.AreEqual(Constants.Success, retVal);
Assert.AreEqual(expectedComposition.Count, actualComposition.Count);
foreach (KeyValuePair <string, double> kvp in actualComposition)
{
expectedElementComposition = expectedComposition[kvp.Key];
equal = Math.Abs(expectedElementComposition - kvp.Value) <= allowedDifference;
Assert.IsTrue(equal);
}
}
public void TestCase006()
{
bool equal;
int retVal = Constants.Failure;
string errorMsg = string.Empty;
double expectedElementComposition;
string Formula = "AlO8RbS2", formulaSummary;
double expectedMolarMass = 304.58, actualMolarMass;
Dictionary <string, double> expectedComposition = new Dictionary <string, double>()
{
{ "Al", 8.86 },
{ "O", 42.03 },
{ "S", 21.05 },
{ "Rb", 28.06 }
};
FormulaParser parser = new FormulaParser();
retVal = parser.SetFormula(Formula, out formulaSummary, out actualMolarMass);
Assert.AreEqual(Constants.Success, retVal);
equal = Math.Abs(expectedMolarMass - actualMolarMass) <= allowedDifference;
Assert.IsTrue(equal);
IDictionary <string, double> actualComposition = parser.ParseElements(out retVal);
Assert.AreEqual(Constants.Success, retVal);
Assert.AreEqual(expectedComposition.Count, actualComposition.Count);
foreach (KeyValuePair <string, double> kvp in actualComposition)
{
expectedElementComposition = expectedComposition[kvp.Key];
equal = Math.Abs(expectedElementComposition - kvp.Value) <= allowedDifference;
Assert.IsTrue(equal);
}
}
public void TestCase009()
{
bool equal;
int retVal = Constants.Failure;
string errorMsg = string.Empty;
double expectedElementComposition;
string Formula = "(C6H5CNN)2Hg", formulaSummary;
double expectedMolarMass = 434.87, actualMolarMass;
Dictionary <string, double> expectedComposition = new Dictionary <string, double>()
{
{ "C", 38.67 },
{ "H", 2.32 },
{ "Hg", 46.13 },
{ "N", 12.88 }
};
FormulaParser parser = new FormulaParser();
retVal = parser.SetFormula(Formula, out formulaSummary, out actualMolarMass);
Assert.AreEqual(Constants.Success, retVal);
equal = Math.Abs(expectedMolarMass - actualMolarMass) <= allowedDifference;
Assert.IsTrue(equal);
IDictionary <string, double> actualComposition = parser.ParseElements(out retVal);
Assert.AreEqual(Constants.Success, retVal);
Assert.AreEqual(expectedComposition.Count, actualComposition.Count);
foreach (KeyValuePair <string, double> kvp in actualComposition)
{
expectedElementComposition = expectedComposition[kvp.Key];
equal = Math.Abs(expectedElementComposition - kvp.Value) <= allowedDifference;
Assert.IsTrue(equal);
}
}
public int TryParseFormula(out string errorMsg)
{
string formulaSummary = string.Empty;;
int retVal = Constants.Success;
FormulaSummary = string.Empty;
errorMsg = string.Empty;
double molarMass = 0;
MolarMass = 0;
try
{
if (!Regex.IsMatch(formula, allowedElements,
RegexOptions.CultureInvariant | RegexOptions.Compiled | RegexOptions.Singleline))
{
retVal = Constants.Failure;
errorMsg = "Check formula, only elements and parentheses () allowed.";
}
if (retVal == Constants.Success)
{
retVal = parser.SetFormula(Formula, out formulaSummary, out molarMass);
if (retVal == Constants.Success)
{
MolarMass = molarMass;
FormulaSummary = formulaSummary;
}
else
{
errorMsg = parser.GetLastError();
}
}
}
catch (Exception ex)
{
retVal = Constants.Failure;
errorMsg = string.Format("An unexpected error occurred: {0}", ex.Message);
}
return(retVal);
}
public void TestCase002()
{
bool equal;
int retVal = Constants.Failure;
string errorMsg = string.Empty;
double expectedElementComposition;
string Formula = "C8H8ClNO3S", formulaSummary;
double expectedMolarMass = 233.68, actualMolarMass;
Dictionary <string, double> expectedComposition = new Dictionary <string, double>()
{
{ "C", 41.12 },
{ "H", 3.45 },
{ "Cl", 15.17 },
{ "N", 5.99 },
{ "O", 20.45 },
{ "S", 13.72 },
};
FormulaParser parser = new FormulaParser();
retVal = parser.SetFormula(Formula, out formulaSummary, out actualMolarMass);
Assert.AreEqual(Constants.Success, retVal);
equal = Math.Abs(expectedMolarMass - actualMolarMass) <= allowedDifference;
Assert.IsTrue(equal);
IDictionary <string, double> actualComposition = parser.ParseElements(out retVal);
Assert.AreEqual(Constants.Success, retVal);
Assert.AreEqual(expectedComposition.Count, actualComposition.Count);
foreach (KeyValuePair <string, double> kvp in actualComposition)
{
expectedElementComposition = expectedComposition[kvp.Key];
equal = Math.Abs(expectedElementComposition - kvp.Value) <= allowedDifference;
Assert.IsTrue(equal);
}
}
