Master's Thesis - Computer Graphics and Visualization - TU Delft

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dragging and dropping. This system is called the Culgi GPE (Graphical Programming Environment). In general, the Culgi GPE should integrate the Culgi Library and the Tcl interpreter, and provide a user-friendly interface to the application authors. Within the Culgi GPE, users can program interactively by dragging-and-dropping, selecting some values, and typing in some parameters. Then, users can run their programs specified in this system. Meanwhile, the users’ programs can be exported into a Tcl script file including a GUI, which can run without the Culgi GPE. Figure 1-4 shows the position of the Culgi GPE in the overview of the whole Culgi package. Culgi Library by C++ Culgi.dll + Tcl Interpreter The Culgi GPE Users Figure 1-4. The Culgi GPE Interaction Scripts In this report, chapter 2 analyzes the functional requirements and non-functional requirements particularly. Chapter 3 explains the programming models to build a simulation program. Besides the Sequence Editor and the Concept Editor, a model named the Network Editor is also described although it is not a successful solution to the Culgi GPE. Chapter 3 also particularly describes the design on modules as well. Then chapter 4 introduces the main architecture and implementation of the whole system (the detailed introduction about the definitions of class are in Appendix A). Chapter 5 shows the result of the implementation and the feedback from users. Finally, Chapter 6 draws some conclusions and suggests future work. - 4 -
Chapter 2 Requirement Analysis This project deals with the design and development of a prototype of the Culgi GPE. This prototype supplies a visual programming mechanism to the users who have little experience in programming. The purposes of this mechanism are to allow users to build a chemistry simulation program in just a few hours; also, to export the source code of the users’ programs automatically. The prototype will implement some basic functionality to achieve these goals. This chapter defines the functional and nonfunctional requirements of the Culgi GPE. Section 2.1 will give an overall description of the requirements and section 2.2 will give a specification requirement analysis. 2.1 General Requirements The Culgi GPE is a subset of the whole Culgi Package. It will be an interface between the Culgi library and the users, and a bridge between the Culgi Library and Tcl Scripts. As a graphical programming environment, it allows users to build a chemistry simulation program in just a few hours. And it can export an end user application automatically which consists of the source code of the users’ programs as well as the end user GUI. Figure 1-4 shows the overview of the Culgi GPE. This section describes the characteristics of the target group, and the hardware and software interface to this system. Then it concludes the overall requirements to the system. 2.1.1 User characteristics This section will describe users’ characteristics. The target group of the Culgi GPE consists of computational chemists who may work in a large scale or medium scale company. They need to create efficient simulation programs that simulate the movements of the molecules according to the properties of the modules in a specified environment. And then their simulation programs will be applied to concrete chemistry projects or to specific chemical problems. In general, the people in the target group have the following characteristics. 1) They have a good background in chemistry. They are knowledgeable about molecular simulation, Dissipative Particle Dynamic simulation and so on. 2) They are non-programmers and even never write scripts themselves. They use computers and software packages to help them do the work much more efficiently. 3) They need a program to do the simulation, but they do not want to invest much energy and time on both programming and learning to programming. What they want is to build a simulation program in just a few hours. - 5 -
Page 1: A Graphical Programming Environment
Page 5 and 6: Preface This project started in Sep
Page 7 and 8: Abstract Culgi stands for Chemistry
Page 9 and 10: Contents Abstract..................
Page 11 and 12: Chapter 1 Introduction Culgi stands
Page 13: elationship model (see Figure 1-3).
Page 17 and 18: loop in which users only need to sp
Page 19 and 20: Primary actor: -Simulation Program
Page 21 and 22: Req04 Select a module in the librar
Page 23 and 24: Chapter 3 Design Models In chapter
Page 25 and 26: also generates the same result as (
Page 27 and 28: 3.3 The Concept Editor 3.3.1 Descri
Page 29 and 30: (a) Step1 Build Box Step2 Create Vi
Page 31 and 32: 3.5.1 Multi view of modules In the
Page 33 and 34: 3.5.2 Various widgets to display a
Page 35 and 36: a correct order. These source codes
Page 37 and 38: Chapter 4 Implementation of the Cul
Page 39 and 40: library. Meanwhile, the interface p
Page 41 and 42: For example, in Figure 3-5(b), the
Page 43 and 44: The Module Editor is a tool for cre
Page 45 and 46: corresponding operations. Figure 4-
Page 47 and 48: The second problem is about how to
Page 49 and 50: sequence. From these approaches, we
Page 51 and 52: Chapter 5 Results and Test The prev
Page 53 and 54: (a) Before click. (b) After an item
Page 55 and 56: instance of the module setDPDEnviro
Page 57 and 58: (a) Make only “Oil” visible (b)
Page 59 and 60: Feedbacks from the novices of Culgi
Page 61 and 62: Chapter 6 Conclusion The goal of th
Page 63 and 64: Chapter 7 Bibliography [1] Craig La
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Appendix A. Class Diagrams Figure A
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Figure A-4 Class Diagram of “Sequ
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Appendix B. Tables Table B-1 Functi
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Table B-3 Functionalities of Class
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Table B-5 Functionalities of class
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Table B-7 Properties of input param
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Appendix C. DPD Simulation # DPD Si
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$plot SetSize 400 400 $plot Load My
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Master's Thesis - Computer Graphics and Visualization - TU Delft

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