private void bgWorker_DoWork(object sender, DoWorkEventArgs e)
{
object[] objects = (object[])e.Argument;
bool hasWalls = (bool)objects[0];
string fileName = (string)objects[1] + "/" + (string)objects[2] + ".lammpstrj";
string format = (string)objects[3];
double[] shifts = (double[])objects[4];
bool toTrim = (bool)objects[5];
double percentage = (double)objects[6] / 100.0;
string[] files = (string[])objects[7];
for (int i = 0; i < files.Length; i++)
{
double[] sizes = new double[3];
List <double[]> data;
if (format == "xyzr")
{
data = FileWorker.LoadXyzrLines(files[i]);
sizes[0] = Math.Abs(data[data.Count - 1][0] - data[data.Count - 8][0]);
sizes[1] = Math.Abs(data[data.Count - 1][1] - data[data.Count - 8][1]);
sizes[2] = Math.Abs(data[data.Count - 1][2]);
}
else
{
int snapnum = 0;
data = FileWorker.LoadLammpstrjLines(files[i], out snapnum, out sizes);
}
double[] centerPoint = MolData.GetCenterPoint(sizes, data);
var system = MolData.ShiftAll(hasWalls, 0, false, 3, sizes, shifts, centerPoint, data);
if (toTrim)
{
system = MolData.ReduceSystem(system, percentage);
}
FileWorker.SaveLammpstrj(true, fileName, i + 1, sizes, 3, system);
int filesCount = (int)((double)files.Length / 100.0);
if (filesCount == 0)
{
filesCount++;
}
if (i % filesCount == 0)
{
if (((BackgroundWorker)sender).CancellationPending)
{
e.Cancel = true;
break;
}
((BackgroundWorker)sender).ReportProgress((int)(100.0 * (double)i / (double)files.Length));
}
}
}
private void bgWorkerCenter_DoWork(object sender, DoWorkEventArgs e)
{
object[] objects = (object[])e.Argument;
string format = (string)objects[0];
int centerType = (int)objects[1];
string[] files = (string[])objects[2];
bool withZCenter = true;
if (centerType == 2)
{
withZCenter = false;
}
double[] sizes = new double[3];
double[] centerPoint = new double[3];
for (int k = 0, len = files.Length; k < len; k++)
{
if (!bgWorkerCenter.CancellationPending)
{
int snapnum = 0;
var file = new List <double[]>();
readTableFile(format, files[k], out snapnum, out file, out sizes);
if (k == 0)
{
centerPoint = MolData.GetCenterPoint(sizes, file);
}
doAutoCenter(withZCenter, 5, sizes, centerPoint, file);
var strct = MolData.ShiftAll(false, 0, false, 3, sizes, new double[] { 0, 0, 0 }, centerPoint, file);
if (format == "xyzr")
{
FileWorker.Save_XYZ(files[k], true, sizes, strct);
}
else
{
FileWorker.SaveLammpstrj(false, files[k], snapnum, sizes, 3, strct);
}
int filesCount = (int)((double)files.Length / 100.0);
if (filesCount == 0)
{
filesCount++;
}
if (k % filesCount == 0)
{
((BackgroundWorker)sender).ReportProgress((int)(100.0 * (double)k / (double)files.Length));
}
}
else
{
e.Cancel = true;
break;
}
}
}