public static List <MolData> ShiftAll(bool hasWalls, int wallsType, bool onlyPolymer, double density, double[] sizes, double[] shifts, double[] centerPoint, List <double[]> data)
{
var system = new List <MolData>();
foreach (var c in data)
{
for (int i = 0; i <= 2; i++)
{
if (c[3] != 1.08 && c[3] != 1.09)
{
c[i] += shifts[i];
if (c[i] <= centerPoint[i] - sizes[i] / 2.0)
{
c[i] += sizes[i];
}
if (c[i] >= centerPoint[i] + sizes[i] / 2.0)
{
c[i] -= sizes[i];
}
}
}
}
double maxNum = sizes[0] * sizes[1] * sizes[2] * density;
if (data.Count < Math.Abs(maxNum))
{
maxNum = data.Count;
}
for (int i = 0; (double)i < maxNum; i++)
{
var newAtom = new MolData(data[i][3], i + 1, Convert.ToInt32(data[i][4]), data[i][0], data[i][1], data[i][2]);
system.Add(newAtom);
}
if (onlyPolymer)
{
system = system.Where(x => x.AtomType.Equals(1.00) ||
x.AtomType.Equals(1.01) ||
x.AtomType.Equals(1.04) ||
x.AtomType.Equals(1.09)).ToList();
}
if (hasWalls)
{
StructFormer fFormer = new StructFormer(hasWalls, wallsType, sizes[0], sizes[1], sizes[2], density, centerPoint, data);
if (wallsType == 1 && system.Where(x => x.AtomType.Equals(1.09)).ToList().Count == 0)
{
fFormer.AddWalls(system);
}
}
return(system);
}
private void btnRecolor_Click(object sender, EventArgs e)
{
int molOneAmount = Convert.ToInt32(tbNonLinMolAmount.Text);
int nonLinLength = Convert.ToInt32(tbNonLinLength.Text);
int linLength = Convert.ToInt32(tbLinMolLenght_Page8_2.Text);
int molTwoCount = 0;
if (linLength > 0)
{
molTwoCount = (InputColorData.Where <double[]>((x => x[3] <= 1.01)).Count() - molOneAmount * nonLinLength) / linLength;
}
RecoloredComposition = StructFormer.Recolor(chbLeftOnlyPolymer_2.Checked, true, chbAllDiff.Checked, chbIsDb.Checked,
cmbNonLinPlace.SelectedIndex, nonLinLength, molOneAmount, linLength, molTwoCount, InputColorData);
btnSaveStruct_Page2.Enabled = true;
}
private void btnCutSlice_Click(object sender, EventArgs e)
{
try
{
if (cmbCutAxis.SelectedIndex == -1)
{
MessageBox.Show(null, "Вы не выбрали плоскость среза!", "Внимание!", MessageBoxButtons.OK, MessageBoxIcon.Exclamation);
return;
}
else if (tbCutCoord.Text == "")
{
MessageBox.Show(null, "Вы не выбрали координату среза!", "Внимание!", MessageBoxButtons.OK, MessageBoxIcon.Exclamation);
return;
}
else
{
double coord = replaceValue(tbCutCoord.Text);
if (cmbCutAxis.SelectedIndex == 0)
{
double sizeZ = replaceValue(tbZ_Page1.Text);
if (Math.Abs(coord) > sizeZ / 2.0)
{
MessageBox.Show(null, "Координата среза больше размеров ящика!", "Внимание!", MessageBoxButtons.OK, MessageBoxIcon.Exclamation);
return;
}
}
if (cmbCutAxis.SelectedIndex == 1)
{
double sizeY = replaceValue(tbY_Page1.Text);
if (Math.Abs(coord) > sizeY / 2.0)
{
MessageBox.Show(null, "Координата среза больше размеров ящика!", "Внимание!", MessageBoxButtons.OK, MessageBoxIcon.Exclamation);
return;
}
}
if (cmbCutAxis.SelectedIndex == 2)
{
double sizeX = replaceValue(tbX_Page1.Text);
if (Math.Abs(coord) > sizeX / 2.0)
{
MessageBox.Show(null, "Координата среза больше размеров ящика!", "Внимание!", MessageBoxButtons.OK, MessageBoxIcon.Exclamation);
return;
}
}
double xSize = replaceValue(tbX_Page1.Text);
double ySize = replaceValue(tbY_Page1.Text);
double zSize = replaceValue(tbZ_Page1.Text);
double density = replaceValue(tbDensity_Page1.Text);
if (chbBySphere.Checked)
{
coord = replaceValue(tbSphereRad.Text);
}
EditedComposition = StructFormer.MakeSlice(chbCutOnlyPolymer.Checked, chbBySphere.Checked, density,
xSize, ySize, zSize, cmbCutAxis.SelectedIndex, coord, InputCut);
if (btnSaveStruct_Page1.Enabled)
{
return;
}
btnSaveStruct_Page1.Enabled = true;
}
}
catch (Exception ex)
{
MessageBox.Show(null, ex.ToString(), "Ошибка!", MessageBoxButtons.OK, MessageBoxIcon.Hand);
return;
}
}
