Chapter

Theory and Practice of Model Transformations

Volume 7909 of the series Lecture Notes in Computer Science pp 52-53

The Graph Grammar Library - A Generic Framework for Chemical Graph Rewrite Systems

  • Martin MannAffiliated withBioinformatics, Institut for Computer Science, University of Freiburg
  • , Heinz EkkerAffiliated withInstitute for Theoretical Chemistry, University of Vienna
  • , Christoph FlammAffiliated withInstitute for Theoretical Chemistry, University of Vienna

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Abstract

Graph rewrite systems are powerful tools to model and study complex problems in various fields of research [7]. Their successful application to chemical reaction modelling on a molecular level was shown [1,2,6] but no appropriate and simple system is available at the moment [8]. The Graph Grammar Library (GGL), presented in this contribution and more extensively in [4], fills this gap and provides feature-rich functionality especially for chemical transformation.

The GGL implements a simple generic Double Push Out approach for general graph rewrite systems [7] on labeled undirected graphs. The object oriented C++ framework focuses on a high level of modularity as well as high performance, using state-of-the-art algorithms and data structures, and comes with extensive end user and API documentation. Central modules (e.g. graph matching, match handling, graph storage) are combined via simple interfaces, which enables an easy combining to tackle the problem at hand.