The Preliminary Design And Implementation Of Syntax Specification For Unified Job-Description Language On Chemical-Grid

Computer chemistry is a discipline that is to apply computer technology to research problems of chemistry,and computer chemistry is at the time of rapid development and constantly evolvement because it is highly impacted by computer and network communication technology. With the problem of computational chemisrey being more and more complex, chemists have to resolve problems by collaboration among the chemistry software resources.Grid technology provide high-performance distributed computing environment for scientific research, to deploy a variety of computational chemistry software in to the grid, chemists will get a well scientific research environment to coordinatly solve chemistry problem. However, with the continuous development of computational chemistry discipline, variety of chemical softaware are developed, the script languages of these softaware have different styles, chemists have to master the language of these softaware when using them,which has largely limited the application of chemistry software and has become an obstacle of computational chemistry. For this problem,we propose a language that is called Unified Job-Description Language on Chemical-Grid which brifly called UDLC,UDLC not only can meet the requirenment of chemical grid,but also can easily describe the knowledge of computational chemistry and also can largely meet the characteristics of chemists. When face to multiple resources applications,UDLC can be easily converted to the corresponding resources language which can easily help chemists get out from the complicated language learning.In order to make chemists conveiniently describe multifarious chemistry-knowledge,the UDLC would have altitudinal abstraction,unification and integrality.To design UDLC language,three major problems would be solved:firstly,to design UDLC syntax specification;secondly,to implement UDLC semantic;lastly,to implement the interaction between UDLC and Grid. This paper is to design and implement syntax specification for UDLC. In this paper, the knowledge of computational chemistry is researched firstly and the computational chemical feature model is built; Then the feature model is described by the Extended Backus Normal Form, meanwhile,the grammar of UDLC-Job type and work flow control are added into the feature model syntax, finally the primary UDLC syntax grammar is built;Lastly,this paper uses ANTLR to design lexical analyzer and syntax parser of UDLC,and gives the practical application of UDLC language.