GraSPI: Extensible software for the graph-based quantification of morphology in organic electronics
GraSPI: Extensible software for the graph-based quantification of morphology in organic electronics
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DOI：
10.1016/j.softx.2021.100969
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发表时间：
2022-01
期刊：
影响因子：
3.4
通讯作者：
Devyani Jivani;J. Zola;B. Ganapathysubramanian;O. Wodo
中科院分区：
文献类型：
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作者：
Devyani Jivani;J. Zola;B. Ganapathysubramanian;O. Wodo
我们描述了GraSPI-可扩展的基于图形的软件实现为一个C/C++包。GraSPI计算了一个大的描述符相关的有机电子给定一个分段的2D或3D微观结构。该软件包将微结构表示为等效图，并利用图论算法有效地计算这些描述符。它还包括一套工具，用于在各种格式之间转换数据，并对图形分析的原始结果进行后处理。在这里，我们提供了说明性的例子ofGraSPI的能力，在提取微观结构描述符，并证明了基于图形的方法提供通过计算复杂性分析的优势。
We describeGraSPI- extensible graph-based software implemented as a C/C++ package.GraSPIcomputes a large set of descriptors relevant to organic electronics given a segmented 2D or 3D microstructure. The package represents a microstructure as an equivalent graph and harnesses algorithms from graph theory to compute those descriptors efficiently. It also includes a suite of tools for converting data between various formats and post-processing the raw results from the graph analysis. Herein, we provide illustrative examples ofGraSPI’s capabilities in extracting microstructure descriptors and demonstrate the advantages that a graph-based approach affords via computational complexity analysis.