update

seto77 · Oct 25, 2022 · 3efeee2 · 3efeee2
1 parent b332dfe
commit 3efeee2
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Showing 33 changed files with 7,960 additions and 7,482 deletions.
diff --git a/CSManager/CSManager.csproj b/CSManager/CSManager.csproj
@@ -4,8 +4,8 @@
     <OutputType>WinExe</OutputType>
     <TargetFramework>net6.0-windows</TargetFramework>
     <UseWindowsForms>true</UseWindowsForms>
-    <AssemblyVersion>2022.09.09.2035</AssemblyVersion>
-    <FileVersion>2022.09.09.2035</FileVersion>
+    <AssemblyVersion>2022.10.25.1516</AssemblyVersion>
+    <FileVersion>2022.10.25.1516</FileVersion>
     <ApplicationIcon>App.ico</ApplicationIcon>
   </PropertyGroup>
 

diff --git a/Crystallography.Controls/Crystal/CrystalControl.Designer.cs b/Crystallography.Controls/Crystal/CrystalControl.Designer.cs
diff --git a/Crystallography.Controls/Crystal/CrystalControl.cs b/Crystallography.Controls/Crystal/CrystalControl.cs
@@ -1,6 +1,8 @@
 #region Using
+using Crystallography.Controls;
 using MathNet.Numerics.LinearAlgebra.Double;
 using System;
+using System.Collections.Generic;
 using System.ComponentModel;
 using System.Drawing;
 using System.IO;
@@ -283,17 +285,8 @@ public void SetToInterface(bool ChangeCellParameter = true)
 
         public void ReadCrystal(string filename)
         {
-
-            try
-            {
-                Crystal = ConvertCrystalData.ConvertToCrystal(filename);
-            }
-            catch (Exception ex)
-            {
-                if (Crystallography.AssemblyState.IsDebug)
-                    MessageBox.Show(ex.ToString());
-                return;
-            }
+            try { Crystal = ConvertCrystalData.ConvertToCrystal(filename); }
+            catch (Exception ex) { if (AssemblyState.IsDebug) MessageBox.Show(ex.ToString()); return; }
         }
 
         #region ドラッグドロップイベント
@@ -369,6 +362,69 @@ private void strainControlToolStripMenuItem_Click(object sender, EventArgs e)
             formStrain.Visible = !formStrain.Visible;
         }
 
+        /// <summary>
+        /// 空間群P1に変換
+        /// </summary>
+        /// <param name="sender"></param>
+        /// <param name="e"></param>
+        private void convertToP1ToolStripMenuItem_Click(object sender, EventArgs e)
+        {
+            toSuperStructure(1, 1, 1);
+        }
+
+        //超構造に変換
+        private void convertToSuperstructureToolStripMenuItem_Click(object sender, EventArgs e)
+        {
+            var dlg = new FormSuperStructure();
+            if(dlg.ShowDialog()== DialogResult.OK)
+                toSuperStructure(dlg.A, dlg.B, dlg.C);
+        }
+
+        private void toSuperStructure(int _u, int _v, int _w)
+        {
+            GenerateFromInterface();
+            crystal.SymmetrySeriesNumber = 1;
+
+            var temp_atoms = new List<Atoms>();
+            foreach (var atoms in Crystal.Atoms)
+            {
+                int n = 0;
+                foreach (var atom in atoms.Atom)
+                {
+                    for (double u = 0; u < _u; u++)
+                        for (double v = 0; v < _v; v++)
+                            for (double w = 0; w < _w; w++)
+                            {
+                                var x = (atom.X + u) / _u;
+                                var y = (atom.Y + v) / _v;
+                                var z = (atom.Z + w) / _w;
+
+                                var x_err = atoms.X_err / _u;
+                                var y_err = atoms.Y_err / _v;
+                                var z_err = atoms.Z_err / _w;
+
+                                temp_atoms.Add(new Atoms(
+                                    atoms.Label.TrimEnd() + "_" + n.ToString(),
+                                    atoms.AtomicNumber, atoms.SubNumberXray, atoms.SubNumberElectron, atoms.Isotope,
+                                    1,
+                                    new Vector3DBase(x, y, z), new Vector3DBase(x_err, y_err, z_err),
+                                    atoms.Occ, atoms.Occ_err,
+                                    atoms.Dsf,
+                                    atoms.Material,
+                                    atoms.Radius, atoms.GLEnabled, atoms.ShowLabel));
+                                n++;
+                            }
+                }
+            }
+            crystal.A *= _u;
+            crystal.B *= _v;
+            crystal.C *= _w;
+            crystal.Atoms = temp_atoms.ToArray();
+
+            SetToInterface(true);
+            GenerateFromInterface();
+        }
+
         #endregion 右クリックメニュー
 
         #region キーボードイベント
@@ -664,5 +720,10 @@ private void button1_Click(object sender, EventArgs e)
         {
             GenerateFromInterface();
         }
+
+        private void clearAllDataToolStripMenuItem_Click(object sender, EventArgs e)
+        {
+
+        }
     }
 }