PORT OF NON LINEAR LEAST SQUARES & 1D SIMULATION SOFTWARE TO WINDOWS OS

非线性最小二乘法的端口

• 批准号: 8363930
• 负责人: KEITH A EARLE
• 金额: $ 0.14万
• 依托单位: CORNELL UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-09-01 至 2012-08-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8363930
• 关键词: Code; Communities; Computer software; Environment; Feedback; Funding; Grant; Language; Least-Squares Analysis; National Center for Research Resources; Operating System; Principal Investigator; Process; Public Domains; Pythons; Research; Research Infrastructure; Research Personnel; Resources; Running; Site; Source; Source Code; Suggestion; System; Technology; Testing; Time; United States National Institutes of Health; Writing; base; cost; experience; programs; simulation; simulation software

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. With the growing acceptance of cygwin and other public-domain packages such as python and perl/tk as a versatile and extendable programming environment for the windows operating system, we have undertaken a port of some of our most commonly used simulation and non-linear least-squares (NLLS) fitting routines to the windows OS. We have done so in order to facilitate their dissemination amongst the ESR community, many of whom use the windows OS. This is particularly important for the NLLS fitting routines with graphical display of the spectrum and fit that we use with our 1D spectra. The original package was written for the X-windows system and the unix operating system. In order to facilitate the graphics calls within windows, we have largely completed a rewrite of the graphics intensive parts of the code using perl/tk. The user interface is also being rewritten in python as experience has shown that this interpreted language offers significant advantages for testing and debugging. From the user¿s perspective, the entire package consisting of the source code and makefile will compile and run "out of the box" without additional effort by the researcher, once the public domain cygwin, perl/tk and python packages are installed. In order to facilitate the dissemination of these new software packages, we will place them on the center's ftp site, accessible through our homepage, when the package is stable enough for extensive dissemination. We are also in the process of incorporating suggestions for improvements in the software package based on feedback from users in the ESR community. As time and resources permit, we will port these simulation and fitting packages to the macintosh OS.

该子项目是利用资源的众多研究子项目之一 由 NIH/NCRR 资助的中心拨款提供。子项目的主要支持 并且子项目的主要研究者可能是由其他来源提供的， 包括其他 NIH 来源。 子项目可能列出的总成本 代表子项目使用的中心基础设施的估计数量， NCRR 赠款不直接向子项目或子项目工作人员提供资金。 随着 cygwin 和其他公共领域软件包（例如 python 和 perl/tk）作为 Windows 操作系统的通用且可扩展的编程环境的接受度不断提高，我们已将一些最常用的模拟和非线性最小二乘 (NLLS) 拟合例程移植到 Windows 操作系统。 我们这样做是为了促进它们在 ESR 社区中传播，其中许多人使用 Windows 操作系统。 这对于具有光谱图形显示的 NLLS 拟合例程以及我们与一维光谱一起使用的拟合尤其重要。 原始包是为 X-windows 系统和 unix 操作系统编写的。为了方便windows内的图形调用，我们基本上完成了使用perl/tk对图形密集部分代码的重写。用户界面也用 python 重写，因为经验表明这种解释性语言为测试和调试提供了显着的优势。从用户的角度来看，一旦安装了公共域 cygwin、perl/tk 和 python 软件包，由源代码和 makefile 组成的整个软件包将“开箱即用”编译和运行，而无需研究人员进行额外的工作。 为了促进这些新软件包的传播，当软件包足够稳定以进行广泛传播时，我们会将它们放置在中心的 ftp 站点上，可以通过我们的主页访问。 我们还正在根据 ESR 社区用户的反馈，将改进建议纳入软件包中。 如果时间和资源允许，我们会将这些模拟和拟合包移植到 Macintosh 操作系统中。