有机化合物物性估算系统软件的开发(Ⅱ)——软件的建立及结构

Software Development of Physical Property Estimation System for Organic Compound ——Setup and Structure of Software

主要介绍了有机化合物物性估算系统软件的建立及其结构。系统采用结构化设计,由基础物性数据库和有机物性估算两大部分组成。其中有机物性估算是核心部分,它又分解为用户输入、物性估算、结果输出三个模块,而物性估算模块又按估算功能再次细分为多个子模块。这样对系统进行有效的分解,有利于保持各部分之间的相对独立,使软件结构清晰简洁,同时也方便了日后软件的维护。软件界面友好、操作方便、通用性强。

This article mainly introduces the establishment and structure of physical property estimation system for organic compound.System adopts structural design.It is composed of basic physical property database and organic compound estimation.Organic compound estimation is the core,which is divided into three modules,namely user input,physical property estimation and result output.Physical property estimation module can be divided into several submodules according to its function.Software structure is clear.It is easy for maintenance in the future.Software is easy for operation with friendly interface.