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QuBiLS-MIDAS: A Parallel Free-Software for Molecular Descriptors Computation Based on Multilinear Algebraic Maps

JOURNAL OF COMPUTATIONAL CHEMISTRY 2014年第18期35卷 1395-1409页

作者： Garcia-Jacas, Cesar R. Marrero-Ponce, Yovani Acevedo-Martinez, Liesner Barigye, Stephen J. Valdes-Martini, Jose R. Contreras-Torres, Ernesto Univ Ciencias Informat Ctr Estudio Matemat Computac Grp Invest Bioinformat Havana Cuba Univ Cent Martha Abreu Villas Unit Comp Aided Mol Biosil Discovery Santa Clara 54830 Villa Clara Cuba Univ Cent Martha Abreu Villas Fac Chem Pharm Bioinformat Res CAMD BIR Unit Santa Clara 54830 Villa Clara Cuba Univ Valencia Inst Univ Ciencia Mol E-46071 Valencia Spain Univ Cartagena Fac Quim Farmaceut Cartagena De Indias Bolivar Colombia Kampala Int Univ Sch Pharm Bushenyi Uganda Univ Cent Martha Abreu Villas Fac Matemat Ctr Estudios Informat CEI Fis & Computac Santa Clara 54830 Villa Clara Cuba

The present report introduces the QuBiLS-MIDAS software belonging to the ToMoCoMD-CARDD suite for the calculation of three-dimensional molecular descriptors (MDs) based on the two-linear (bilinear), three-linear, and four-linear (multilinear or N-linear) algebraic forms. Thus, it is unique software that computes these tensor-based indices. These descriptors, establish relations for two, three, and four atoms by using several (dis) similarity metrics or multimetrics, matrix transformations, cutoffs, local calculations and aggregation operators. The theoretical background of these N-linear indices is also presented. The QuBiLS-MIDAS software was developed in the java programming language and employs the Chemical Development Kit library for the manipulation of the chemical structures and the calculation of the atomic properties. This software is composed by a desktop user-friendly interface and an Abstract Programming Interface library. The former was created to simplify the configuration of the different options of the MDs, whereas the library was designed to allow its easy integration to other software for chemoinformatics applications. This program provides functionalities for data cleaning tasks and for batch processing of the molecular indices. In addition, it offers parallel calculation of the MDs through the use of all available processors in current computers. The studies of complexity of the main algorithms demonstrate that these were efficiently implemented with respect to their trivial implementation. Lastly, the performance tests reveal that this software has a suitable behavior when the amount of processors is increased. Therefore, the QuBiLS-MIDAS software constitutes a useful application for the computation of the molecular indices based on N-linear algebraic maps and it can be used freely to perform chemoinformatics studies. (C) 2014 Wiley Periodicals, Inc.

关键词： TOMOCOMD-CARDD QuBiLS-MIDAS 3D N-linear indices N-tuple spatial-(dis)similarity matrix N-tuple simple stochastic double stochastic and mutual probability matrices java language chemical development kit speed up scalability

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An analyzable annotation language

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ACM SIGPLAN NOTICES 2002年第11期37卷 231-245页

作者： Khurshid, S Marinov, D Jackson, D MIT Comp Sci Lab Cambridge MA 02139 USA

The Alloy Annotation language (AAL) is a language (under development) for annotating java code based on the Alloy modeling language. It offers a syntax similar to the java Modeling language (JML), and the same opportunities for generation of run-time assertions. In addition, however, AAL offers the possibility of fully automatic compile-time analysis. Several kinds of analysis are supported, including: checking the code of a method against its specification;checking that the specification of a method in a subclass is compatible with the specification in the superclass;and checking properties relating method calls on different objects, such as that the equals methods of a class (and its overridings) induce an equivalence. Using partial models in place of code, it is also possible to analyze object-oriented designs in the abstract: investigating, for example, a view relationship amongst objects. The paper gives examples of annotations and such analyses. It presents (informally) a systematic translation of annotations into Alloy, a simple first-order logic with relational operators. By doing so, it makes Alloy's automatic analysis, which is based on state-of-the-art SAT solvers, applicable to the analysis of object-oriented programs, and demonstrates the power of a simple logic as the basis for an annotation language.

关键词： verification languages specification language java language alloy modeling language alloy analyzer compile-time analysis

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An online Virtual Laboratory of electricity

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INTERNATIONAL JOURNAL OF DISTANCE EDUCATION TECHNOLOGIES 2008年第2期6卷 21-34页

作者： Gomez Tejedor, J. A. Molto Martinez, G. Barros Vidaurre, C. Univ Politecn Valencia Phys Comp Sci Valencia Spain Univ Politecn Valencia High Performance Networking & Comp Grp Valencia Spain Univ Politecn Valencia Valencia Spain

In this article, we describe a java-based virtual laboratory, accessible via the Internet by means of a Web browser. This remote laboratory enables the students to build both direct and alternating current circuits. The program includes a graphical user interface which resembles the connection board, and also the electrical components and tools that are used in a real laboratory to build electrical circuits. Emphasis has been placed on designing access patterns to the virtual tools as if they were real ones. The virtual laboratory developed in this study allows the lecturer to adapt the behaviour and the principal layout of the different practical sessions during a course. This flexibility enables the tool to guide the student during each practical lesson, thus enhancing self-motivation. This study is an application of new technologies for active learning methodologies, in order to increase both the self-learning and comprehension of the students. This virtual laboratory is currently accessible at http://***/jogomez/labvir/ (in Spanish).

关键词： electronic circuit simulation electronic learning (e-learning) online laboratory physics for computer science java language simulation system virtual laboratory

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Research and Design of a Small Distributed Key-Value Database based java

International Core Journal of Engineering

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International Core Journal of Engineering 2022年第8期8卷 666-672页

作者： Zhenenji Shao

The main research content of this article is to design and implement a Key-Value database management system that simply runs completely in memory, and to provide it with a simple master-slave mode implementation. It mainly optimizes the threading model of Redis, retains the clever single-threaded data structure of Redis, and reduces the load of consumer threads under the premise of ensuring thread safety. At the same time, the utilization rate of multi-core CPUs is improved and the waste of hardware resources is reduced.

关键词： Redis Database Netty Framework java language

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Beginning Programming with java For Dummies, 4th Edition 4

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丛书名： For Dummies

2014年

作者： Barry Burd

ISBN: (数字)9781118461068

ISBN: (纸本)9781118407813

Enter the Swift future of iOS and OS X programming Beginning Swift Programming is your ideal starting point for creating Mac, iPhone, and iPad apps using Apple's new Swift programming language. Written by an experienced Apple developer and trainer, this comprehensive guide explains everything you need to know to jumpstart the creation of your app idea. Coverage includes data types, strings and characters, operators and functions, arrays and dictionaries, control flow, and looping, with expert guidance on classes, objects, class inheritance, closures, protocols, and generics. This succinct yet complete overview provides a detailed introduction to the core features of Swift. Apple developed Swift to address the limitations of Objective-C, and add features found in more complex languages like Python. The results is simpler, cleaner, more expressive code with automatic memory management, functional programming patterns, and more, including built-in features that make Swift apps faster, scalable, and more secure. This book explains it all, helping developers master Apple's new language. Become fluent with syntax that's easier to read and maintain Understand inferred types for cleaner, less mistake-prone code Learn the key features that make Swift more expressive than Objective-C Learn the new optional types in Swift that make your code more resilient Understand the key design patterns in iOS and Mac OS programming using protocols and delegates Learn how to use generics to create highly reusable code Learn the new access controls mechanism in Swift Get up to speed quickly to remain relevant and ahead of the curve.

关键词： Beginning Programming with java For Dummies, 4th Edition Barry Burd learning java java 8 java update beginner java beginner coding java for beginners java programming cloud programing Android programming how to code how to program how to use java java language Android developing app development app dev app developing java For Dummies self-teach java java tutorial java help java text java instruction java reference java development learning java programming for beginners basic java basic programming java self-help

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The remote monitoring and controlling via the GSM network GPRS data transfer

The remote monitoring and controlling via the GSM network GP...

引用

17th International Symposium of the Danube-Adria-Association-for-Automation-and-Manufacturing

作者： Matysek, M. Adamek, M. Neumann, P. Hamrlicek, J.

The aim of this work was to design and apply a remote access by means of a mobile phone running the java based application routine. That java mobile phone routine communicates with the controlled and monitored system ... 详细信息

ISBN: (纸本)9783901509575

关键词： remote monitoring and controlling GSM mobile phone GPRS data transfer java language XML data structures

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An analyzable annotation language 02

An analyzable annotation language

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Proceedings of the 17th ACM SIGPLAN conference on Object-oriented programming, systems, languages, and applications

作者： Sarfraz Khurshid Darko Marinov Daniel Jackson Massachusetts Institute of Technology Cambridge MA

ISBN: (纸本)9781581134711

The Alloy Annotation language (AAL) is a language (under development) for annotating java code based on the Alloy modeling language. It offers a syntax similar to the java Modeling language (JML), and the same opportunities for generation of run-time assertions. In addition, however, AAL offers the possibility of fully automatic compile-time analysis. Several kinds of analysis are supported, including: checking the code of a method against its specification; checking that the specification of a method in a subclass is compatible with the specification in the superclass; and checking properties relating method calls on different objects, such as that the equals methods of a class (and its overridings) induce an equivalence. Using partial models in place of code, it is also possible to analyze object-oriented designs in the abstract: investigating, for example, a view relationship amongst *** paper gives examples of annotations and such analyses. It presents (informally) a systematic translation of annotations into Alloy, a simple first-order logic with relational operators. By doing so, it makes Alloy's automatic analysis, which is based on state-of-the-art SAT solvers, applicable to the analysis of object-oriented programs, and demonstrates the power of a simple logic as the basis for an annotation language.

关键词： java language specification language compile-time analysis alloy analyzer alloy modeling language

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Object persistence in java 03

Object persistence in Java

引用

Proceedings of the 2nd international conference on Principles and practice of programming in java

作者： Tom Lunney Aidan McCaughey University of Ulster Londonderry

Object persistence in java is first introduced and basic object persistence is demonstrated via exemplars that address both applications and applets. We then proceed to consider java language persistence and overview ... 详细信息

ISBN: (纸本)9780954414511

关键词： remote method invocation java language java Object Serialization orthogonal persistence

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The Development of Intelligent Mobile Phone Game Based on Android System

The Development of Intelligent Mobile Phone Game Based on An...

引用

2013 International Conference on Microtechnology and MEMS(ICMM 2013)

作者： Shi Yiping Wang Hong College of Electrical & Electronic Engineering Shanghai University of Engineering Science

Based on the snake game,this paper introduces the software development process of the intelligent mobile phone game on Android *** software development of intelligent mobile phone game has important significance for developers to set their own special products conveniently,to reduce the cost of development and to meet the demand of growing mobile customer.

关键词： Android system java language Intelligent mobile phone Snake game

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Safely creating correct subclasses without seeing superclass code 00

Safely creating correct subclasses without seeing superclass...

引用

Proceedings of the 15th ACM SIGPLAN conference on Object-oriented programming, systems, languages, and applications

作者： Clyde Ruby Gary T. Leavens Department of Computer Science Iowa State University 226 Atanasoff Hall Ames IA

ISBN: (纸本)9781581132007

A major problem for object-oriented frameworks and class libraries is how to provide enough information about a superclass, so programmers can safely create new subclasses without giving away the superclass's code. Code inherited from the superclass can call down to methods of the subclass, which may cause nontermination or unexpected behavior. We describe a reasoning technique that allows programmers, who have no access to the code of the superclass, to determine both how to safely override the superclass's methods and when it is safe to call them. The technique consists of a set of rules and some new forms of specification. Part of the specification would be generated automatically by a tool, a prototype of which is planned for the formal specification language JML. We give an example to show the kinds of problems caused by method overrides and how our technique can be used to avoid them. We also argue why the technique is sound and give guidelines for library providers and programmers that greatly simplify reasoning about how to avoid problems caused by method overrides.

关键词： subclassing contract method refinement semantic fragile subclassing problem java language downcalls specification inheritance JML language subclass

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