public void Stoichiometry_CreateConversionTable2()
{
ChemicalEquation.PTable = new PeriodicTable("..\\..\\..\\Chemistry-Solver\\data\\ElementData.csv");
var stoichiometry = new Stoichiometry();
var equation = new ChemicalEquation("1Al_(1) + 1Cl_(2) --> 1Al_(1)Cl_(3)");
equation.Balance();
var canceledUnit = $"{equation.Reactants[0].Item2}{equation.Reactants[0].Item1.ToString()} mass";
var remainingUnit = $"{equation.Products[0].Item2}{equation.Products[0].Item1.ToString()} moles";
stoichiometry.CreateConversionTable(equation);
stoichiometry.UnitConverter.InputValue = new ConversionValue(1d, new[] { canceledUnit }, null, equation.ToString());
stoichiometry.UnitConverter.ConversionRatio = stoichiometry.UnitConverter.ConversionTable.GetConversionValue(canceledUnit, remainingUnit);
var actual = stoichiometry.UnitConverter.PerformConversion();
canceledUnit = $"{equation.Reactants[1].Item2}{equation.Reactants[1].Item1.ToString()} mass";
stoichiometry.UnitConverter.InputValue = new ConversionValue(1d, new[] { canceledUnit }, null, equation.ToString());
stoichiometry.UnitConverter.ConversionRatio = stoichiometry.UnitConverter.ConversionTable.GetConversionValue(canceledUnit, remainingUnit);
var actual2 = stoichiometry.UnitConverter.PerformConversion();
}
public void Stoichiometry_BaselineCase_Pass(string file, string group, double intensity, double baseline, Boolean useful)
{
Intensity Testintensity = new Intensity(file, group, intensity);
Stoichiometry TestStoichiometry = new Stoichiometry(Testintensity, baseline);
Assert.AreEqual(Testintensity.IntensityVal / baseline, TestStoichiometry.StoichiometryVal);
Assert.AreEqual(useful, TestStoichiometry.usefulStoichiometry);
}
public void Stoichiometry_PeptidePeptideCase_Pass(string file, string group, double intensity1, double intensity2,
bool useful, double stoich)
{
Intensity Testintensity1 = new Intensity(file, group, intensity1);
Intensity Testintensity2 = new Intensity(file, group, intensity2);
Stoichiometry TestStoichiometry = new Stoichiometry(Testintensity1, Testintensity2);
Assert.That(TestStoichiometry.StoichiometryVal, Is.EqualTo(stoich).Within(0.001));
Assert.AreEqual(useful, TestStoichiometry.usefulStoichiometry);
}
/// <summary>
/// Clears equation information from the window, effectively resetting it back to default values.
/// </summary>
/// <param name="sender">The button that sent the event.</param>
/// <param name="e">The event's arguments.</param>
public void ClearEquationInputButtonClick(object sender, EventArgs e)
{
stoichiometry_ = new Stoichiometry();
model_.Equation.Reactants.Clear();
model_.Equation.Products.Clear();
tbox_equation_input.Clear();
tbox_input_amount.Clear();
tbox_output_amount.Clear();
cbox_input_molecule.Items.Clear();
cbox_output_molecule.Items.Clear();
}
public double GetStoichiometricFactor(MolecularComponent comp)
{
var pair = Stoichiometry.FirstOrDefault(s => s.Component == comp);
if (pair != null)
{
return(pair.StoichiometricFactor);
}
else
{
return(0);
}
}
public void Stoichiometry_CreateConversionTable()
{
ChemicalEquation.PTable = new PeriodicTable("..\\..\\..\\Chemistry-Solver\\data\\ElementData.csv");
var stoichiometry = new Stoichiometry();
var equation = new ChemicalEquation("1H_(2) + 1O_(2) --> 1H_(2)O_(1)");
equation.Balance();
var canceledUnit = $"{equation.Reactants[0].Item2}{equation.Reactants[0].Item1.ToString()} moles";
var remainingUnit = $"{equation.Reactants[1].Item2}{equation.Reactants[1].Item1.ToString()} moles";
stoichiometry.CreateConversionTable(equation);
stoichiometry.UnitConverter.InputValue = new ConversionValue(14d, new[] { canceledUnit }, null, equation.ToString());
stoichiometry.UnitConverter.ConversionRatio = stoichiometry.UnitConverter.ConversionTable.GetConversionValue(canceledUnit, remainingUnit);
var actual = stoichiometry.UnitConverter.PerformConversion();
var expected = new ConversionValue(7d, new[] { remainingUnit }, null, equation.ToString());
Assert.AreEqual(expected, actual);
}
