Tech 519V - Semester Project Proposal

Student: Leif Delgass, Purdue University
Session: Fall 2004

Problem Description

The Envision Center for Data Perceptualization is tasked with developing visualizations for Purdue Chemical Engineering's Catalyst Design by Discovery Informatics project. The purpose of the project is to compile a database of experimental data and computational quantum chemical results and to utilize this resource for research in catalyst design.

The visualization application will be used to view 3D molecular structures, statistical data, and dynamics simulations. Currently, a portion of the molecular structure visualization application is functional. Because of the increasing number of options for display, and the need to work with multiple data files, a menu system is needed to allow users to change parameters and to load and save data files.

Proposed Solution

I intend to add a menu system to the visualization application that will allow users to modify display parameters and to load and save data and options. Specific features that could be implemented are listed in the next section. Goals for a successful solution are as follows:

  • The system should be easy to understand and use.
  • The system should allow the scene to be viewed while changing display parameters, so menus should occlude the environment as little as possible.
  • The system should be comfortable to operate in order to avoid fatigue.
  • Explore positioning menus relative to user's body (head or hands)


Current molecular orbital visualization tool

Proposed Features/Menu Items

Display Options

File Operations

Other possible enhancements if time permits

Implementation Issues

Font Rendering

Most likely the fonts will be implemented as texture fonts using FreeType or a FreeType wrapper for OpenGL. Thread safety of available libraries is an issue that will determine which libraries could be used. Glyphs could be rendered offline or rendered when needed and cached for later use.

References

Bowman, D. and Wingrave, C. Design and Evaluation of Menu Systems for Immersive Virtual Environments. Proceedings of IEEE Virtual Reality, 2001, pp. 149-156.

Mine, M., Brooks Jr., F. P. and Sequin, C. Moving Objects in Space: Exploiting Proprioception In Virtual-Environment Interaction. Proceedings of SIGGRAPH 97, 1997, pp. 19-26.

Caruthers, J. M., Lauterbach, J. A., Thomson, K. T., Venkatasubramanian, V., Snively, C. M., Bhan, A., Katare, S. and Oskarsdottir, G. Catalyst Design: Knowledge Extraction from High Throughput Experimentation. Journal of Catalysis, Vol. 216, 2003, pp. 98-109.