/// <summary>
/// Returns the number of StaticMod values in the dictionary that are equivalent to modToMatch.
/// </summary>
/// <param name="dict">Dictionary containing StaticMod values.</param>
/// <param name="modToMatch">StaticMod we're comparing to values in dictionary.</param>
/// <param name="equivMods">Dictionary we add count for StaticMods equivalent to modToMatch.</param>
/// <param name="index">Index of modToMatch in dict.</param>
/// <returns>Number of StaticMods equivalent to modToMatch. If there are no equivalent values, function will return 1.</returns>
public int CountEquivalent(KeyValuePair <string, StaticMod>[] dict, StaticMod modToMatch, SortedDictionary <string, int> equivMods, int index)
{
int totalCount = 0;
for (int i = 0; i < dict.Length; i++)
{
int count = 0;
StaticMod mod = dict[i].Value;
if (index != -1 && index == i)
{
Assert.IsTrue(mod.Equivalent(modToMatch));
}
if (mod.Equivalent(modToMatch))
{
count++;
}
if (!equivMods.ContainsKey(mod.Name))
{
equivMods.Add(mod.Name, count);
}
else
{
equivMods[mod.Name] += count;
}
totalCount += count;
}
return(totalCount);
}
public static bool ValidateID(StaticMod mod)
{
if (INITIALIZING || !mod.UnimodId.HasValue)
{
return(true);
}
var idKey = new UniModIdKey
{
Aa = mod.AAs == null ? 'A' : mod.AminoAcids.First(), // Not L10N
AllAas = mod.AAs == null,
Id = mod.UnimodId.Value,
Terminus = mod.Terminus
};
StaticMod unimod;
return(DictUniModIds.TryGetValue(idKey, out unimod) &&
Equals(mod.Name, unimod.Name) &&
mod.Equivalent(unimod));
}
public void OkDialog()
{
var helper = new MessageBoxHelper(this);
string name;
if (!helper.ValidateNameTextBox(_editing ? (Control)textName : comboMod, out name))
{
return;
}
// Allow updating the original modification
if (!_editing || !Equals(name, Modification.Name))
{
if (!ModNameAvailable(name))
{
helper.ShowTextBoxError(_editing ? (Control)textName : comboMod,
Resources.EditStaticModDlg_OkDialog_The_modification__0__already_exists, name);
return;
}
}
string aas = comboAA.Text;
if (string.IsNullOrEmpty(aas))
{
aas = null;
}
else
{
// Use the cleanest possible format.
var sb = new StringBuilder();
foreach (string aaPart in aas.Split(SEPARATOR_AA))
{
string aa = aaPart.Trim();
if (aa.Length == 0)
{
continue;
}
if (sb.Length > 0)
{
sb.Append(", "); // Not L10N
}
sb.Append(aa);
}
}
string termString = comboTerm.SelectedItem.ToString();
ModTerminus?term = null;
if (!string.IsNullOrEmpty(termString))
{
term = (ModTerminus)Enum.Parse(typeof(ModTerminus), termString);
}
if (cbVariableMod.Checked && aas == null && term == null)
{
MessageDlg.Show(this, Resources.EditStaticModDlg_OkDialog_Variable_modifications_must_specify_amino_acid_or_terminus);
comboAA.Focus();
return;
}
string formula = null;
double? monoMass = null;
double? avgMass = null;
LabelAtoms labelAtoms = LabelAtoms.None;
if (cbChemicalFormula.Checked)
{
formula = Formula;
}
else
{
labelAtoms = LabelAtoms;
}
// Get the losses to know whether any exist below
IList <FragmentLoss> losses = null;
if (listNeutralLosses.Items.Count > 0)
{
losses = Losses.ToArray();
}
if (!string.IsNullOrEmpty(formula))
{
try
{
SequenceMassCalc.FormulaMass(BioMassCalc.MONOISOTOPIC, formula, SequenceMassCalc.MassPrecision);
}
catch (ArgumentException x)
{
_formulaBox.ShowTextBoxErrorFormula(helper, x.Message);
return;
}
}
else if (labelAtoms == LabelAtoms.None)
{
formula = null;
// Allow formula and both masses to be empty, if losses are present
if (NotZero(_formulaBox.MonoMass) || NotZero(_formulaBox.AverageMass) || losses == null)
{
// TODO: Maximum and minimum masses should be formalized and applied everywhere
double mass;
if (!_formulaBox.ValidateMonoText(helper, -1500, 5000, out mass))
{
return;
}
monoMass = mass;
if (!_formulaBox.ValidateAverageText(helper, -1500, 5000, out mass))
{
return;
}
avgMass = mass;
}
// Loss-only modifications may not be variable
else if (cbVariableMod.Checked)
{
MessageDlg.Show(this, Resources.EditStaticModDlg_OkDialog_The_variable_checkbox_only_applies_to_precursor_modification_Product_ion_losses_are_inherently_variable);
cbVariableMod.Focus();
return;
}
}
else if (aas == null && term.HasValue)
{
MessageDlg.Show(this, Resources.EditStaticModDlg_OkDialog_Labeled_atoms_on_terminal_modification_are_not_valid);
return;
}
RelativeRT relativeRT = RelativeRT.Matching;
if (comboRelativeRT.Visible && comboRelativeRT.SelectedItem != null)
{
relativeRT = RelativeRTExtension.GetEnum(comboRelativeRT.SelectedItem.ToString());
}
// Store state of the chemical formula checkbox for next use.
if (cbChemicalFormula.Visible)
{
Settings.Default.ShowHeavyFormula = _formulaBox.FormulaVisible;
}
var newMod = new StaticMod(name,
aas,
term,
cbVariableMod.Checked,
formula,
labelAtoms,
relativeRT,
monoMass,
avgMass,
losses);
foreach (StaticMod mod in _existing)
{
if (newMod.Equivalent(mod) && !(_editing && mod.Equals(_originalModification)))
{
if (DialogResult.OK == MultiButtonMsgDlg.Show(
this,
TextUtil.LineSeparate(Resources.EditStaticModDlg_OkDialog_There_is_an_existing_modification_with_the_same_settings,
string.Format("'{0}'.", mod.Name), // Not L10N
string.Empty,
Resources.EditStaticModDlg_OkDialog_Continue),
MultiButtonMsgDlg.BUTTON_OK))
{
Modification = newMod;
DialogResult = DialogResult.OK;
}
return;
}
}
var uniMod = UniMod.GetModification(name, IsStructural);
// If the modification name is not found in Unimod, check if there exists a modification in Unimod that matches
// the dialog modification, and prompt the user to to use the Unimod modification instead.
if (uniMod == null)
{
var matchingMod = UniMod.FindMatchingStaticMod(newMod, IsStructural);
if (matchingMod != null &&
(ModNameAvailable(matchingMod.Name) ||
(_editing && Equals(matchingMod.Name, Modification.Name))))
{
var result = MultiButtonMsgDlg.Show(
this,
TextUtil.LineSeparate(Resources.EditStaticModDlg_OkDialog_There_is_a_Unimod_modification_with_the_same_settings,
string.Empty,
string.Format(Resources.EditStaticModDlg_OkDialog_Click__Unimod__to_use_the_name___0___, matchingMod.Name),
string.Format(Resources.EditStaticModDlg_OkDialog_Click__Custom__to_use_the_name___0___, name)),
Resources.EditStaticModDlg_OkDialog_Unimod,
Resources.EditStaticModDlg_OkDialog_Custom,
true);
if (result == DialogResult.Yes)
{
newMod = matchingMod.MatchVariableAndLossInclusion(newMod); // Unimod
}
if (result == DialogResult.Cancel)
{
return;
}
}
}
else
{
// If the dialog modification matches the modification of the same name in Unimod,
// use the UnimodId.
if (newMod.Equivalent(uniMod))
{
newMod = uniMod.MatchVariableAndLossInclusion(newMod);
}
else
{
// Finally, if the modification name is found in Unimod, but the modification in Unimod does not
// match the dialog modification, prompt the user to use the Unimod modification definition instead.
if (DialogResult.OK != MultiButtonMsgDlg.Show(
this,
TextUtil.LineSeparate(string.Format(Resources.EditStaticModDlg_OkDialog_This_modification_does_not_match_the_Unimod_specifications_for___0___, name),
string.Empty,
Resources.EditStaticModDlg_OkDialog_Use_non_standard_settings_for_this_name),
MultiButtonMsgDlg.BUTTON_OK))
{
return;
}
}
}
_modification = newMod;
DialogResult = DialogResult.OK;
}