Macro¶

Most operations in PDIndexer can be automated with the Macro feature. Macros are Python scripts written in IronPython (a Python implementation that runs on .NET), edited and executed in a dedicated macro editor window. Use them to automate repetitive tasks, batch-process multiple files, and export results to CSV or image files in bulk.

Basic Python knowledge

Macros accept standard Python syntax (for loops, if/else, lists, functions, etc.) directly. This page does not explain the Python language itself. PDIndexer-specific functionality is invoked through the PDI object described below.

Opening the macro editor¶

From the main window menu bar, choose Macro → Editor to open the macro editor window (titled Macro).

Macros created and saved in the editor are also listed by name under the Macro menu, so you can run them directly from the menu. The macro list is saved automatically when PDIndexer exits and restored on the next launch.

Layout of the editor window¶

The editor window consists of the following parts.

Part	Description
Macro list (left)	A list of saved macro names. Click an entry to load that macro into the editor on the right.
Code editor (center)	The area where you type the Python script. It supports a line-number gutter, auto-indent, input completion (auto-complete), and function tooltips.
Function reference table	A table of every function available under `PDI`. Double-click a cell to insert that function name into the code at the cursor position.
Debug panel (right)	Displays the variable names and values at the current point during step execution.
Status bar	Shows the current cursor position (`Line` / `Col`).

List operation buttons¶

Use the following buttons to edit the macro list.

Button	Action
`Add`	Adds the current code to the list under the name typed in the name box (prompts to overwrite if the name already exists).
`Replace`	Replaces the macro selected in the list with the current code.
`Delete`	Removes the selected macro from the list.
`↑` / `↓`	Moves the selected macro up or down within the list.
`Show samples`	Toggles the display of the built-in sample macros (see below).

Saving and loading

Macros can be saved to and loaded from individual .mcr files. Drag and drop a .mcr file onto the editor window to load its contents. Pressing Ctrl+S after editing overwrites the currently selected macro.

Running a macro¶

Run the macro using the buttons at the bottom of the code editor.

Button	Action
`Run macro`	Runs the macro normally, all the way through.
`Step by step`	Executes the macro one line at a time. It pauses before each line and shows the current variable values in the debug panel on the right.
`Next step (F10)`	Advances to the next line during step execution (the `F10` key works too).
`Stop`	Aborts execution. Aborting is only effective during `Step by step` execution.

print() is not available

The macro editor has no standard-output console, so print() output is not shown. To inspect variable values, run the macro in Step by step mode and watch the values change in the debug panel.

Sample macros¶

Checking the Show samples button displays the built-in sample macros in the list (read-only). The samples are shown in the current UI language (English/Japanese). Use them as a reference when writing your own macros. The built-in samples are:

Name	Content
01. Basic loop and if	Basics of `for` loops and `if`/`else`
02. Math functions	Using the `math` module (`pi`, `sin`, `sqrt`, `exp`, `log`, etc.)
03. Drawing view setup	Setting the view range with `PDI.Drawing.SetBounds`
04. Load profiles and crystals	`PDI.File.ReadProfiles` / `ReadCrystals`
05. Inspect crystal cell constants	Reading cell constants, volume, and pressure via `PDI.Crystal`
06. Scan crystal list	Looping over all of `PDI.CrystalList`
07. Average multiple profiles	`PDI.ProfileOperator.Average`
08. Fitting workflow	A full `PDI.Fitting` sequence
09. Sequential analysis and export	Running `PDI.Sequential` and exporting CSV
10. Save metafile series per profile	Saving one EMF per profile in bulk

The math module is pre-imported

import math is executed automatically when the editor starts, so you can use the math module directly, e.g. math.sqrt(2), without an explicit import statement.

Function reference¶

All PDIndexer-specific functionality is invoked through the classes under the root object PDI. PDI is already available in the macro scope, so no import is needed.

Each table below is transcribed from the [Help] attributes in the source code. The same list appears in the function reference table inside the editor window and in section 6 of the web manual.

Notation

In the signature column, (get/set) denotes a read/write property and (get) a read-only property. An argument with = value is a default argument and may be omitted.

PDI (root)¶

Member	Signature	Description
`Sleep`	`Sleep(int millisec)`	Pause the macro execution for the given milliseconds.
`Obj`	`Obj (get/set)`	Get/Set objects passed in from another program (inter-process arguments).

PDI.File — File I/O¶

Member	Signature	Description
`GetDirectoryPath`	`GetDirectoryPath(string filename = "")`	Get a directory path (with trailing backslash). If `filename` is omitted, a folder selection dialog opens. Otherwise the directory part of `filename` is returned.
`GetFileName`	`GetFileName()`	Open a file selection dialog and return the full path of the chosen file. Returns an empty string if the user cancels.
`GetFileNames`	`GetFileNames()`	Open a multi-select file dialog and return the full paths of the chosen files. Returns an empty array if the user cancels.
`ReadProfiles`	`ReadProfiles(string filename)`	Read profile data from the given file. If `filename` is omitted (or does not exist), a file selection dialog will open.
`SaveProfiles`	`SaveProfiles(string filename)`	Save profile data to the given file. If `filename` is omitted, a save dialog will open.
`ReadCrystals`	`ReadCrystals(string filename)`	Read crystal data from the given file. If `filename` is omitted (or does not exist), a file selection dialog will open.
`SaveCrystals`	`SaveCrystals(string filename)`	Save crystal data to the given file. If `filename` is omitted, a save dialog will open.
`SaveMetafile`	`SaveMetafile(string filename)`	Save the current pattern as a Windows Metafile (`.emf`). If `filename` is omitted, a save dialog will open.
`SaveText`	`SaveText(string text, string filename)`	Save the given text content to a `.txt` file. If `filename` is omitted, a save dialog will open.

PDI.Drawing — Drawing view¶

Member	Signature	Description
`MaxX`	`MaxX (get/set)`	Get/Set the upper limit of the X axis (the largest value the axis can take, not the current view).
`MinX`	`MinX (get/set)`	Get/Set the lower limit of the X axis (the smallest value the axis can take, not the current view).
`MaxY`	`MaxY (get/set)`	Get/Set the upper limit of the Y axis (the largest value the axis can take, not the current view).
`MinY`	`MinY (get/set)`	Get/Set the lower limit of the Y axis (the smallest value the axis can take, not the current view).
`EndX`	`EndX (get/set)`	Get/Set the right edge (end) of the X axis in the current drawing view.
`StartX`	`StartX (get/set)`	Get/Set the left edge (start) of the X axis in the current drawing view.
`EndY`	`EndY (get/set)`	Get/Set the top edge (end) of the Y axis in the current drawing view.
`StartY`	`StartY (get/set)`	Get/Set the bottom edge (start) of the Y axis in the current drawing view.
`SetBounds`	`SetBounds(double startX, double endX, double startY, double endY)`	Set the drawing view by giving the four edges (StartX, EndX, StartY, EndY).

PDI.Crystal — Selected crystal¶

Cell constants CellA–CellC are in \( \mathrm{\AA} \), and CellAlpha–CellGamma are in degrees (deg).

Member	Signature	Description
`CellVolume`	`CellVolume (get)`	Get the cell volume (\( \mathrm{\AA}^3 \)) of the selected crystal. Returns 0 if no crystal is selected.
`Pressure`	`Pressure(double volume = 0)`	Get the pressure (GPa) of the selected crystal calculated from its EOS. If `volume` is 0 (default), the current cell volume is used.
`Name`	`Name (get/set)`	Get/Set the name of the selected crystal.
`CellA`	`CellA (get/set)`	Get/Set the cell constant a (\( \mathrm{\AA} \)) of the selected crystal.
`CellB`	`CellB (get/set)`	Get/Set the cell constant b (\( \mathrm{\AA} \)) of the selected crystal.
`CellC`	`CellC (get/set)`	Get/Set the cell constant c (\( \mathrm{\AA} \)) of the selected crystal.
`CellAlpha`	`CellAlpha (get/set)`	Get/Set the cell constant alpha (deg) of the selected crystal.
`CellBeta`	`CellBeta (get/set)`	Get/Set the cell constant beta (deg) of the selected crystal.
`CellGamma`	`CellGamma (get/set)`	Get/Set the cell constant gamma (deg) of the selected crystal.

PDI.CrystalList — Crystal list¶

Member	Signature	Description
`Open`	`Open()`	Open the 'Crystal List' window.
`Close`	`Close()`	Close the 'Crystal List' window.
`Count`	`Count (get)`	Get the total number of crystals in the list.
`SelectedName`	`SelectedName (get)`	Get the name of the currently selected crystal. Returns an empty string if no crystal is selected.
`SelectedIndex`	`SelectedIndex (get/set)`	Get/Set the index of the currently selected crystal.
`Select`	`Select(int index)`	Select the crystal at the given index.
`Check`	`Check(int index = -1, bool state = true)`	Check or uncheck the crystal at the given index. If `index` is -1, the currently selected crystal is targeted.
`Uncheck`	`Uncheck(int index = -1)`	Uncheck the crystal at the given index. If `index` is -1, the currently selected crystal will be unchecked.
`GetCellVolume`	`GetCellVolume (get)`	Get the cell volume (\( \mathrm{\AA}^3 \)) of the selected crystal. Same as `PDI.Crystal.CellVolume`; kept for backward compatibility.

PDI.Profile — Selected profile¶

Member	Signature	Description
`Comment`	`Comment (get/set)`	Get/Set the comment text of the currently selected profile.
`Name`	`Name (get/set)`	Get/Set the display name of the currently selected profile.

PDI.ProfileOperator — Profile arithmetic¶

Each profile is specified by its index in the list. output is the name given to the resulting profile.

Member	Signature	Description
`Average`	`Average(int[] indices, string output)`	Calculate the average of the profiles whose indices are listed in `indices` (e.g. `[1,3,5,9]`). `output` is the name given to the resulting profile.
`AddTwoProfiles`	`AddTwoProfiles(int index1, int index2, string output)`	Calculate profile1 + profile2. Each profile is specified by its index. `output` is the name given to the resulting profile.
`SubtractTwoProfiles`	`SubtractTwoProfiles(int index1, int index2, string output)`	Calculate profile1 − profile2. Each profile is specified by its index. `output` is the name given to the resulting profile.
`MultiplyTwoProfiles`	`MultiplyTwoProfiles(int index1, int index2, string output)`	Calculate profile1 × profile2. Each profile is specified by its index. `output` is the name given to the resulting profile.
`DivideTwoProfiles`	`DivideTwoProfiles(int index1, int index2, string output)`	Calculate profile1 ÷ profile2. Each profile is specified by its index. `output` is the name given to the resulting profile.

PDI.ProfileList — Profile list¶

Member	Signature	Description
`Open`	`Open()`	Open the 'Profile List' window.
`Close`	`Close()`	Close the 'Profile List' window.
`DeleteAll`	`DeleteAll()`	Delete all profiles from the list (no confirmation dialog).
`Delete`	`Delete(int index)`	Delete the profile at the given index.
`Count`	`Count (get)`	Get the total number of profiles in the list.
`SelectedName`	`SelectedName (get)`	Get the name of the currently selected profile. Returns an empty string if no profile is selected.
`SelectedIndex`	`SelectedIndex (get/set)`	Get/Set the index of the currently selected profile.
`Select`	`Select(int index)`	Select the profile at the given index.
`Check`	`Check(int index = -1, bool state = true)`	Check or uncheck the profile at the given index. If `index` is -1, the currently selected profile is targeted.
`Uncheck`	`Uncheck(int index = -1)`	Uncheck the profile at the given index. If `index` is -1, the currently selected profile will be unchecked.
`CheckAll`	`CheckAll()`	Check every profile in the list.
`UncheckAll`	`UncheckAll()`	Uncheck every profile in the list.

PDI.Fitting — Peak fitting¶

Operates the Peak fitting window.

Member	Signature	Description
`Open`	`Open()`	Open the 'Fitting peaks' window.
`Close`	`Close()`	Close the 'Fitting peaks' window.
`Apply`	`Apply()`	Apply the optimized cell constants to the selected crystal (equivalent to clicking the `Confirm` button on the fitting window).
`Check`	`Check(int index = -1, bool state = true)`	Check or uncheck the lattice plane at the given index. If `index` is -1, the currently selected plane is targeted.
`Uncheck`	`Uncheck(int index = -1)`	Uncheck the lattice plane at the given index. If `index` is -1, the currently selected plane will be unchecked.
`Select`	`Select(int index)`	Select the lattice plane at the given index.
`SelectedIndex`	`SelectedIndex (get/set)`	Get/Set the index of the currently selected lattice plane.
`Range`	`Range(double range)`	Set the peak search range for the currently selected lattice plane (in the same unit as the X axis).

PDI.Sequential — Sequential analysis¶

Operates the Sequential Analysis window. The CSV getters return the results of the latest sequential analysis as a CSV string.

Member	Signature	Description
`Directory`	`Directory (get/set)`	Get/Set the full directory path where sequential analysis results are saved.
`Open`	`Open()`	Open the 'Sequential Analysis' window.
`Close`	`Close()`	Close the 'Sequential Analysis' window.
`Execute`	`Execute()`	Run the sequential analysis on all checked profiles.
`GetCSV_2theta`	`GetCSV_2theta()`	Get the 2-theta results of the latest sequential analysis as a CSV string.
`GetCSV_D`	`GetCSV_D()`	Get the d-spacing results of the latest sequential analysis as a CSV string.
`GetCSV_FWHM`	`GetCSV_FWHM()`	Get the FWHM results of the latest sequential analysis as a CSV string.
`GetCSV_Intensity`	`GetCSV_Intensity()`	Get the peak intensity results of the latest sequential analysis as a CSV string.
`GetCSV_CellConstants`	`GetCSV_CellConstants()`	Get the cell constant results of the latest sequential analysis as a CSV string.
`GetCSV_Pressure`	`GetCSV_Pressure()`	Get the pressure results of the latest sequential analysis as a CSV string.
`GetCSV_Singh`	`GetCSV_Singh()`	Get the Singh-equation results of the latest sequential analysis as a CSV string.
`AutoSave2theta`	`AutoSave2theta (get/set)`	Get/Set whether 2-theta results are auto-saved after each sequential analysis run.
`AutoSaveDspacing`	`AutoSaveDspacing (get/set)`	Get/Set whether d-spacing results are auto-saved after each sequential analysis run.
`AutoSaveFWHM`	`AutoSaveFWHM (get/set)`	Get/Set whether FWHM results are auto-saved after each sequential analysis run.
`AutoSaveIntensity`	`AutoSaveIntensity (get/set)`	Get/Set whether peak intensity results are auto-saved after each sequential analysis run.
`AutoSaveCellConstants`	`AutoSaveCellConstants (get/set)`	Get/Set whether cell constant results are auto-saved after each sequential analysis run.
`AutoSavePressure`	`AutoSavePressure (get/set)`	Get/Set whether pressure results are auto-saved after each sequential analysis run.
`AutoSaveSingh`	`AutoSaveSingh (get/set)`	Get/Set whether Singh-equation results are auto-saved after each sequential analysis run.

Macro example¶

As one of the built-in samples, here is a macro that runs the sequential analysis and saves the results to CSV.

# Check all profiles, run sequential analysis, then obtain 2-theta / d-spacing /
# cell-constant / pressure results as CSV strings and save each to a file.
PDI.ProfileList.CheckAll()
PDI.Sequential.Open()
PDI.Sequential.Execute()
dir_path = PDI.File.GetDirectoryPath()
PDI.File.SaveText(PDI.Sequential.GetCSV_2theta(),        dir_path + "seq_2theta.csv")
PDI.File.SaveText(PDI.Sequential.GetCSV_D(),             dir_path + "seq_d.csv")
PDI.File.SaveText(PDI.Sequential.GetCSV_CellConstants(), dir_path + "seq_cell.csv")
PDI.File.SaveText(PDI.Sequential.GetCSV_Pressure(),      dir_path + "seq_pressure.csv")

You can browse the other samples from the Show samples button in the editor.