Welcome to IDSimPy

IDSimPy is a pre- and postprocessing package for IDSimF. IDSimF, the Ion Dynamics Simulation Framework, is an open source framework for the simulation of non-relativistic dynamics of molecular ions. The primary application of IDSimF is in the domain of mass spectrometry and ion mobility spectrometry.

Introduction and Overview

IDSimPy is a Python companion package to IDSimF. IDSimPy bundles functionality for the pre- and postprocessing of input data for IDSimF simulations and of IDSimF result data. IDSimPy aims to provide a simple and productive interface to IDSimF.

Features

The current main features are:

• Reading of IDSimF trajectory and chemistry data

• Filtering / statistical analysis of trajectory data

• Visualization of IDSimF results (plotting and animation rendering)

• Generation of sets simulation run configuration files from configuration templates

• Preparation of ion cloud files

• Transformation of field data (electric fields / flow fields) from other codes (Comsol / OpenFOAM) to IDSimF input files

Installation:

• Prerequisites and Installation

User Guide:

• Reading, filtering and analyzing IDSimF ion trajectory data
• Reading and analyzing IDSimF chemistry results
• Visualization of IDSimF ion trajectories
• Preprocessing and generating input data for IDSimF
• Import of Comsol Multiphysics result data into IDSimF

Package / Module Documentation:

• Analysis Package Documentation
• Preprocessing Package Documentation

Indices and tables

• Index

• Module Index