public static void mass_shifts_from_presets()
{
Regex findshift = new Regex(@"( by )(.+)");
Regex findshiftrelationtype = new Regex(@"(shift )(\S+)");
foreach (string mass_shift in loaded_actions.Where(x => x.StartsWith("shift ")))
{
string relationshiptype = findshiftrelationtype.Match(mass_shift).Groups[2].ToString();
ProteoformComparison?comparison = ExtensionMethods.EnumUntil.GetValues <ProteoformComparison>().FirstOrDefault(x => relationshiptype == x.ToString());
bool converted = Double.TryParse(findmass.Match(mass_shift).Groups[2].ToString(), out double mass);
if (comparison == null || !converted)
{
continue;
}
string shift = findshift.Match(mass_shift).Groups[2].ToString();
DeltaMassPeak peak = null;
if (comparison == ProteoformComparison.ExperimentalTheoretical)
{
peak = lollipop.et_peaks.FirstOrDefault(p => Math.Round(p.DeltaMass, 2) == Math.Round(mass, 2));
}
if (peak != null)
{
peak.mass_shifter = shift;
}
}
}
public static void update_peaks_from_presets(ProteoformComparison comparison_to_update)
{
Regex findacceptrelationtype = new Regex(@"(accept )(\S+)");
foreach (string peak_change in loaded_actions.Where(x => x.StartsWith("accept ") || x.StartsWith("unaccept ")))
{
string relationshiptype = findacceptrelationtype.Match(peak_change).Groups[2].ToString();
ProteoformComparison?comparison = ExtensionMethods.EnumUntil.GetValues <ProteoformComparison>().FirstOrDefault(x => relationshiptype == x.ToString());
bool converted = Double.TryParse(findmass.Match(peak_change).Groups[2].ToString(), out double mass);
if (comparison == null || comparison != comparison_to_update || !converted)
{
continue;
}
DeltaMassPeak peak = null;
if (comparison == ProteoformComparison.ExperimentalTheoretical)
{
peak = lollipop.et_peaks.FirstOrDefault(p => Math.Round(p.DeltaMass, 2) == Math.Round(mass, 2));
}
else if (comparison == ProteoformComparison.ExperimentalExperimental)
{
peak = lollipop.ee_peaks.FirstOrDefault(p => Math.Round(p.DeltaMass, 2) == Math.Round(mass, 2));
}
if (peak != null)
{
lollipop.change_peak_acceptance(peak, peak_change.StartsWith("accept "), true);
}
}
}
public static void shift_peak_action(DeltaMassPeak peak)
{
save_actions.Add("shift " + peak.RelationType.ToString() + " peak with delta-mass " + peak.DeltaMass.ToString() + " by " + peak.mass_shifter);
}