Пример #1
0
        public void OkDialog()
        {
            var helper = new MessageBoxHelper(this);

            string name;

            if (!helper.ValidateNameTextBox(textName, out name))
            {
                return;
            }

            if (_existing.Contains(r => !ReferenceEquals(_regression, r) && Equals(name, r.Name)))
            {
                helper.ShowTextBoxError(textName, Resources.EditDPDlg_OkDialog_The_declustering_potential_regression__0__already_exists, name);
                return;
            }

            double slope;

            if (!helper.ValidateDecimalTextBox(textSlope, out slope))
            {
                return;
            }

            double intercept;

            if (!helper.ValidateDecimalTextBox(textIntercept, out intercept))
            {
                return;
            }

            double stepSize;

            if (!helper.ValidateDecimalTextBox(textStepSize,
                                               DeclusteringPotentialRegression.MIN_STEP_SIZE,
                                               DeclusteringPotentialRegression.MAX_STEP_SIZE,
                                               out stepSize))
            {
                return;
            }

            int stepCount;

            if (!helper.ValidateNumberTextBox(textStepCount,
                                              OptimizableRegression.MIN_OPT_STEP_COUNT,
                                              OptimizableRegression.MAX_OPT_STEP_COUNT,
                                              out stepCount))
            {
                return;
            }

            _regression = new DeclusteringPotentialRegression(name, slope, intercept, stepSize, stepCount);

            DialogResult = DialogResult.OK;
            Close();
        }
Пример #2
0
 public void CalcDeclusteringPotential(DeclusteringPotentialRegression regression)
 {
     if (regression == null)
     {
         DeclusteringPotential = null;
     }
     else
     {
         DeclusteringPotential = regression.GetY(MZ);
     }
 }
Пример #3
0
 public void CalcDeclusteringPotential(DeclusteringPotentialRegression regression)
 {
     if (regression == null)
         DeclusteringPotential = null;
     else
         DeclusteringPotential = regression.GetY(MZ);
 }
Пример #4
0
        public void OkDialog()
        {
            var helper = new MessageBoxHelper(this);

            // Validate and store prediction settings
            string   massType          = comboPrecursorMass.SelectedItem.ToString();
            MassType precursorMassType = MassTypeExtension.GetEnum(massType);

            massType = comboIonMass.SelectedItem.ToString();
            MassType fragmentMassType = MassTypeExtension.GetEnum(massType);
            string   nameCE           = comboCollisionEnergy.SelectedItem.ToString();
            CollisionEnergyRegression collisionEnergy =
                Settings.Default.GetCollisionEnergyByName(nameCE);
            string nameDP = comboDeclusterPotential.SelectedItem.ToString();
            DeclusteringPotentialRegression declusteringPotential =
                Settings.Default.GetDeclusterPotentialByName(nameDP);
            string nameCoV = comboCompensationVoltage.SelectedItem.ToString();
            CompensationVoltageParameters compensationVoltage =
                Settings.Default.GetCompensationVoltageByName(nameCoV);
            string nameOptLib = comboOptimizationLibrary.SelectedItem.ToString();
            OptimizationLibrary optimizationLibrary =
                Settings.Default.GetOptimizationLibraryByName(nameOptLib);
            OptimizedMethodType optimizedMethodType = OptimizedMethodType.None;

            if (cbUseOptimized.Checked)
            {
                optimizedMethodType = OptimizedMethodTypeExtension.GetEnum(comboOptimizeType.SelectedItem.ToString());
            }
            TransitionPrediction prediction = new TransitionPrediction(precursorMassType,
                                                                       fragmentMassType, collisionEnergy,
                                                                       declusteringPotential,
                                                                       compensationVoltage,
                                                                       optimizationLibrary,
                                                                       optimizedMethodType);

            Helpers.AssignIfEquals(ref prediction, Prediction);

            // Validate and store filter settings
            int[] precursorCharges;
            int   min = TransitionGroup.MIN_PRECURSOR_CHARGE;
            int   max = TransitionGroup.MAX_PRECURSOR_CHARGE;

            if (!helper.ValidateNumberListTextBox(tabControl1, (int)TABS.Filter, textPrecursorCharges,
                                                  min, max, out precursorCharges))
            {
                return;
            }
            precursorCharges = precursorCharges.Distinct().ToArray();

            int[] productCharges;
            min = Transition.MIN_PRODUCT_CHARGE;
            max = Transition.MAX_PRODUCT_CHARGE;
            if (!helper.ValidateNumberListTextBox(tabControl1, (int)TABS.Filter, textIonCharges,
                                                  min, max, out productCharges))
            {
                return;
            }
            productCharges = productCharges.Distinct().ToArray();

            IonType[] types = TransitionFilter.ParseTypes(textIonTypes.Text, new IonType[0]);
            if (types.Length == 0)
            {
                helper.ShowTextBoxError(tabControl1, (int)TABS.Filter, textIonTypes,
                                        Resources.TransitionSettingsUI_OkDialog_Ion_types_must_contain_a_comma_separated_list_of_ion_types_a_b_c_x_y_z_and_p_for_precursor);
                return;
            }
            types = types.Distinct().ToArray();

            double exclusionWindow = 0;

            if (!string.IsNullOrEmpty(textExclusionWindow.Text) &&
                !Equals(textExclusionWindow.Text, exclusionWindow.ToString(LocalizationHelper.CurrentCulture)))
            {
                if (!helper.ValidateDecimalTextBox(tabControl1, (int)TABS.Filter, textExclusionWindow,
                                                   TransitionFilter.MIN_EXCLUSION_WINDOW, TransitionFilter.MAX_EXCLUSION_WINDOW, out exclusionWindow))
                {
                    return;
                }
            }

            string fragmentRangeFirst = TransitionFilter.GetStartFragmentNameFromLabel(comboRangeFrom.SelectedItem.ToString());
            string fragmentRangeLast  = TransitionFilter.GetEndFragmentNameFromLabel(comboRangeTo.SelectedItem.ToString());

            var  measuredIons          = _driverIons.Chosen;
            bool autoSelect            = cbAutoSelect.Checked;
            bool exclusionUseDIAWindow = FullScanSettingsControl.IsDIA() && cbExclusionUseDIAWindow.Checked;
            var  filter = new TransitionFilter(precursorCharges, productCharges, types,
                                               fragmentRangeFirst, fragmentRangeLast, measuredIons,
                                               exclusionWindow, exclusionUseDIAWindow, autoSelect);

            Helpers.AssignIfEquals(ref filter, Filter);

            // Validate and store library settings
            TransitionLibraryPick pick = TransitionLibraryPick.none;

            if (cbLibraryPick.Checked)
            {
                if (radioAll.Checked)
                {
                    pick = TransitionLibraryPick.all;
                }
                else if (radioAllAndFiltered.Checked)
                {
                    pick = TransitionLibraryPick.all_plus;
                }
                else
                {
                    pick = TransitionLibraryPick.filter;
                }
            }

            double ionMatchTolerance;

            double minTol = TransitionLibraries.MIN_MATCH_TOLERANCE;
            double maxTol = TransitionLibraries.MAX_MATCH_TOLERANCE;

            if (!helper.ValidateDecimalTextBox(tabControl1, (int)TABS.Library, textTolerance,
                                               minTol, maxTol, out ionMatchTolerance))
            {
                return;
            }

            int ionCount = Libraries.IonCount;

            if (pick != TransitionLibraryPick.none)
            {
                min = TransitionLibraries.MIN_ION_COUNT;
                max = TransitionLibraries.MAX_ION_COUNT;
                if (!helper.ValidateNumberTextBox(tabControl1, (int)TABS.Library, textIonCount,
                                                  min, max, out ionCount))
                {
                    return;
                }
            }

            TransitionLibraries libraries = new TransitionLibraries(ionMatchTolerance, ionCount, pick);

            Helpers.AssignIfEquals(ref libraries, Libraries);

            // This dialog does not yet change integration settings
            TransitionIntegration integration = _transitionSettings.Integration;

            // Validate and store instrument settings
            int minMz;

            min = TransitionInstrument.MIN_MEASUREABLE_MZ;
            max = TransitionInstrument.MAX_MEASURABLE_MZ - TransitionInstrument.MIN_MZ_RANGE;
            if (!helper.ValidateNumberTextBox(tabControl1, (int)TABS.Instrument, textMinMz, min, max, out minMz))
            {
                return;
            }
            int maxMz;

            min = minMz + TransitionInstrument.MIN_MZ_RANGE;
            max = TransitionInstrument.MAX_MEASURABLE_MZ;
            if (!helper.ValidateNumberTextBox(tabControl1, (int)TABS.Instrument, textMaxMz, min, max, out maxMz))
            {
                return;
            }
            bool   isDynamicMin = cbDynamicMinimum.Checked;
            double mzMatchTolerance;

            minTol = TransitionInstrument.MIN_MZ_MATCH_TOLERANCE;
            maxTol = TransitionInstrument.MAX_MZ_MATCH_TOLERANCE;
            if (!helper.ValidateDecimalTextBox(tabControl1, (int)TABS.Instrument, textMzMatchTolerance,
                                               minTol, maxTol, out mzMatchTolerance))
            {
                return;
            }
            int?maxTrans = null;

            if (!string.IsNullOrEmpty(textMaxTrans.Text))
            {
                int maxTransTemp;
                min = TransitionInstrument.MIN_TRANSITION_MAX;
                max = TransitionInstrument.MAX_TRANSITION_MAX;
                if (!helper.ValidateNumberTextBox(tabControl1, (int)TABS.Instrument, textMaxTrans,
                                                  min, max, out maxTransTemp))
                {
                    return;
                }
                maxTrans = maxTransTemp;
            }
            int?maxInclusions = null;

            if (!string.IsNullOrEmpty(textMaxInclusions.Text))
            {
                int maxInclusionsTemp;
                min = TransitionInstrument.MIN_INCLUSION_MAX;
                max = TransitionInstrument.MAX_INCLUSION_MAX;
                if (!helper.ValidateNumberTextBox(tabControl1, (int)TABS.Instrument, textMaxInclusions,
                                                  min, max, out maxInclusionsTemp))
                {
                    return;
                }
                maxInclusions = maxInclusionsTemp;
            }
            int?minTime = null, maxTime = null;

            min = TransitionInstrument.MIN_TIME;
            max = TransitionInstrument.MAX_TIME;
            if (!string.IsNullOrEmpty(textMinTime.Text))
            {
                int minTimeTemp;
                if (!helper.ValidateNumberTextBox(tabControl1, (int)TABS.Instrument, textMinTime,
                                                  min, max, out minTimeTemp))
                {
                    return;
                }
                minTime = minTimeTemp;
            }
            if (!string.IsNullOrEmpty(textMaxTime.Text))
            {
                int maxTimeTemp;
                if (!helper.ValidateNumberTextBox(tabControl1, (int)TABS.Instrument, textMaxTime,
                                                  min, max, out maxTimeTemp))
                {
                    return;
                }
                maxTime = maxTimeTemp;
            }
            if (minTime.HasValue && maxTime.HasValue && maxTime.Value - minTime.Value < TransitionInstrument.MIN_TIME_RANGE)
            {
                helper.ShowTextBoxError(tabControl1, (int)TABS.Instrument, textMaxTime,
                                        string.Format(Resources.TransitionSettingsUI_OkDialog_The_allowable_retention_time_range__0__to__1__must_be_at_least__2__minutes_apart,
                                                      minTime, maxTime, TransitionInstrument.MIN_TIME_RANGE));
                return;
            }

            TransitionInstrument instrument = new TransitionInstrument(minMz,
                                                                       maxMz, isDynamicMin, mzMatchTolerance, maxTrans, maxInclusions, minTime, maxTime);

            Helpers.AssignIfEquals(ref instrument, Instrument);

            // Validate and store full-scan settings

            // If high resolution MS1 filtering is enabled, make sure precursor m/z type
            // is monoisotopic and isotope enrichments are set
            FullScanPrecursorIsotopes precursorIsotopes = PrecursorIsotopesCurrent;
            FullScanMassAnalyzerType  precursorAnalyzerType = PrecursorMassAnalyzer;

            if (precursorIsotopes != FullScanPrecursorIsotopes.None &&
                precursorAnalyzerType != FullScanMassAnalyzerType.qit)
            {
                if (precursorMassType != MassType.Monoisotopic)
                {
                    MessageDlg.Show(this, Resources.TransitionSettingsUI_OkDialog_High_resolution_MS1_filtering_requires_use_of_monoisotopic_precursor_masses);
                    tabControl1.SelectedIndex = (int)TABS.Prediction;
                    comboPrecursorMass.Focus();
                    return;
                }

                if (FullScanSettingsControl.Enrichments == null)
                {
                    tabControl1.SelectedIndex = (int)TABS.FullScan;
                    MessageDlg.Show(GetParentForm(this), Resources.TransitionSettingsUI_OkDialog_Isotope_enrichment_settings_are_required_for_MS1_filtering_on_high_resolution_mass_spectrometers);
                    FullScanSettingsControl.ComboEnrichmentsSetFocus();
                    return;
                }
            }

            IsolationScheme           isolationScheme = FullScanSettingsControl.IsolationScheme;
            FullScanAcquisitionMethod acquisitionMethod = AcquisitionMethod;

            if (isolationScheme == null && acquisitionMethod == FullScanAcquisitionMethod.DIA)
            {
                tabControl1.SelectedIndex = (int)TABS.FullScan;
                MessageDlg.Show(this, Resources.TransitionSettingsUI_OkDialog_An_isolation_scheme_is_required_to_match_multiple_precursors);
                FullScanSettingsControl.ComboIsolationSchemeSetFocus();
                return;
            }

            if (isolationScheme != null && isolationScheme.WindowsPerScan.HasValue && !maxInclusions.HasValue)
            {
                MessageDlg.Show(this, Resources.TransitionSettingsUI_OkDialog_Before_performing_a_multiplexed_DIA_scan_the_instrument_s_firmware_inclusion_limit_must_be_specified);
                tabControl1.SelectedIndex = (int)TABS.Instrument;
                textMaxInclusions.Focus();
                return;
            }

            if (FullScanSettingsControl.IsDIA() && cbExclusionUseDIAWindow.Checked)
            {
                if (FullScanSettingsControl.IsolationScheme.IsAllIons)
                {
                    MessageDlg.Show(this, Resources.TransitionSettingsUI_OkDialog_Cannot_use_DIA_window_for_precusor_exclusion_when__All_Ions__is_selected_as_the_isolation_scheme___To_use_the_DIA_window_for_precusor_exclusion__change_the_isolation_scheme_in_the_Full_Scan_settings_);
                    tabControl1.SelectedIndex = (int)TABS.Filter;
                    cbExclusionUseDIAWindow.Focus();
                    return;
                }
                if (FullScanSettingsControl.IsolationScheme.FromResults)
                {
                    MessageDlg.Show(this, Resources.TransitionSettingsUI_OkDialog_Cannot_use_DIA_window_for_precursor_exclusion_when_isolation_scheme_does_not_contain_prespecified_windows___Please_select_an_isolation_scheme_with_prespecified_windows_);
                    tabControl1.SelectedIndex = (int)TABS.Filter;
                    cbExclusionUseDIAWindow.Focus();
                    return;
                }
            }

            TransitionFullScan fullScan;

            if (!FullScanSettingsControl.ValidateFullScanSettings(helper, out fullScan, tabControl1, (int)TABS.FullScan))
            {
                return;
            }

            Helpers.AssignIfEquals(ref fullScan, FullScan);

            TransitionSettings settings = new TransitionSettings(prediction,
                                                                 filter, libraries, integration, instrument, fullScan);

            // Only update, if anything changed
            if (!Equals(settings, _transitionSettings))
            {
                if (!_parent.ChangeSettingsMonitored(this, Resources.TransitionSettingsUI_OkDialog_Changing_transition_settings,
                                                     s => s.ChangeTransitionSettings(settings)))
                {
                    return;
                }
                _transitionSettings = settings;
            }

            DialogResult = DialogResult.OK;
        }