diff --git a/CMD/CMD.csproj b/CMD/CMD.csproj index 1a790be..45dd709 100644 --- a/CMD/CMD.csproj +++ b/CMD/CMD.csproj @@ -16,7 +16,7 @@ - + diff --git a/CMD/FlashLFQExecutable.cs b/CMD/FlashLFQExecutable.cs index ac2f42b..83403d9 100644 --- a/CMD/FlashLFQExecutable.cs +++ b/CMD/FlashLFQExecutable.cs @@ -1,6 +1,7 @@ using CommandLine; using CommandLine.Text; using FlashLFQ; +using IO.ThermoRawFileReader; using System; using System.Collections.Generic; using System.Diagnostics; @@ -85,7 +86,7 @@ private static void Run(FlashLfqSettings settings) if (settings.PrintThermoLicenceViaCommandLine) { - Console.WriteLine(ThermoRawFileReader.ThermoRawFileReaderLicence.ThermoLicenceText); + Console.WriteLine(ThermoRawFileReaderLicence.ThermoLicenceText); return; } @@ -106,7 +107,7 @@ private static void Run(FlashLfqSettings settings) else { // decided to write this even if it's on silent mode... - Console.WriteLine(ThermoRawFileReader.ThermoRawFileReaderLicence.ThermoLicenceText); + Console.WriteLine(ThermoRawFileReaderLicence.ThermoLicenceText); Console.WriteLine("\nIn order to search Thermo .raw files, you must agree to the above terms. Do you agree to the above terms? y/n\n"); string res = Console.ReadLine(); diff --git a/Dockerfile b/Dockerfile index ece5be9..6874772 100644 --- a/Dockerfile +++ b/Dockerfile @@ -1,7 +1,7 @@ ## Base image is the Alpine Linux distro with .NET Core runtime FROM mcr.microsoft.com/dotnet/core/runtime:3.1-alpine AS build -## Copies FlashLFQ_CommandLine.zip from the current directory into the Docker image +## Copies contents of the "publish" folder into the Docker image ADD CMD/bin/Release/netcoreapp3.1/publish/ /flashlfq/ ## Set the entrypoint of the Docker image to CMD.dll diff --git a/GUI/GUI.csproj b/GUI/GUI.csproj index 63f6d6b..6e82b80 100644 --- a/GUI/GUI.csproj +++ b/GUI/GUI.csproj @@ -16,7 +16,7 @@ - + diff --git a/GUI/MainWindow.xaml.cs b/GUI/MainWindow.xaml.cs index f6a3b1c..bd303b6 100644 --- a/GUI/MainWindow.xaml.cs +++ b/GUI/MainWindow.xaml.cs @@ -1,5 +1,6 @@ using FlashLFQ; using GUI.DataGridObjects; +using IO.ThermoRawFileReader; using System; using System.Collections.Generic; using System.Collections.ObjectModel; @@ -57,7 +58,6 @@ public MainWindow() idFiles = new ObservableCollection(); worker = new BackgroundWorker(); worker.DoWork += new DoWorkEventHandler(RunProgram); - worker.RunWorkerCompleted += Worker_RunWorkerCompleted; flashLfqEngine = new FlashLfqEngine(new List()); @@ -71,14 +71,6 @@ public MainWindow() Console.SetOut(_writer); } - private void Worker_RunWorkerCompleted(object sender, RunWorkerCompletedEventArgs e) - { - if (e.Error == null) - { - MessageBox.Show("Run complete"); - } - } - private void PopulateSettings() { settings = new FlashLfqSettings(); @@ -122,7 +114,7 @@ private void ParseSettings() } settings.ProteinQuantFoldChangeCutoff = double.Parse(FoldChangeCutoffManualTextBox.Text, CultureInfo.InvariantCulture); - + // ppm tolerance if (double.TryParse(ppmToleranceTextBox.Text, NumberStyles.Number, CultureInfo.InvariantCulture, out double ppmTolerance)) { @@ -304,7 +296,7 @@ private void AddAFile(string filePath) if (!licenceAgreement.HasAcceptedThermoLicence) { var thermoLicenceWindow = new ThermoLicenceAgreementWindow(); - thermoLicenceWindow.LicenceText.AppendText(ThermoRawFileReader.ThermoRawFileReaderLicence.ThermoLicenceText); + thermoLicenceWindow.LicenceText.AppendText(ThermoRawFileReaderLicence.ThermoLicenceText); var dialogResult = thermoLicenceWindow.ShowDialog(); if (dialogResult.HasValue && dialogResult.Value == true) @@ -550,6 +542,18 @@ private void RunFlashLfq() return; } + if (ids.Any(p => p.Ms2RetentionTimeInMinutes > 500)) + { + var res = MessageBox.Show("It seems that some of the retention times in the PSM file(s) are in seconds and not minutes; FlashLFQ requires the RT to be in minutes. " + + "Continue with the FlashLFQ run? (only click yes if the RTs are actually in minutes)", + "Error", MessageBoxButton.YesNo, MessageBoxImage.Hand); + + if (res == MessageBoxResult.No) + { + return; + } + } + // run FlashLFQ engine try { @@ -592,6 +596,8 @@ private void RunFlashLfq() { OutputWriter.WriteOutput(Directory.GetParent(spectraFiles.First().FilePath).FullName, results, flashLfqEngine.Silent, outputFolderPath); + + MessageBox.Show("Run complete"); } catch (Exception ex) { diff --git a/Test/Test.csproj b/Test/Test.csproj index c1e0806..c602147 100644 --- a/Test/Test.csproj +++ b/Test/Test.csproj @@ -14,7 +14,7 @@ - + diff --git a/Util/Util.csproj b/Util/Util.csproj index 06609c0..268230c 100644 --- a/Util/Util.csproj +++ b/Util/Util.csproj @@ -14,7 +14,7 @@ - +