BeETLe: Herramienta ETL geo-espacial libre

Las herramientas ETL (Extract, Transform, Load – extraer, transformar, cargar) permiten modelizar flujos de datos, facilitando la ejecución automática de procesos repetitivos. El intercambio de información entre dos modelos de datos heterogéneos es un claro ejemplo del tipo de tareas que pueden abordarse con software ETL. El proyecto Kettle es una herramienta ETL con licencia LGPL (Library General Public License) que utiliza técnicas de computación grid (ejecución paralela y distribuida) para poder procesar grandes cantidades de datos en un tiempo reducido. Kettle combina una potente ejecución en modo servidor con una intuitiva herramienta de escritorio para modelar los procesos y configurar los parámetros de ejecución. GeoKettle es una extensión de Kettle, que añade la posibilidad de tratar datos con componente geográfica, si bien está limitado a datos vectoriales y a ciertas operaciones espaciales muy concreta. El Centro Temático Europeo de Usos del Suelo e Información Espacial (ETC-LUSI) está impulsando un proyecto complementario, llamado BeETLe, que pretende ampliar drásticamente las capacidades de análisis y transformación espacial de GeoKettle. Para ello se ha elegido el proyecto Sextante, una librería de análisis espacial que incluye más de doscientos algoritmos ráster y vectoriales. La intención del proyecto BeETLe es integrar el conjunto de algoritmos de Sextante en GeoKettle, de forma que estén disponibles como transformaciones de GeoKettle. Las principales características de la herramienta BeETLe incluyen: automatización de procesos de análisis espacial o de transformaciones repetitivas de datos espaciales, ejecución paralela y distribuida (grid computing), capacidad para procesar grandes cantidades de datos sin limitaciones de memoria, y soporte de datos ráster y vectorial. Los usuarios actuales de Sextante descubrirán que BeETLe les propone una forma de trabajo sencilla e intuitiva, que añade a Sextante toda la potencia que ofrecen las herramientas ETL para procesar y transformar información en bases de datos

WMR navigation using local potential field corridors and narrow local occupancy grid perception

Path planning and control strategies applied to autonomous mobile robots should fulfil safety rules as well as achieve final goals. Trajectory planning applications should be fast and flexible to allow real time implementations as well as environment interactions. The methodology presented uses the on robot information as the meaningful data necessary to plan a narrow passage by using a corridor based on attraction potential fields that approaches the mobile robot to the final desired configuration. It employs local and dense occupancy grid perception to avoid collisions. The key goals of this research project are computational simplicity as well as the possibility of integrating this method with other methods reported by the research community. Another important aspect of this work consist in testing the proposed method by using a mobile robot with a perception system composed of a monocular camera and odometers placed on the two wheels of the differential driven motion system. Hence, visual data are used as a local horizon of perception in which trajectories without collisions are computed by satisfying final goal approaches and safety criteria

Computing Distance Functions from Generalized Sources on Weighted Polyhedral Surfaces

We present algorithms for computing approximate distance functions and shortest paths from a generalized source (point, segment, polygonal chain or polygonal region) on a weighted non-convex polyhedral surface in which obstacles (represented by polygonal chains or polygons) are allowed. We also describe an algorithm for discretizing, by using graphics hardware capabilities, distance functions. Finally, we present algorithms for computing discrete k-order Voronoi diagrams

Critical thoughts on computing atom condensed Fukui functions

Different procedures to obtain atom condensed Fukui functions are described. It is shown how the resulting values may differ depending on the exact approach to atom condensed Fukui functions. The condensed Fukui function can be computed using either the fragment of molecular response approach or the response of molecular fragment approach. The two approaches are nonequivalent; only the latter approach corresponds in general with a population difference expression. The Mulliken approach does not depend on the approach taken but has some computational drawbacks. The different resulting expressions are tested for a wide set of molecules. In practice one must make seemingly arbitrary choices about how to compute condensed Fukui functions, which suggests questioning the role of these indicators in conceptual density-functional theory

A systematic and feasible method for computing nuclear contributions to electrical properties of polyatomic molecules

An analytic method to evaluate nuclear contributions to electrical properties of polyatomic molecules is presented. Such contributions control changes induced by an electric field on equilibrium geometry (nuclear relaxation contribution) and vibrational motion (vibrational contribution) of a molecular system. Expressions to compute the nuclear contributions have been derived from a power series expansion of the potential energy. These contributions to the electrical properties are given in terms of energy derivatives with respect to normal coordinates, electric field intensity or both. Only one calculation of such derivatives at the field-free equilibrium geometry is required. To show the useful efficiency of the analytical evaluation of electrical properties (the so-called AEEP method), results for calculations on water and pyridine at the SCF/TZ2P and the MP2/TZ2P levels of theory are reported. The results obtained are compared with previous theoretical calculations and with experimental values