dara.generate_control_file module

Generate a control file for BGMN.

copy_instrument_files(instrument_profile, working_dir)

Copy the instrument file (.geq) to the working directory.

Parameters:

working_dir (Path) – the working directory

Return type:

str

Returns:

The name of the instrument

copy_xy_pattern(pattern_path, working_dir)

Copy the xy pattern to the working directory.

Return type:

Path

generate_control_file(pattern_path, str_paths, instrument_profile, working_dir=None, *, n_threads=8, wmin=None, wmax=None, eps1=0.0, eps2='0_-0.05^0.05', wavelength='Cu')

Generate a control file for BGMN.

Parameters:

• pattern_path (Path) – the path to the pattern file. It has to be in .xy format

• str_paths (list[Path]) – the paths to the STR files

• instrument_profile (str | Path) – the name of the instrument, if it is a path, it must be ended with .geq

• working_dir (Path | None) – the working directory

• n_threads (int) – the number of threads to use

• wmin (float | None) – the minimum wavelength

• wmax (float | None) – the maximum wavelength

• eps1 (float | str) – the epsilon1 value, it is used to refine zero point

• eps2 (float | str) – the epsilon2 value, it is used to refine sample height

• wavelength (Union[Literal['Cu', 'Co', 'Cr', 'Fe', 'Mo'], float]) – the wavelength to use. If a float is provided, it is used as the wavelength in nm (synchrotron radiation). If a string is provided, it is the target material in X-ray tubes.

Return type:

Path

trim_pattern(xy_content)

Trim the pattern to remove negative intensities.

Return type:

ndarray