public static string CalculateM(string formula)
{
double M = 0;
try
{
//Load the formula into ElementGroup object
ElementGroup molecule = new ElementGroup(formula, 1, true);
//Disassemble the formula in the ElementGroup object to single elements
Dictionary <string, int> elementsTable = molecule.CountElements();
//Add the molar masses of all the atoms together
M = AddMolarMasses(elementsTable);
}
catch (InvalidInputException e)
{
return(e.Message + "\nPlease, check the Help menu for rules about writing formulas.");
}
catch (Exception e)
{
return("An unexpected exception occured.\nThis shouldn't be happening.\nCan you please submit a bug report via the Feedback menu (accessible via the help button).\nPlease, don't forget to include the formula you entered in your report.\n\nException details: " + e.ToString());
//return "An exception occured.\nThis is most likely caused by invalid input.\nPlease, check the Help menu for rules about writing formulas and if this problem persist, submit a bug report via the Feedback menu.\nPlease, include the following informationg in your report. Thanks.\n\nAn exception occured while calculating molar mass of " + formula + ": " + e.ToString();
}
return("Molar mass of " + formula + ": " + M + " g/mol");
}
/**
* Method taking a whole formula, starting index and characters terminating end of element abbreviation or it's count
* Returns the first loaded element group as object and index, where in the formula it ended as out parameter
*/
private ElementGroup ReadElementGroup(string content, int startIndex, string contentTerminatingChars, string countTerminatingChars, out int endIndex)
{
int index = startIndex;
int bracketsLevel = 0;
string resultContent = "";
string resultCount = "";
do
{
resultContent += content[index];
if (content[index] == '(')
{
bracketsLevel++;
}
if (content[index] == ')')
{
bracketsLevel--;
}
index++;
} while (index < content.Length && (!contentTerminatingChars.Contains(content[index].ToString()) || (bracketsLevel > 0)));
//Checking for balanced brackets
if (bracketsLevel != 0)
{
throw new InvalidInputException("Unbalanced brackets.");
}
while (index < content.Length && (!countTerminatingChars.Contains(content[index].ToString())))
{
resultCount += content[index];
index++;
}
if (resultCount.Length == 0)
{
resultCount = "1";
}
try
{
int resultCountInt = Convert.ToInt32(resultCount);
}
catch (FormatException e)
{
throw new InvalidInputException("Count of element or element group " + resultContent + " contains a non-number character.");
}
bool containsGroup = false;
if (resultContent.Contains("("))
{
//Resulting object contains element group, not a single element
containsGroup = true;
}
endIndex = index;
ElementGroup result = new ElementGroup(resultContent, Convert.ToInt32(resultCount), containsGroup);
return(result);
}
