Ruixing Wang performed her Master's work externally at the Soft Condensed Matter group at Leiden University. She finished her final work in July of 2005.
Final Work
Title: A Graphical Programming Environment for Culgi
Abstract: Culgi stands for Chemistry Unified LanGuage Interface and is a new software package for combined research in chemical modeling and property prediction. It provides a powerful library which allows integrated modeling of molecular scale and nanoscale for the first time. With the commands from this library, users can build a simulation application. But the users of Culgi are chemists, most of whom are non-programmers. Programming in the traditional way is not easy and time consuming for them. Thus a new tool is needed to help the users in programming with the Culgi Library. The Culgi GPE (Culgi Graphical Programming Environment) is an experimental interactive system designed and developed to serve this purpose. As a graphical programming environment, it uses modules as the basic building blocks. A module is a visual programming element which contains several commands from the Culgi Library. Considering the requirements from different levels of users, such as novices and skilled users, it exploits several programming models to build a simulation program. It also provides a module editor in which users can make new modules themselves. The applications made in the Culgi GPE can be exported as Tcl source codes as well.
Graduation Committee
- Prof. F.W. Jansen
- Prof. Hans Fraaije (Leiden University)
- External commitee member: dr. ir. Stijn Oomes
Files and Media
Download Master's Thesis (950Kb PDF)
- Sample page from Ruixin's thesis
