/// <summary>
/// This function will update the calculator to the one given, or to the one with the best score for the document
/// peptides. It will then return the peptides chosen by that calculator for regression.
/// Todo: split this function into one that chooses and returns the calculator and one that returns the peptides
/// todo: chosen by that calculator
/// </summary>
private IList <MeasuredRetentionTime> UpdateCalculator(RetentionScoreCalculatorSpec calculator, IList <MeasuredRetentionTime> activePeptides = null)
{
bool calcInitiallyNull = calculator == null;
activePeptides = activePeptides ?? GetTablePeptides();
if (activePeptides.Count == 0)
{
return(null);
}
//Try connecting all the calculators
Settings.Default.RTScoreCalculatorList.Initialize(null);
if (calculator == null)
{
//this will not update the calculator
calculator = RecalcRegression(activePeptides);
if (calculator == null)
{
return(null);
}
}
else
{
var calcSettings = Settings.Default.GetCalculatorByName(calculator.Name);
if (calcSettings != null)
{
calculator = calcSettings;
}
if (!calculator.IsUsable)
{
MessageDlg.Show(this,
Resources.
EditRTDlg_UpdateCalculator_The_calculator_cannot_be_used_to_score_peptides_Please_check_its_settings);
return(activePeptides);
}
RecalcRegression(calculator, activePeptides);
}
int minCount;
var usePeptides = new HashSet <Target>(calculator.ChooseRegressionPeptides(
activePeptides.Select(pep => pep.PeptideSequence), out minCount));
//now go back and get the MeasuredPeptides corresponding to the strings chosen by the calculator
var tablePeptides = activePeptides.Where(measuredRT =>
usePeptides.Contains(measuredRT.PeptideSequence)).ToList();
if (tablePeptides.Count == 0 && activePeptides.Count != 0)
{
MessageDlg.Show(this,
String.Format(
Resources.
EditRTDlg_UpdateCalculator_The__0__calculator_cannot_score_any_of_the_peptides,
calculator.Name));
comboCalculator.SelectedIndex = 0;
return(null);
}
//This "if" is to keep from getting into infinite loops
if (calcInitiallyNull)
{
comboCalculator.SelectedItem = calculator.Name;
}
return(tablePeptides);
}
