update

seto77 · Sep 9, 2022 · b332dfe · b332dfe
1 parent 56c1339
commit b332dfe
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Showing 9 changed files with 2,053 additions and 2,036 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>2022.09.08.1135</AssemblyVersion>
-    <FileVersion>2022.09.08.1135</FileVersion>
+    <AssemblyVersion>2022.09.09.2035</AssemblyVersion>
+    <FileVersion>2022.09.09.2035</FileVersion>
     <ApplicationIcon>App.ico</ApplicationIcon>
   </PropertyGroup>
 

diff --git a/CSManager/StdDb.cdb3 b/CSManager/StdDb.cdb3
diff --git a/CSManager/Version.cs b/CSManager/Version.cs
@@ -23,11 +23,12 @@ static public string RecentHistory
             }
         }
 
-        static public int AMCSD = 20819;
-        static public int COD = 476346;
+        static public int AMCSD = 20997;
+        static public int COD = 490180;
 
         static public string History = 
             "History" +
+                "\r\n ver1.891(2022/09/09) Renewed AMCSD database (contains 20,997) and COD database (490,180)." +
                 "\r\n ver1.890(2021/11/12) Target framework is changed to .Net 6.0." +
                 "\r\n ver1.888(2021/07/16) Renewed AMCSD database (contains 20,819)" +
                 "\r\n ver1.887(2021/07/12) Changed the target framework to .Net 5.0. Improved loading speed of database. Renewed COD database (463,756)" +

diff --git a/Crystallography.Controls/Crystallography.Controls.csproj b/Crystallography.Controls/Crystallography.Controls.csproj
@@ -4,8 +4,8 @@
     <OutputType>Library</OutputType>
     <TargetFramework>net6.0-windows</TargetFramework>
     <UseWindowsForms>true</UseWindowsForms>
-    <AssemblyVersion>2022.9.8.0234</AssemblyVersion>
-    <FileVersion>2022.9.8.0234</FileVersion>
+    <AssemblyVersion>2022.9.9.1118</AssemblyVersion>
+    <FileVersion>2022.9.9.1118</FileVersion>
   </PropertyGroup>
 
   <PropertyGroup Condition="'$(Configuration)|$(Platform)'=='Debug|AnyCPU'">

diff --git a/Crystallography/Crystal/CrystalMinimum.cs b/Crystallography/Crystal/CrystalMinimum.cs
@@ -118,17 +118,15 @@ public static Crystal GetCrystal(Crystal2 c)
 
             var anisoValues = a.IsU ? aniso.Select(an => an.Value / 100).ToArray() : aniso.Select(an => an.Value).ToArray();
             var anisoErrors = a.IsU ? aniso.Select(an => an.Error / 100).ToArray() : aniso.Select(an => an.Error).ToArray();
-
-            atom.Add(
-                new Atoms(
+            var _atom = new Atoms(
                     a.Label, a.AtomNo, a.SubXray, a.SubElectron, null, c.sym,
                     new Vector3D(pos[0].Value, pos[1].Value, pos[2].Value, false),
                     new Vector3D(pos[0].Error, pos[1].Error, pos[2].Error, false),
                     occ.Value, occ.Error,
                     new DiffuseScatteringFactor(a.IsU ? DiffuseScatteringFactor.Type.U : DiffuseScatteringFactor.Type.B, a.IsIso,
                         iso.Value, iso.Error, anisoValues, anisoErrors, cell.Values)
-                    )
-                );
+                    );
+            atom.Add(_atom );
             atom[^1].ResetVesta();
 
             //AtomNoが255(重水素D)だった時の処理

diff --git a/Crystallography/Crystallography.csproj b/Crystallography/Crystallography.csproj
@@ -4,8 +4,8 @@
     <OutputType>Library</OutputType>
     <TargetFramework>net6.0-windows</TargetFramework>
     <UseWindowsForms>true</UseWindowsForms>
-    <AssemblyVersion>2022.9.8.0234</AssemblyVersion>
-    <FileVersion>2022.9.8.0234</FileVersion>
+    <AssemblyVersion>2022.9.9.1118</AssemblyVersion>
+    <FileVersion>2022.9.9.1118</FileVersion>
   </PropertyGroup>
 
   <PropertyGroup Condition="'$(Configuration)|$(Platform)'=='Debug|AnyCPU'">

diff --git a/Crystallography/Matrix.cs b/Crystallography/Matrix.cs
@@ -972,13 +972,29 @@ public static Vector3D InnerLattice(Vector3D v)
     /// <returns></returns>
     public Vector3D InnerLattice()
     {
-        double[] d = new double[] { X, Y, Z };
-        for (int j = 0; j < 3; j++)
-        {
-            while (d[j] < 0) { d[j] += 1; }
-            while (d[j] >= 1) { d[j] -= 1; }
-        }
-        return new Vector3D(d[0], d[1], d[2], false);
+        double x = X, y = Y, z = Z;
+        while (x < 0) x += 1;
+        while (x >= 1) x -= 1;
+        while (y < 0) y += 1;
+        while (y >= 1) y -= 1;
+        while (z < 0) z += 1;
+        while (z >= 1) z -= 1;
+        return new Vector3D(x, y, z, false);
+    }
+
+    /// <summary>
+    /// 座標一ずつを加減算し、0から1の範囲内に収める
+    /// </summary>
+    /// <param name="v"></param>
+    /// <returns></returns>
+    public void InnerLatticeThis()
+    {
+        while (X < 0) X += 1;
+        while (X >= 1) X -= 1;
+        while (Y < 0) Y += 1;
+        while (Y >= 1) Y -= 1;
+        while (Z < 0) Z += 1;
+        while (Z >= 1) Z -= 1;
     }
 
     public override string ToString() => Text != "" ? Text : $"{X}, {Y}, {Z}";