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5 changes: 3 additions & 2 deletions WarpLib/WorkerWrapper.cs
Original file line number Diff line number Diff line change
Expand Up @@ -463,15 +463,16 @@ public void TomoExportParticleSubtomos(string path, ProcessingOptionsTomoSubReco
angles));
}

public void TomoExportParticleSeries(string path, ProcessingOptionsTomoSubReconstruction options, float3[] coordinates, float3[] angles, string pathsRelativeTo, string pathTableOut)
public void TomoExportParticleSeries(string path, ProcessingOptionsTomoSubReconstruction options, float3[] coordinates, float3[] angles, string pathsRelativeTo, string pathTableOut, Dictionary<string, string[]> additionalColumns)
{
SendCommand(new NamedSerializableObject("TomoExportParticleSeries",
path,
options,
coordinates,
angles,
pathsRelativeTo,
pathTableOut));
pathTableOut,
additionalColumns));
}

public void MPAPrepareSpecies(string path, string stagingSave)
Expand Down
54 changes: 51 additions & 3 deletions WarpTools/Commands/Tiltseries/ExportParticlesTiltseries.cs
Original file line number Diff line number Diff line change
Expand Up @@ -102,6 +102,8 @@ class ExportParticlesTiltseriesOptions : DistributedOptions

class ExportParticlesTiltseries : BaseCommand
{
private Dictionary<string, string[]> _additionalColumns;

public override async Task Run(object options)
{
await base.Run(options);
Expand Down Expand Up @@ -167,6 +169,26 @@ public override async Task Run(object options)
}

ValidateInputStar(inputStar);
_additionalColumns = new Dictionary<string, string[]>();
var knownColumns = new HashSet<string>
{
"rlnCoordinateX", "rlnCoordinateY", "rlnCoordinateZ",
"rlnMicrographName", "rlnTomoName",
"rlnOriginX", "rlnOriginXAngst",
"rlnOriginY", "rlnOriginYAngst",
"rlnOriginZ", "rlnOriginZAngst",
"rlnPixelSize", "rlnImagePixelSize",
"rlnAngleRot", "rlnAngleTilt", "rlnAnglePsi",
"rlnOpticsGroup", "rlnOpticsGroupName"
};
foreach (var columnName in inputStar.GetColumnNames())
{
if (!knownColumns.Contains(columnName))
{
_additionalColumns.Add(columnName, inputStar.GetColumn(columnName));
}
}

string[] tiltSeriesIDs = inputStar.HasColumn("rlnMicrographName") ? inputStar.GetColumn("rlnMicrographName") : inputStar.GetColumn("rlnTomoName");
Dictionary<string, List<int>> tiltSeriesIdToParticleIndices =
GroupParticles(tiltSeriesIDs);
Expand Down Expand Up @@ -236,6 +258,21 @@ public override async Task Run(object options)
float3[] tsParticleXyzAngstroms = new float3[tsParticleIdx.Count];
float3[] tsParticleRotTiltPsi = new float3[tsParticleIdx.Count];

Dictionary<string, string[]> tsAdditionalColumns = new Dictionary<string, string[]>();
if (_additionalColumns.Count > 0)
{
foreach (var col in _additionalColumns)
{
var colData = new string[tsParticleIdx.Count];
for (int i = 0; i < tsParticleIdx.Count; i++)
{
colData[i] = col.Value[tsParticleIdx[i]];
}
tsAdditionalColumns.Add(col.Key, colData);
}
}


if (Helper.IsDebug)
Console.WriteLine($"{tsParticleIdx.Count} particles for {tiltSeries.Name}");

Expand Down Expand Up @@ -279,7 +316,8 @@ public override async Task Run(object options)
inputHasEulerAngles: inputHasEulerAngles,
outputPixelSize: cli.OutputPixelSize,
relativeToParticleStarFile: cli.OutputPathsRelativeToStarFile,
particleStarFile: cli.OutputStarFile);
particleStarFile: cli.OutputStarFile,
additionalColumns: tsAdditionalColumns);
lock (OutputStarTables)
OutputStarTables.Add(tiltSeries.Name, TiltSeriesTable);
}
Expand All @@ -302,7 +340,8 @@ public override async Task Run(object options)
pathTableOut: TempTiltSeriesParticleStarPath,
pathsRelativeTo: cli.OutputPathsRelativeToStarFile ?
Path.GetFullPath(OutputStarPath) :
Directory.GetCurrentDirectory());
Directory.GetCurrentDirectory(),
additionalColumns: tsAdditionalColumns);

// generate necessary metadata for particles.star
if (Helper.IsDebug)
Expand Down Expand Up @@ -697,7 +736,8 @@ private Star ConstructSubvolumeOutputTable(
bool inputHasEulerAngles,
float outputPixelSize,
bool relativeToParticleStarFile, // default is relative to working directory
string? particleStarFile
string? particleStarFile,
Dictionary<string, string[]> additionalColumns
)
{
int nParticles = xyz.Length;
Expand Down Expand Up @@ -807,6 +847,14 @@ private Star ConstructSubvolumeOutputTable(
table.RemoveColumn("rlnAnglePsi");
}

if (additionalColumns != null)
{
foreach (var pair in additionalColumns)
{
table.AddColumn(pair.Key, pair.Value);
}
}

return table;
}

Expand Down
16 changes: 15 additions & 1 deletion WarpWorker/WarpWorker.cs
Original file line number Diff line number Diff line change
@@ -1,6 +1,7 @@
using Microsoft.Extensions.Hosting;
using System;
using System.Diagnostics;
using System.Collections.Generic;
using System.Globalization;
using System.IO;
using System.Linq;
Expand Down Expand Up @@ -75,7 +76,7 @@ static async Task Main(string[] args)
webBuilder.UseKestrel(options =>
{
options.ListenAnyIP(Port);
options.Limits.MaxRequestBodySize = 104857600; // 100 MB
options.Limits.MaxRequestBodySize = 500 * 1024 * 1024; // 100 MB
})
.UseStartup<RESTStartup>()
.ConfigureLogging(logging => logging.SetMinimumLevel(LogLevel.Warning));
Expand Down Expand Up @@ -858,6 +859,19 @@ public static void EvaluateCommand(NamedSerializableObject Command)

TiltSeries T = new TiltSeries(Path);
T.ReconstructParticleSeries(Options, Coordinates, Angles, PathsRelativeTo, out TableOut);

Dictionary<string, string[]> AdditionalColumns = null;
if (Command.Content.Length > 6)
AdditionalColumns = (Dictionary<string, string[]>)Command.Content[6];

if (AdditionalColumns != null)
{
foreach (var col in AdditionalColumns)
{
TableOut.AddColumn(col.Key, col.Value);
}
}

T.SaveMeta();

if (!string.IsNullOrEmpty(PathTableOut))
Expand Down