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巨集範例

ReciPro 巨集的實用範例。開頭幾個是適合初學者的入門介紹；後面的範例展示批次處理操作。

注：ReciPro 巨集 API 以 ReciPro.ClassName.Member 的形式存取。自動完成彈出視窗總是插入完整的 ReciPro. 前綴，因此你幾乎不需要手動輸入它。

初學者範例

A. 基本迴圈

熟悉編輯器最簡單的方式。用 Step by step 執行下面的程式碼，並在偵錯面板中觀察 i 與 sq 的變化 —— 這就是 ReciPro 中「輸出」值的方式（print() 無法運作）。

# Loop 10 times and compute the squares.
for i in range(10):
    sq = i * i

B. 使用 math 模組

math 模組在啟動時自動匯入。可直接使用。

r = 5.0
area = math.pi * r * r
circumference = 2 * math.pi * r
# Run in Step mode to see 'area' and 'circumference' in the debug panel.

C. 旋轉目前的晶體

# Rotate the current crystal by 30 degrees around the a-axis (x-axis).
ReciPro.Dir.RotateAroundAxisInDeg(1, 0, 0, 30)

D. 對齊到晶帶軸

# Align so that the [001] zone axis is normal to the screen.
ReciPro.Dir.ProjectAlongAxis(0, 0, 1)

E. 遍歷前幾個晶體

# Collect the names of the first 5 crystals in the list.
names = []
for i in range(5):
    ReciPro.CrystalList.SelectedIndex = i
    names.append(ReciPro.Crystal.Name)
# Run in Step mode to see 'names' grow line by line.

F. 開啟繞射圖樣

# Open the diffraction simulator and display the [001] pattern
# of the first crystal in the list with 200 keV electrons.
ReciPro.CrystalList.SelectedIndex = 0
ReciPro.DifSim.Open()
ReciPro.DifSim.Source_Electron()
ReciPro.DifSim.Energy = 200
ReciPro.Dir.ProjectAlongAxis(0, 0, 1)

批次處理範例

1. 為所有晶體儲存繞射圖樣

folder = ReciPro.File.GetDirectoryPath()

ReciPro.DifSim.Open()
ReciPro.DifSim.Source_Electron()
ReciPro.DifSim.Energy = 200  # 200 keV
ReciPro.DifSim.Calc_Kinematical()
ReciPro.DifSim.SkipRendering = True

for i in range(80):  # adjust to your crystal count
    ReciPro.CrystalList.SelectedIndex = i
    name = ReciPro.Crystal.Name
    ReciPro.Dir.ProjectAlongAxis(0, 0, 1)
    ReciPro.DifSim.SaveAsPng(folder + name + "_001.png")
    ReciPro.Dir.ProjectAlongAxis(1, 1, 0)
    ReciPro.DifSim.SaveAsPng(folder + name + "_110.png")

ReciPro.DifSim.SkipRendering = False

2. 旋轉並擷取快照

folder = ReciPro.File.GetDirectoryPath()
ReciPro.DifSim.Open()
ReciPro.DifSim.Source_Electron()
ReciPro.DifSim.Energy = 200

ReciPro.Dir.ProjectAlongAxis(0, 0, 1)

for i in range(90):
    ReciPro.DifSim.SaveAsPng(folder + "rot_%03d.png" % i)
    ReciPro.Dir.RotateAroundAxisInDeg(1, 0, 0, 1)

3. 設定歐拉角

# Euler angles in degrees
ReciPro.Dir.EulerInDeg(45, 30, 60)

# Same thing in radians (math is pre-imported)
ReciPro.Dir.Euler(math.pi/4, math.pi/6, math.pi/3)

4. 沿晶面與晶軸投影

ReciPro.Dir.ProjectAlongPlane(1, 1, 1)  # (111) normal → screen
ReciPro.Dir.ProjectAlongAxis(1, 1, 0)   # [110] → screen

5. 批次匯入 CIF 檔案

files = ReciPro.File.GetFileNames()
for f in files:
    ReciPro.File.ReadCrystal(f)
    ReciPro.CrystalList.Add()

6. 匯出繞射點資訊

ReciPro.DifSim.Open()
ReciPro.Dir.ProjectAlongAxis(0, 0, 1)
info = ReciPro.DifSim.SpotInfo()
ReciPro.File.SaveText(info, "spot_info.csv")

提示

  • 檢視變數值：print() 在此環境中無法運作（沒有主控台）。請使用 Step by step 執行方式，並觀察偵錯面板，它會在每一行列出區域變數。
  • math 已預先匯入：math.sqrt(x)、math.sin(x)、math.pi、math.radians(deg) 無需 import math 即可使用。
  • 批次處理加速：在密集迴圈期間設定 ReciPro.DifSim.SkipRendering = True，之後再將其重設為 False。
  • 等待算繪：當需要讓 GUI 跟上時，呼叫 ReciPro.Sleep(ms) 來暫停執行。
  • 自動完成：彈出視窗顯示完整的 ReciPro.Class.Member 形式。輸入幾個字母，然後用 Enter 或 Tab 確認。

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