structure-generator 0.0.2

This is a tool to generate eta and comp structure data.

sturcture_generator

Instruction

This is a package designed to generate eta/comp structures, consisting of four modules. In the basic module, there are functions for generating 3D data with various distributions and functions for writing data to files. The eta module contains functions for generating eta data, the comp module includes functions for generating comp data, and in the scripts module, there are functions that can be executed via the command line.

How to use

In the pyproject.toml file, a command-line command generate_structure is defined, with its detailed implementation specified in the scripts/generate_structure.py file. It accepts a parameter indicating the location of the input.toml file and ultimately generates eta/comp structural data.

How to add functionality

If we want to add new functionality, we can utilize the basic functionalities within the basic module or add new functionalities to it. Subsequently, we can introduce a new package under the structure_generator, employing the basic functionalities to fulfill our requirements. Finally, we define functions for command-line invocation in the scripts directory, and we can pass command-line parameters through argparser package. It's important to note that the command-line configuration should be specified in the pyproject.toml file.

# pyproject.toml
[project.scripts]
generate_structure = structure_generator.generate_sturcture

How to build a package

pacakge build tutorial

build construction

If you want to build the package, run the following commands in the directory where the pyproject.toml is located, depending on the operating system. The built package will appear in the dist folder.

# windows
py -m build
# Unix/macOs
python3 -m build