本記事の内容

格子定数からXRDの回折角度、面間隔・面間角度を計算する自作アプリを作る(下図)
(Windowsフォームアプリケーションを使用するので、Visual StudioおよびC#の機能をインストールしていることが前提)
立方晶、六方晶、正方晶、斜方晶に対応
Cu, CoのX線源に対応 (Kα,Kβの区別もあり)
色々なコードを参考にして作ったので、ごちゃごちゃしたプログラムになっています。とりあえず動けばヨシ！の精神なので、面倒なエラー処理もしていません。

方法 (要点まとめ)

(1) 数式計算用のクラスを定義

1. 右側のソリューションエクスプローラーから、一番上に書いてあるフォームの名前(今回はXRD_calculator)を右クリック→追加→クラス
2. 適当なクラス名を記入して、追加をクリック。今回はCalcEq.csにした。
3. 計算用の数式を記入していく。

逆格子ベクトルと、その内積から角度を計算する。
CryType : 3→立方晶、5→六方晶、6→正方晶、9→斜方晶

internal class CalcEq
    {
        /// <summary>
        /// XRDの回折角を計算する(立方晶・六方晶)
        /// </summary>
        /// <param name="CryType"></param>
        /// <param name="h"></param>
        /// <param name="k"></param>
        /// <param name="l"></param>
        /// <param name="a"></param>
        /// <param name="b"></param>
        /// <param name="c"></param>
        /// <param name="lambda"></param>
        /// <returns></returns>
        public static double calcXRD(int CryType, double h, double k, double l, double a, double b, double c, double lambda)
        {
            double theta;
            if (CryType == 3)
            {
                theta = 2 * 180 / Math.PI * Math.Asin(lambda / a / 2 * Math.Sqrt(h * h + k * k + l * l));
                return theta;
            }
            else if (CryType == 5)
            {
                theta = 2 * 180 / Math.PI * Math.Asin(lambda / 2 * Math.Sqrt((h * h + h * k + k * k) / a / a * 4 / 3 + l * l / c / c));
                return theta;
            }
            else if (CryType == 6)
            {
                theta = 2 * 180 / Math.PI * Math.Asin(lambda / 2 * Math.Sqrt((h * h + k * k) / a / a + l * l / c / c));
                return theta;
            }
            else if (CryType == 9)
            {
                theta = 2 * 180 / Math.PI * Math.Asin(lambda / 2 * Math.Sqrt((h * h) / a / a + (k * k) / b / b + (l * l) / c / c));
                return theta;
            }
            else
            {
                return 100.00;
            }

        }


        public static double calcAngle(int CryType, double h1, double k1, double l1, double h2, double k2, double l2, double a, double b, double c)
        {
            double phi;
            double d1, d2;

            if (CryType == 3)
            {
                phi = 180 / Math.PI * Math.Acos((h1 * h2 + k1 * k2 + l1 * l2) / (Math.Sqrt(h1 * h1 + k1 * k1 + l1 * l1) * Math.Sqrt(h2 * h2 + k2 * k2 + l2 * l2)));
            }
            else if (CryType == 5)
            {
                d1 = 1 / Math.Sqrt((h1 * h1 + k1 * k1 + h1 * k1) * 4 / (3 * a * a) + l1 * l1 / (c * c));
                d2 = 1 / Math.Sqrt((h2 * h2 + k2 * k2 + h2 * k2) * 4 / (3 * a * a) + l2 * l2 / (c * c));
                phi = 180 / Math.PI * Math.Acos(d1 * d2 * ((h1 * h2 + k1 * k2 + 1 / 2 * (h1 * k2 + k1 * h2)) * 4 / (3 * a * a) + l1 * l2 / (c * c)));
            }
            else if (CryType == 6)
            {
                d1 = 1 / Math.Sqrt((h1 * h1 + k1 * k1 + h1 * k1) / (a * a) + l1 * l1 / (c * c));
                d2 = 1 / Math.Sqrt((h2 * h2 + k2 * k2 + h2 * k2) / (a * a) + l2 * l2 / (c * c));
                phi = 180 / Math.PI * Math.Acos(d1 * d2 * ((h1 * h2 + k1 * k2) / (a * a) + (l1 * l2) / (c * c)));
            }
            else if (CryType == 9)
            {
                d1 = 1 / Math.Sqrt((h1 * h1) / a / a + (k1 * k1) / b / b + (l1 * l1) / c / c);
                d2 = 1 / Math.Sqrt((h2 * h2) / a / a + (k2 * k2) / b / b + (l2 * l2) / c / c);
                phi = 180 / Math.PI * Math.Acos(d1 * d2 * (h1 * h2 / a / a + k1 * k2 / b / b + l1 * l2 / c / c));
            }
            else
            {
                phi = 1000.00;//if else 構文を使うとelseを指定しないとダメなので、とりあえずテキトーに値を入れておいた。
            }

            return phi;
        }


        public static double calcDistance(int CryType, double h, double k, double l, double a, double b, double c)
        {
            double d;
            if (CryType == 3)
            {
                d = a / Math.Sqrt(h * h + k * k + l * l);
            }
            else if (CryType == 5)
            {
                d = 1 / Math.Sqrt((h * h + k * k + h * k) * 4 / (3 * a * a) + l * l / (c * c));
            }
            else if (CryType == 6)
            {
                d = 1 / Math.Sqrt((h * h + k * k + h * k) / (a * a) + l * l / (c * c));
            }
            else if (CryType == 9)
            {
                d = 1 / Math.Sqrt((h * h) / a / a + (k * k) / b / b + (l * l) / c / c);
            }
            else
            {
                d = 1000.00;//if else 構文を使うとelseを指定しないとダメなので、とりあえずテキトーに値を入れておいた。
            }
            return d;
        }
    }

ちなみに、各メソッドの上に書いてあるコメントアウトは、メソッドの上の行で///を打つと自動的に入力される。

(2) コントロールの配置

TextBox, Label, Button, DataGridView(左下), ComboBox(右の上から3列目の矢印がついてるやつ)を配置する。DatGridViewは、材料の格子定数と結晶対称性を記入したファイルが入っているフォルダからファイルを読み取ってきて、表示させるために使用する。ComboBoxは、X線の波長を選択するために使用する。

(3) メインのコード

public partial class FormMain : Form
    {
        /// <summary>
        /// datatableのdatasourceとなるdatatable
        /// </summary>
        private DataTable dt = new DataTable();

        private const string COL_NAME = "Material";
        private const string COL_UPDATE = "Update";
        //private static string strCrystal;



        public FormMain()
        {
            InitializeComponent();
            const string xrdparafolder = "XRD_ParameterData";
            Directory.CreateDirectory(xrdparafolder);

            comboBox1.SelectedIndex = 0;
            comboBox2.SelectedIndex = 1;

            

            //dgvMaterialにdtを割り当てる
            dgvMaterial.DataSource = dt;


            System.IO.DirectoryInfo dirInfo;
            System.IO.FileInfo[] fInfolist = null;

            dt.Columns.Add(COL_NAME);
            //dt.Columns.Add(COL_UPDATE);

            string strCurrentDir = System.IO.Directory.GetCurrentDirectory();
            string matPath = System.IO.Path.Combine(strCurrentDir, "XRD_ParameterData");

            try
            {
                dirInfo = new System.IO.DirectoryInfo(matPath);
                fInfolist = dirInfo.GetFiles();
            }
            catch(System.Exception ex)
            {

            }

            foreach(System.IO.FileInfo fInfo in fInfolist)
            {
                DataRow fiItem = dt.NewRow();
                fiItem[COL_NAME] = fInfo.Name;
                //fiItem[COL_UPDATE] = fInfo.LastWriteTime;
                dt.Rows.Add(fiItem);
            }
    

        }

       
        /// <summary>
        /// DataGridViewの行を選択したときの処理
        /// </summary>
        /// <param name="sender"></param>
        /// <param name="e"></param>
        private void dgvMaterial_SelectionChanged(object sender, EventArgs e)
        {
            if(dgvMaterial.SelectedRows.Count < 1)
            {
                return;
            }
            int aSelectedIndex = dgvMaterial.Rows[0].Index;
            //string aFname = dgvMaterial[COL_NAME, aSelectedIndex].Value.ToString();
            string aFname = dgvMaterial.CurrentRow.Cells[0].Value.ToString();
            ReadLCandShow(aFname);
        }

        /// <summary>
        /// 指定された材料の読み込みと格子定数の表示
        /// </summary>
        /// <param name="fname"></param>
        private void ReadLCandShow(string fname)
        {
            string stCurrentDir = System.IO.Directory.GetCurrentDirectory();
            string matPath = System.IO.Path.Combine(stCurrentDir, "XRD_ParameterData", fname);

            String[] matFile = System.IO.File.ReadAllLines(matPath);

            txtCrystalStructure.Text = matFile[0];


            string strCrystal = matFile[0];
            //strCrystal = matFile[0];
            switch (strCrystal)
            {
                case "3":
                    txtCrystalStructure.Text = "Cubic";
                    txtLCa.Text = matFile[1];
                    txtLCb.Text = matFile[1];
                    txtLCc.Text = matFile[1];
                    break;
                case "5":
                    txtCrystalStructure.Text = "Hexagonal";
                    txtLCa.Text = matFile[1];
                    txtLCb.Text = matFile[1];
                    txtLCc.Text = matFile[2];
                    break;
                case "6":
                    txtCrystalStructure.Text = "Tetragonal";
                    txtLCa.Text = matFile[1];
                    txtLCb.Text = matFile[1];
                    txtLCc.Text = matFile[2];
                    break;
                case "9":
                    txtCrystalStructure.Text = "Orthorhombic";
                    txtLCa.Text = matFile[1];
                    txtLCb.Text = matFile[2];
                    txtLCc.Text = matFile[3];
                    break;
                default:
                    txtCrystalStructure.Text = "Select material";
                    break;
            }


            /*
            StringBuilder sb = new StringBuilder();
            for (int i = 0; i < matFile.Length; i++)
            {
                sb.AppendLine(matFile[i]);
            }
            MessageBox.Show(sb.ToString());
            */
        }

        private void btnXRD_Click(object sender, EventArgs e)
        {
            //左列
            double h, k, l;
            double a;
            double b;
            double c;
            double lambda;
            string strCrystalType = txtCrystalStructure.Text;
            int CryType;

            switch(strCrystalType)
            {
                case "Cubic":
                    CryType = 3;
                    break;
                case "Hexagonal":
                    CryType = 5;
                    break;
                case "Tetragonal":
                    CryType = 6;
                    break;
                case "Orthorhombic":
                    CryType = 9;
                    break;
                default:
                    CryType = 3;
                    break;
            }

            

            //力技だけど、とりあえず動くのでこれでやってる
            if ( double.TryParse(txtH1.Text, out h) && double.TryParse(txtK1.Text, out k) && double.TryParse(txtL1.Text, out l) 
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c) 
                && double.TryParse(txtWL1.Text, out lambda) )
            {
                txtP1.Text = CalcEq.calcXRD(CryType,h, k, l, a,b,c, lambda).ToString("F4");
            }
            else
            {
                txtP1.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH2.Text, out h) && double.TryParse(txtK2.Text, out k) && double.TryParse(txtL2.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL1.Text, out lambda))
            {
                txtP2.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP2.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH3.Text, out h) && double.TryParse(txtK3.Text, out k) && double.TryParse(txtL3.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL1.Text, out lambda))
            {
                txtP3.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP3.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH4.Text, out h) && double.TryParse(txtK4.Text, out k) && double.TryParse(txtL4.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL1.Text, out lambda))
            {
                txtP4.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP4.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH5.Text, out h) && double.TryParse(txtK5.Text, out k) && double.TryParse(txtL5.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL1.Text, out lambda))
            {
                txtP5.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP5.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH6.Text, out h) && double.TryParse(txtK6.Text, out k) && double.TryParse(txtL6.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL1.Text, out lambda))
            {
                txtP6.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP6.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH7.Text, out h) && double.TryParse(txtK7.Text, out k) && double.TryParse(txtL7.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL1.Text, out lambda))
            {
                txtP7.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP7.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH8.Text, out h) && double.TryParse(txtK8.Text, out k) && double.TryParse(txtL8.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL1.Text, out lambda))
            {
                txtP8.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP8.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH9.Text, out h) && double.TryParse(txtK9.Text, out k) && double.TryParse(txtL9.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL1.Text, out lambda))
            {
                txtP9.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP9.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH10.Text, out h) && double.TryParse(txtK10.Text, out k) && double.TryParse(txtL10.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL1.Text, out lambda))
            {
                txtP10.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP10.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH11.Text, out h) && double.TryParse(txtK11.Text, out k) && double.TryParse(txtL11.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL2.Text, out lambda))
            {
                txtP11.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP11.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH12.Text, out h) && double.TryParse(txtK12.Text, out k) && double.TryParse(txtL12.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL2.Text, out lambda))
            {
                txtP12.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP12.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH13.Text, out h) && double.TryParse(txtK13.Text, out k) && double.TryParse(txtL13.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL2.Text, out lambda))
            {
                txtP13.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP13.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH14.Text, out h) && double.TryParse(txtK14.Text, out k) && double.TryParse(txtL14.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL2.Text, out lambda))
            {
                txtP14.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP14.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH15.Text, out h) && double.TryParse(txtK15.Text, out k) && double.TryParse(txtL15.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL2.Text, out lambda))
            {
                txtP15.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP15.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH16.Text, out h) && double.TryParse(txtK16.Text, out k) && double.TryParse(txtL16.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL2.Text, out lambda))
            {
                txtP16.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP16.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH17.Text, out h) && double.TryParse(txtK17.Text, out k) && double.TryParse(txtL17.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL2.Text, out lambda))
            {
                txtP17.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP17.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH18.Text, out h) && double.TryParse(txtK18.Text, out k) && double.TryParse(txtL18.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL2.Text, out lambda))
            {
                txtP18.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP18.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH19.Text, out h) && double.TryParse(txtK19.Text, out k) && double.TryParse(txtL19.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL2.Text, out lambda))
            {
                txtP19.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP19.Text = "Error";
            }
            //力技だけど、とりあえず動くのでこれでやってる
            if (double.TryParse(txtH20.Text, out h) && double.TryParse(txtK20.Text, out k) && double.TryParse(txtL20.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c)
                && double.TryParse(txtWL2.Text, out lambda))
            {
                txtP20.Text = CalcEq.calcXRD(CryType, h, k, l, a, b, c, lambda).ToString("F4");
            }
            else
            {
                txtP20.Text = "Error";
            }

        }

        private void comboBox1_TextChanged(object sender, EventArgs e)
        {
            if (comboBox1.SelectedIndex == 0)
            {
                txtWL1.Text = "1.541838";
            }
            else if(comboBox1.SelectedIndex == 1)
            {
                txtWL1.Text = "1.392218";
            }
            else if(comboBox1.SelectedIndex == 2)
            {
                txtWL1.Text = "1.540562";
            }
            else if(comboBox1.SelectedIndex == 3)
            {
                txtWL1.Text = "1.54439";
            }
            else if (comboBox1.SelectedIndex == 4)
            {
                txtWL1.Text = "1.79026";
            }
            else if (comboBox1.SelectedIndex == 5)
            {
                txtWL1.Text = "1.62079";
            }
            else if (comboBox1.SelectedIndex == 6)
            {
                txtWL1.Text = "1.78896";
            }
            else if (comboBox1.SelectedIndex == 7)
            {
                txtWL1.Text = "1.79285";
            }
            else
            {
                txtWL1.Text = "1.541838";
            }
            btnXRD.PerformClick();
        }

        private void comboBox2_TextChanged(object sender, EventArgs e)
        {
            if (comboBox2.SelectedIndex == 0)
            {
                txtWL2.Text = "1.541838";
            }
            else if (comboBox2.SelectedIndex == 1)
            {
                txtWL2.Text = "1.392218";
            }
            else if (comboBox2.SelectedIndex == 2)
            {
                txtWL2.Text = "1.540562";
            }
            else if (comboBox2.SelectedIndex == 3)
            {
                txtWL2.Text = "1.54439";
            }
            else if (comboBox2.SelectedIndex == 4)
            {
                txtWL2.Text = "1.79026";
            }
            else if (comboBox2.SelectedIndex == 5)
            {
                txtWL2.Text = "1.62079";
            }
            else if (comboBox2.SelectedIndex == 6)
            {
                txtWL2.Text = "1.78896";
            }
            else if (comboBox2.SelectedIndex == 7)
            {
                txtWL2.Text = "1.79285";
            }
            else
            {
                txtWL2.Text = "1.541838";
            }
            btnXRD.PerformClick();
        }

        private void btnPlaneAngle_Click(object sender, EventArgs e)
        {
            double h1, k1, l1, h2, k2, l2;
            double a, b, c;

            string strCrystalType = txtCrystalStructure.Text;
            int CryType;

            //（上手いやり方ではない）
            switch (strCrystalType)
            {
                case "Cubic":
                    CryType = 3;
                    break;
                case "Hexagonal":
                    CryType = 5;
                    break;
                case "Tetragonal":
                    CryType= 6;
                    break;
                case "Orthorhombic":
                    CryType = 9;
                    break;
                default:
                    CryType = 3;
                    break;
            }

            if (double.TryParse(txtP1H.Text, out h1) && double.TryParse(txtP1K.Text, out k1) && double.TryParse(txtP1L.Text, out l1)
                && double.TryParse(txtP2H.Text, out h2) && double.TryParse(txtP2K.Text, out k2) && double.TryParse(txtP2L.Text, out l2)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c))
            {
                txtPlaneAangle.Text = CalcEq.calcAngle(CryType, h1, k1, l1, h2, k2, l2, a, b, c).ToString("F4");
            }
            else
            {
                txtPlaneAangle.Text = "Error";
            }
        }

        private void btnPlaneDistance_Click(object sender, EventArgs e)
        {
            double h, k, l;
            double a, b, c;

            string strCrystalType = txtCrystalStructure.Text;
            int CryType;

            switch (strCrystalType)
            {
                case "Cubic":
                    CryType = 3;
                    break;
                case "Hexagonal":
                    CryType = 5;
                    break;
                case "Tetragonal":
                    CryType = 6;
                    break;
                case "Orthorhombic":
                    CryType = 9;
                    break;
                default: 
                    CryType = 3; //とりあえず設定してるけど何の意味もない
                    break;
            }

            if (double.TryParse(txtP1H.Text, out h) && double.TryParse(txtP1K.Text, out k) && double.TryParse(txtP1L.Text, out l)
                && double.TryParse(txtLCa.Text, out a) && double.TryParse(txtLCb.Text, out b) && double.TryParse(txtLCc.Text, out c))
            {
                txtPlaneDistance.Text = CalcEq.calcDistance(CryType, h, k, l, a, b, c).ToString("F4");
            }
            else
            {
                txtPlaneDistance.Text = "Error";
            }
        }

        private void txtH1_Validated(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        

        private void txtH1_TextChanged_1(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK1_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL1_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH2_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK2_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL2_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH3_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK3_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL3_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH4_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK4_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL4_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH5_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK5_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL5_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH6_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK6_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL6_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH7_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK7_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL7_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH8_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK8_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL8_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH9_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK9_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL9_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH10_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK10_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL10_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH11_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK11_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL11_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH12_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK12_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL12_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH13_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK13_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL13_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH14_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK14_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL14_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH15_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK15_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL15_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH16_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK16_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL16_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH17_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK17_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL17_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH18_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK18_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL18_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH19_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK19_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL19_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtH20_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtK20_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtL20_TextChanged(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void dgvMaterial_DoubleClick(object sender, EventArgs e)
        {
            btnXRD.PerformClick();
        }

        private void txtLCa_KeyDown(object sender, KeyEventArgs e)
        {
            if(e.KeyCode == Keys.Enter)
            {
                btnXRD.PerformClick();
            }
        }

        private void txtLCb_KeyDown(object sender, KeyEventArgs e)
        {
            if(e.KeyCode == Keys.Enter)
            {
                btnXRD.PerformClick();
            }
        }

        private void txtLCc_KeyDown(object sender, KeyEventArgs e)
        {
            if(e.KeyCode == Keys.Enter)
            {
                btnXRD.PerformClick();
            }
        }
    }

(4) 材料ファイルの準備

XRD_ParameterDataというフォルダをXRD_calculator.exeと同じディレクトリに作成しておく。
以下のような形式でテキストファイルを作成する。l1：は行数を表しているだけなので、実際のファイルには数字だけを記入する。

(Cubic : Al)
l1 : 3
l2 : 4.04934

(Hexagonal : AlN)
l1 : 5
l2 : 3.12859
l3 : 5.01695

(Tetragonal : TiO2)
l1 : 6
l2 : 3.74
l3 : 9.39

(Orthorhombic : V2O5)
l1 : 9
l2 : 11.51
l3 : 3.564
l4 : 4.368