User interface generator

The specification formalism should provide an easy-to-leam textual user interface and it should also provide an equivalent graphical user interface, generated with the help of state-of-the-art tools. 

There is no one best way to specify geometry. Usually, a Z-matrix is best for specifying symmetry constraints if properly constructed. Cartesian coordinate input is becoming more prevalent due to its ease of generation by graphical user interface programs. 

To address these issues regarding adequate structural searching in CHIRBASE, some facilities have been recently added to the user interface. The result is the automatic generation and search of strategic 2D query structures defined with the help of the following commands (Fig. 4-5) ... 

Computational fluid dynamics (CFD) programs are more specialized, and most have been designed to solve sets of equations that are appropriate to specific industries. They can then include approximations and correlations for some features that would be difficult to solve for directly. Four major packages widely used are Fluent (http //www.fluent.com/), CFX (now part of ANSYS), Comsol Multiphysics (formerly FEMLAB) (http //www.comsol.com/), and ANSYS (http //www.ansys.com/). Of these, Comsol Multiphysics is particularly useful because it has a convenient graphical-user interface, permits easy mesh generation and refinement (including adaptive mesh refinement), allows the user to add phenomena and equations easily, permits solution by continuation methods (thus enhancing... 

The programs are written modular. The reader can replace the artificial data, generated by a function, with real data from the lab. There is extensive use of graphical output. While the plots are minimal they efficiently illustrate the results of the analyses. In order to keep the programs concise, no effort was made to build comfortable user-interfaces. 

Despite these advancements in chromatographic data processing, peak detection and integration algorithms were crude, the user interface was cumbersome, and there was very little flexibility in the types of reports that these systems could generate. 

Like the similarity protocol, the user interface for the Pipeline Pilot SSS protocol supports multiple databases and multiple probes in a single query. The input of the probe molecule(s) is accomplished using a SD file, which can be generated in most standard chemical drawing programs. This file is supplied as one of the inputs in the SSS interface. The use of identification numbers is not as applicable here as it is in the case of the similarity protocol since we are most likely not using existing molecules as substructures. Consequently, textbox input is not an option nor is the upload of a list of numbers in CSV or Excel format. 

The system can be controlled manually or by a S1MAT1C S7-300 (Siemens) control system. The latter configuration allows one to adjust all parameters by a user interface. To generate different programs all data can be stored, externally edited and loaded again to execute. All measured data are available online and they can also be stored, exported to an editable file or printed directly (Figure 4.27). 

The elements described above are places where new modeling elements are designed and their values are displayed. The displayed elements are associated with the modeling elements and provide the user interface through which the user can access all the information generated during the design process. Those elements are presented below. 

Solution adaptive mesh refinement is another powerful feature that enables faster and more-accurate results. This method allows the user to modify the grid interactively based on intermediate solutions so that grid points can be put where they are required and can make the most contribution to the solution accuracy. Although not new, solution adaptive mesh refinement has become increasingly easy to use due to more-sophisticated user interfaces and the ability to handle hybrid meshes in the new generation of CFD packages. 

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