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@seto77
seto77 committed Jun 20, 2024
1 parent 7d86322 commit dd5cff4
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Showing 14 changed files with 1,405 additions and 1,259 deletions.
4 changes: 2 additions & 2 deletions Crystallography.Controls/Crystallography.Controls.csproj
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Expand Up @@ -4,8 +4,8 @@
<OutputType>Library</OutputType>
<TargetFramework>net8.0-windows10.0.22621.0</TargetFramework>
<UseWindowsForms>true</UseWindowsForms>
<AssemblyVersion>2024.5.24.1008</AssemblyVersion>
<FileVersion>2024.5.24.1008</FileVersion>
<AssemblyVersion>2024.6.20.0809</AssemblyVersion>
<FileVersion>2024.6.20.0809</FileVersion>
<ApplicationHighDpiMode>PerMonitorV2</ApplicationHighDpiMode>
<ApplicationUseCompatibleTextRendering>true</ApplicationUseCompatibleTextRendering>
<ApplicationVisualStyles>true</ApplicationVisualStyles>
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4 changes: 2 additions & 2 deletions Crystallography.OpenGL/Crystallography.OpenGL.csproj
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Expand Up @@ -4,8 +4,8 @@
<OutputType>Library</OutputType>
<TargetFramework>net8.0-windows10.0.22621.0</TargetFramework>
<UseWindowsForms>true</UseWindowsForms>
<AssemblyVersion>2024.5.24.1008</AssemblyVersion>
<FileVersion>2024.5.24.1008</FileVersion>
<AssemblyVersion>2024.6.20.0809</AssemblyVersion>
<FileVersion>2024.6.20.0809</FileVersion>
<SupportedOSPlatformVersion>7.0</SupportedOSPlatformVersion>
</PropertyGroup>

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23 changes: 19 additions & 4 deletions Crystallography/Crystal/Crystal.cs
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Original file line number Diff line number Diff line change
Expand Up @@ -986,7 +986,7 @@ public void SetPlanes(double dMax, double dMin, bool excludeEquivalentPlane, boo
double cX = C_Star.X, cY = C_Star.Y, cZ = C_Star.Z;

var gMax = 1 / dMin;
(int h, int k, int l)[] directions = new[] { (1, 0, 0), (-1, 0, 0), (0, 1, 0), (0, -1, 0), (0, 0, 1), (0, 0, -1) };
(int h, int k, int l)[] directions = [(1, 0, 0), (-1, 0, 0), (0, 1, 0), (0, -1, 0), (0, 0, 1), (0, 0, -1)];

var shift = directions.Select(dir => (MatrixInverse * dir).Length).Max();

Expand Down Expand Up @@ -1211,13 +1211,23 @@ public void SetPlanes()

private readonly object lockObj = new();


/// <summary>
/// dMin以上の逆格子ベクトルを計算し、wavesorceに従って、構造因子を計算
/// </summary>
/// <param name="dMin"></param>
/// <param name="wavesource"></param>
/// <param name="excludeLatticeCondition"></param>
public void SetVectorOfG(double dMin, WaveSource wavesource, bool excludeLatticeCondition = true)
=> SetVectorOfG(dMin,double.PositiveInfinity,wavesource,excludeLatticeCondition);

/// <summary>
/// dMin以上、dMax以下の範囲で逆格子ベクトルを計算し、wavesorceに従って、構造因子を計算
/// </summary>
/// <param name="dMin"></param>
/// <param name="dMax"></param>
/// <param name="wavesource"></param>
public void SetVectorOfG(double dMin, WaveSource wavesource, bool excludeLatticeCondition = true)
public void SetVectorOfG(double dMin, double dMax, WaveSource wavesource, bool excludeLatticeCondition = true)
{
if (double.IsNaN(dMin)) return;

Expand Down Expand Up @@ -1287,8 +1297,13 @@ public void SetVectorOfG(double dMin, WaveSource wavesource, bool excludeLattice
;
outer = outer[..end];
}
gList.RemoveAt(0);

gList.RemoveAt(0);// 000スポットを削除
if (!double.IsInfinity(dMax))
{
var i = gList.FindIndex(g => g.len > 1 / dMax);
if (i > 0)
gList.RemoveRange(0, i);
}
VectorOfG = new Vector3D[gList.Count * 2];
Parallel.For(0, gList.Count, i =>
{
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6 changes: 3 additions & 3 deletions Crystallography/Crystallography.csproj
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Expand Up @@ -4,8 +4,8 @@
<OutputType>Library</OutputType>
<TargetFramework>net8.0-windows10.0.22621.0</TargetFramework>
<UseWindowsForms>true</UseWindowsForms>
<AssemblyVersion>2024.5.24.1008</AssemblyVersion>
<FileVersion>2024.5.24.1008</FileVersion>
<AssemblyVersion>2024.6.20.0809</AssemblyVersion>
<FileVersion>2024.6.20.0809</FileVersion>
<SupportedOSPlatformVersion>7.0</SupportedOSPlatformVersion>
</PropertyGroup>

Expand All @@ -28,7 +28,7 @@
<PackageReference Include="MemoryPack" Version="1.21.1" />
<PackageReference Include="OpenTK" Version="3.3.3" />
<PackageReference Include="SimdLinq" Version="1.3.2" />
<PackageReference Include="System.Linq.Dynamic.Core" Version="1.3.14" />
<PackageReference Include="System.Linq.Dynamic.Core" Version="1.4.0" />
</ItemGroup>

<ItemGroup>
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95 changes: 61 additions & 34 deletions ReciPro/DiffractionSimulator/FormDiffractionSimulator.cs
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Original file line number Diff line number Diff line change
Expand Up @@ -807,7 +807,7 @@ double fillCircleSpread(Color c, PointD pt, double intensity, double sigma)

var dev2 = dev * dev;

if (SinPhi * SinTau * vec.X + CosPhi * SinTau * vec.Y + CosTau * (-vec.Z + EwaldRadius) > 0)
//if (SinPhi * SinTau * vec.X + CosPhi * SinTau * vec.Y + CosTau * (-vec.Z + EwaldRadius) > 0)
//(vec.X, -vec.Y, -vec.Z + EwaldRadius) と(SinPhi*SinTau, -CosPhi*sinTau, cosTau) の内積が0より大きい = 前方散乱)
{
var pt = convertReciprocalToDetector(vec);
Expand Down Expand Up @@ -1170,9 +1170,13 @@ private void DrawScale(Graphics g)

pen.Brush = new SolidBrush(colorControlScale2Theta.Color);

if(originSrc.IsNaN)
originSrc= convertReciprocalToDetector(new Vector3DBase(0, 0, 2*EwaldRadius));

for (double n = Math.Max(1, startN); n < endN; n++)
{
var twoTheta = n * stepInteger * Math.Pow(10, stepPow);
if (twoTheta == 180) break;
var ptsArray = Geometriy.ConicSection(twoTheta / 180 * Math.PI, Phi, Tau, CameraLength2, cornerDetector[0], cornerDetector[2]);
if (radioButtonBeamPrecessionXray.Checked)//X線プリセッションの場合
ptsArray =
Expand All @@ -1183,6 +1187,7 @@ private void DrawScale(Graphics g)
foreach (var pts in ptsArray)
g.DrawLines(pen, pts.ToArray());

//var labelPosition = getLabelPosition(ptsArray.SelectMany(p => p).Where(p => IsScreenArea(p, 20)), originSrc, -135);
var labelPosition = getLabelPosition(ptsArray.SelectMany(p => p).Where(p => IsScreenArea(p, 20)), originSrc, -135);
if (checkBoxScaleLabel.Checked && !double.IsNaN(labelPosition.X))
g.DrawString(twoTheta.ToString("g12") + "°", font, new SolidBrush(colorControlScale2Theta.Color), labelPosition.ToPointF());
Expand Down Expand Up @@ -1292,21 +1297,44 @@ public void SetVector(bool renewCrystal = false)
var sw = new Stopwatch();
sw.Start();

var minD = new[] {
1 / convertScreenToReciprocal(0, 0, false).Length,
1 / convertScreenToReciprocal(0, graphicsBox.ClientSize.Height, false).Length,
1 / convertScreenToReciprocal(graphicsBox.ClientSize.Width, 0, false).Length,
1 / convertScreenToReciprocal(graphicsBox.ClientSize.Width, graphicsBox.ClientSize.Height, false).Length
}.Min();
int width = graphicsBox.ClientSize.Width, height = graphicsBox.ClientSize.Height;

//最大、最小のd値を決定
double minD, maxD;
//180°散乱が画面内に含まれる場合
if (IsScreenArea(convertReciprocalToDetector(new Vector3DBase(0, 0, 2 * EwaldRadius))))
minD = WaveLength / 2;
else
minD = 1 / (new[] {
Enumerable.Range(0,height).Select(h => convertScreenToReciprocal(0, h, false).Length ).Max(),
Enumerable.Range(0,height).Select(h => convertScreenToReciprocal(width, h, false).Length ).Max(),
Enumerable.Range(0,width).Select(w => convertScreenToReciprocal(w, 0, false).Length ).Max(),
Enumerable.Range(0,width).Select(w => convertScreenToReciprocal(w, height, false).Length ).Max(),
}.Max());

//ダイレクトスポットが画面内に含まれる場合
if (IsScreenArea(convertReciprocalToDetector(new Vector3DBase(0, 0, 0))))
maxD = double.PositiveInfinity;
else
maxD = 1 / (new[] {
Enumerable.Range(0,height).Select(h => convertScreenToReciprocal(0, h, false).Length ).Min(),
Enumerable.Range(0,height).Select(h => convertScreenToReciprocal(width, h, false).Length ).Min(),
Enumerable.Range(0,width).Select(w => convertScreenToReciprocal(w, 0, false).Length ).Min(),
Enumerable.Range(0,width).Select(w => convertScreenToReciprocal(w, height, false).Length ).Min(),
}.Min());
//最大、最小のd値を決定 ここまで

if (toolStripButtonDiffractionSpots.Checked)
{
if (radioButtonBeamBackLaue.Checked)//Back Laueのとき
minD = UniversalConstants.Convert.EnergyToXrayWaveLength(50_000) / 2;//取りあえず80kV
{
maxD = double.PositiveInfinity;
minD = UniversalConstants.Convert.EnergyToXrayWaveLength(50_000) / 2;//取りあえず50kV
}

foreach (var crystal in formMain.Crystals)
{
crystal.SetVectorOfG(minD, radioButtonIntensityKinematical.Checked ? Source : WaveSource.None);
crystal.SetVectorOfG(minD, maxD, radioButtonIntensityKinematical.Checked ? Source : WaveSource.None);

var latticeType = crystal.Symmetry.LatticeTypeStr;

Expand Down Expand Up @@ -1360,8 +1388,11 @@ public void SetVector(bool renewCrystal = false)
if (width == 0 || height == 0)
return (0, 0);

var originSrc = convertReciprocalToDetector(new Vector3DBase(0, 0, 0));
var originInside = IsScreenArea(originSrc);
var originSrc = convertReciprocalToDetector(new Vector3DBase(0, 0, 0));//逆空間原点の検出器座標
var originInside = IsScreenArea(originSrc);//逆空間原点が検出器内にいるか

var originInverseSrc = convertReciprocalToDetector(new Vector3DBase(0, 0, 2*EwaldRadius));//逆空間原点と反対向き（すなわち入射ビームの反対向き）の検出器座標
var originInverseInside = IsScreenArea(originInverseSrc);//逆空間原点と反対向きの点が検出器内にいるか

var edges = new List<Vector3DBase>();
edges.AddRange(Enumerable.Range(0, width).Select(w => convertScreenToReal(w, 0)));
Expand All @@ -1378,7 +1409,7 @@ public void SetVector(bool renewCrystal = false)
else
{
min2Theta = originInside ? 0 : edges.Select(p => Math.Atan2(Math.Sqrt(p.X2Y2), p.Z)).Min();
max2Theta = edges.Select(p => Math.Atan2(Math.Sqrt(p.X2Y2), p.Z)).Max();
max2Theta = originInverseInside ? Math.PI : edges.Select(p => Math.Atan2(Math.Sqrt(p.X2Y2), p.Z)).Max();
}
if (double.IsNaN(min2Theta)) min2Theta = 0;
if (double.IsNaN(max2Theta)) max2Theta = 175 / 180.0 * Math.PI;
Expand Down Expand Up @@ -1527,8 +1558,12 @@ private PointD convertReciprocalToDetector(Vector3DBase g)
else//通常の平面検出器の場合
{
var v = DetectorRotationInv * new Vector3DBase(g.X, -g.Y, EwaldRadius - g.Z);
var coeff = CameraLength2 / v.Z;
return new PointD(v.X * coeff, v.Y * coeff);
if (v.Z < 0) return new PointD(double.NaN, double.NaN);
else
{
var coeff = CameraLength2 / v.Z;
return new PointD(v.X * coeff, v.Y * coeff);
}
}
}

Expand Down Expand Up @@ -1606,7 +1641,7 @@ private void graphicsBox_MouseDown(object sender, MouseEventArgs e)
for (int i = 0; i < gVector.Count; i++)
if (dev - gVector[i] * v / gVector[i].Length < 1E-8)
list.Add(gVector[i]);
list = list.OrderBy(g => g.Length2).ToList();
list = [.. list.OrderBy(g => g.Length2)];

var sb = new StringBuilder();
sb.Append($"The spot is a supoerposition of mutiple of g = {list[0].Index.h} {list[0].Index.k} {list[0].Index.l}\r\n");
Expand Down Expand Up @@ -2671,7 +2706,7 @@ private void checkBoxReciprocalSpace_CheckedChanged(object sender, EventArgs e)
}

private readonly object lockObj = new();
private List<GLObject> ewaldList = new();
private List<GLObject> ewaldList = [];
private (double maxAngle, double ewaldRadius, bool Precession) beforeEwald = (0, 0, false);
private void Draw3D()
{
Expand Down Expand Up @@ -2817,8 +2852,8 @@ private void Draw3D()
#region ガイドの描画
if (checkBox3D_DirectionGuide.Checked)
{
glObjects.AddRange(new GLObject[]
{
glObjects.AddRange(
[
new Cylinder(new V3(0, 0, 0.5 + spotRadius) + shift, new V3(0, 0, 2), 0.075, new Material(colorControl3D_beamDirection.Color), DrawingMode.Surfaces),
new Cone(new V3(0, 0, spotRadius) + shift, new V3(0, 0, 0.5), 0.2, new Material(colorControl3D_beamDirection.Color), DrawingMode.Surfaces),

Expand All @@ -2827,15 +2862,15 @@ private void Draw3D()

new Cylinder(new V3(0, 0, 0) + shift, new V3(1.5, 0, 0), 0.075, new Material(colorControl3D_rightDirection.Color), DrawingMode.Surfaces),
new Cone(new V3(2, 0, 0) + shift, new V3(-0.5, 0, 0), 0.2, new Material(colorControl3D_rightDirection.Color), DrawingMode.Surfaces),
});
]);

if (checkBox3D_ShowIndices.Checked)
glObjects.AddRange(new GLObject[]
{
glObjects.AddRange(
[
new TextObject("Beam", 10f, new V3(0, 0, 2.5 + spotRadius) + shift, 5, true, matText),
new TextObject("Top", 10f, new V3(0, 2, 0) + shift, 5, true, matText),
new TextObject("Right", 10f, new V3(2, 0, 0) + shift, 5, true, matText)
});
]);
}
#endregion

Expand Down Expand Up @@ -2929,27 +2964,19 @@ private void toolStripMenuItemSaveMovieDiffractionPattern_Click(object sender, E
}
#endregion


private void radioButtonResoUnit_CheckedChanged(object sender, EventArgs e)
{
if (sender is RadioButton a && a.Checked)
{
skipDrawing = true;
SkipEvent = true;
skipDrawing = SkipEvent = true;

var val = numericBoxResolution.Value;

if (radioButtonResoUnitMilliMeter.Checked)
{
numericBoxResolution.Value = CameraLength2 * Math.Tan(2 * Math.Asin(WaveLength * val / 2.0)) ;

}
else
{
numericBoxResolution.Value = 2.0 * Math.Sin(Math.Atan(val / CameraLength2) / 2.0) / WaveLength;
}
SkipEvent = false;

skipDrawing = false;

SkipEvent = skipDrawing = false;
}
}
}
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