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DOE OSTI2023

MILK : a Python scripting interface to MAUD for automation of Rietveld analysis

Modern diffraction experiments ( e.g. in situ parametric studies) present scientists with many diffraction patterns to analyze. Interactive analyses via graphical user interfaces tend to slow down obtaining quantitative results such as lattice parameters and phase fractions. Furthermore, Rietveld refinement strategies ( i.e. the parameter turn-on-off sequences) tend to be instrument specific or even specific to a given dataset, such that selection of strategies can become a bottleneck for efficient data analysis. Managing multi-histogram datasets such as from multi-bank neutron diffractometers or caked 2D synchrotron data presents additional challenges due to the large number of histogram-specific parameters. To overcome these challenges in the Rietveld software Material Analysis Using Diffraction ( MAUD ), the MAUD Interface Language Kit ( MILK ) is developed along with an updated text batch interface for MAUD . The open-source software MILK is computer-platform independent and is packaged as a Python library that interfaces with MAUD . Using MILK , model selection ( e.g. various texture or peak-broadening models), Rietveld parameter manipulation and distributed parallel batch computing can be performed through a high-level Python interface. A high-level interface enables analysis workflows to be easily programmed, shared and applied to large datasets, and external tools to be integrated with MAUD . Through modification to the MAUD batch interface, plot and data exports have been improved. The resulting hierarchical folders from Rietveld refinements with MILK are compatible with Cinema: Debye–Scherrer , a tool for visualizing and inspecting the results of multi-parameter analyses of large quantities of diffraction data. In this manuscript, the combined Python scripting and visualization capability of MILK is demonstrated with a quantitative texture and phase analysis of data collected at the HIPPO neutron diffractometer.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2003

HEASARC Software Archive

(1) Chandra Archive: SAO has maintained the interfaces through which HEASARC gains access to the Chandra Data Archive. At HEASARC's request, we have implemented an anonymous ftp copy of a major part of the public archive and we keep that archive up-to- date. SAO has participated in the ADEC interoperability working group, establishing guidelines or interoperability standards and prototyping such interfaces. We have provided an NVO-based prototype interface, intending to serve the HEASARC-led NVO demo project. HEASARC's Astrobrowse interface was maintained and updated. In addition, we have participated in design discussions surrounding HEASARC's Caldb project. We have attended the HEASARC Users Group meeting and presented CDA status and developments. (2) Chandra CALDB: SA0 has maintained and expanded the Chandra CALDB by including four new data file types, defining the corresponding CALDB keyword/identification structures. We have provided CALDB upgrades for the public (CIAO) and for Standard Data Processing. Approximately 40 new files have been added to the CALDB in these version releases. There have been in the past year ten of these CALDB upgrades, each with unique index configurations. In addition, with the inputs from software, archive, and calibration scientists, as well as CIAO/SDP software developers, we have defined a generalized expansion of the existing CALDB interface and indexing structure. The purpose of this is to make the CALDB more generally applicable and useful in new and future missions that will be supported archivally by HEASARC. The generalized interface will identify additional configurational keywords and permit more extensive calibration parameter and boundary condition specifications for unique file selection. HEASARC scientists and developers from SAO and GSFC have become involved in this work, which is expected to produce a new interface for general use within the current year. (3) DS9: One of the decisions that came from last year's HEADCC meeting was to make the ds9 image display program the primary vehicle for displaying line graphics (as well as images). The first step required to make this possible was to enhance the line graphics capabilities of ds9. SAO therefore spent considerable effort upgrading ds9 to use Tcl 8.4 so that the BLT line graphics package could be built and imported into ds9 from source code, rather than from a pre-built (and generally outdated) shared library. This task, which is nearly complete, allows us to extend BLT as needed for the HEAD community. Following HEADCC discussion concerning archiving and the display of archived data, we extended ds9 to support full access to many astronomical Web-based archives sites, including HEASARC, MAST, CHANDRA, SKYVIEW, ADS, NED, SIMBAD, IRAS, NVRO, SAO TDC, and FIRST. Using ds9's new internal Web access capabilities, these archives can be accessed via their Web page. FITS images, plots, spectra, and journal abstracts can be referenced, down-loaded, and displayed directly and easily in ds9. For more information, see: http://hea-www.harvard.edu/saord/ds9. Also after the HEADCC discussion concerning region filtering, we extended the Funtools sample implementation of region filtering as described in: http://hea-www.harvard.edu/saord/funtools/regions.html. In particular, we added several new composite regions for event and image filtering, including elliptical and box annuli. We also extended the panda (Pie AND Annulus) region support to include box pandas and elliptical pandas. These new composite regions are especially useful in programs that need to count photons in each separate region using only a single pass through the data. Support for these new regions was added to ds9. In the same vein, we developed new region support for filtering images using simple FITS image masks, i.e. 8-bit or 16-bit FITS images where the value of a pixel is the region id number for that pixel. Other important enhancements to DS9 this year, include supporor multiple world coordinate systems, three dimensional event file binning, image smoothing, region groups and tags, the ability to save images in a number of image formats (such as JPEG, TIFF, PNG, FITS), improvements in support for integrating external analysis tools, and support for the virtual observatory. In particular, a full-featured web browser has been implemented within D S 9 . This provides support for full access to HEASARC archive sites such as SKYVIEW and W3BROWSE, in addition to other astronomical archives sites such as MAST, CHANDRA, ADS, NED, SIMBAD, IRAS, NVRO, SA0 TDC, and FIRST. From within DS9, the archives can be searched, and FITS images, plots, spectra, and journal abstracts can be referenced, downloaded and displayed The web browser provides the basis for the built-in help facility. All DS9 documentation, including the reference manual, FAQ, Know Features, and contact information is now available to the user without the need for external display applications. New versions of DS9 maybe downloaded and installed using this facility. Two important features used in the analysis of high energy astronomical data have been implemented in the past year. The first is support for binning photon event data in three dimensions. By binning the third dimension in time or energy, users are easily able to detect variable x-ray sources and identify other physical properties of their data. Second, a number of fast smoothing algorithms have been implemented in DS9, which allow users to smooth their data in real time. Algorithms for boxcar, tophat, and gaussian smoothing are supported.

White, Nicholas↗

DOE OSTI2017

High Performance Computing - Power Application Programming Interface Specification Version 2.0.

Measuring and controlling the power and energy consumption of high performance computing systems by various components in the software stack is an active research area. Implementations in lower level software layers are beginning to emerge in some production systems, which is very welcome. To be most effective, a portable interface to measurement and control features would significantly facilitate participation by all levels of the software stack. We present a proposal for a standard power Application Programming Interface (API) that endeavors to cover the entire software space, from generic hardware interfaces to the input from the computer facility manager.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2018

Verifying Interfaces and Generating Interface Control Documents for the Alignment and Phasing Subsystem of the Thirty Meter Telescope from a System Model in SysML

This paper presents a novel method for verifying interfaces and generating interface control documents (ICDs) from a system model in SysMLTM. In systems and software engineering, ICDs are key artifacts that specify the interface(s) to a system or subsystem, and are used to control the documentation of these interfaces. ICDs enable independent teams to develop connecting systems that use the speciﬁed interfaces. In the context of the Thirty Meter Telescope (TMT), interface control documents also act as contracts for delivered subsystems. The Alignment and Phasing system (APS) is one such subsystem. APS is required to implement a particular interface, and formulates requirements for the interfaces to be provided by other components of TMT that interface with APS. As the design of APS matures, these interfaces are frequently reﬁned, making it necessary for related ICDs to be updated. In current systems engineering practice, ICDs are maintained manually. This manual maintenance can lead to a loss in integrity and accuracy of the documents over time, resulting in the documents no longer reﬂecting the actual state of the interfaces of a system. We show how a system model in SysMLTM can be used to generate ICDs automatically. The method is demonstrated through application to interface control documents pertaining to APS. Speciﬁcally, we apply the method to the interface of APS to the primary mirror control system (M1CS) and of APS to the Telescope Control System (TCS). We evaluate the newly introduced method through application to two case studies.

Troy, Mitchell↗

NASA NTRS2011

Flight Planning in the Cloud

This new interface will enable Principal Investigators (PIs), as well as UAVSAR (Uninhabited Aerial Vehicle Synthetic Aperture Radar) members to do their own flight planning and time estimation without having to request flight lines through the science coordinator. It uses an all-in-one Google Maps interface, a JPL hosted database, and PI flight requirements to design an airborne flight plan. The application will enable users to see their own flight plan being constructed interactively through a map interface, and then the flight planning software will generate all the files necessary for the flight. Afterward, the UAVSAR team can then complete the flight request, including calendaring and supplying requisite flight request files in the expected format for processing by NASA s airborne science program. Some of the main features of the interface include drawing flight lines on the map, nudging them, adding them to the current flight plan, and reordering them. The user can also search and select takeoff, landing, and intermediate airports. As the flight plan is constructed, all of its components are constantly being saved to the database, and the estimated flight times are updated. Another feature is the ability to import flight lines from previously saved flight plans. One of the main motivations was to make this Web application as simple and intuitive as possible, while also being dynamic and robust. This Web application can easily be extended to support other airborne instruments.

Flores, Sarah L.↗

NASA NTRS1995

A generic interface element for COMET-AR

The implementation of an interface element capability within the COMET-AR software system is described. The report is intended for use by both users of currently implemented interface elements and developers of new interface element formulations. Guidance on the use of COMET-AR is given. A glossary is provided as an Appendix to this report for readers unfamiliar with the jargon of COMET-AR. A summary of the currently implemented interface element formulation is presented in Section 7.3 of this report.

Mccleary, Susan L.↗

NASA NTRS1997

Development of a Software Safety Process and a Case Study of Its Use

Research in the year covered by this reporting period has been primarily directed toward the following areas: (1) Formal specification of user interfaces; (2) Fault-tree analysis including software; (3) Evaluation of formal specification notations; (4) Evaluation of formal verification techniques; (5) Expanded analysis of the shell architecture concept; (6) Development of techniques to address the problem of information survivability; and (7) Development of a sophisticated tool for the manipulation of formal specifications written in Z. This report summarizes activities under the grant. The technical results relating to this grant and the remainder of the principal investigator's research program are contained in various reports and papers. The remainder of this report is organized as follows. In the next section, an overview of the project is given. This is followed by a summary of accomplishments during the reporting period and details of students funded. Seminars presented describing work under this grant are listed in the following section, and the final section lists publications resulting from this grant.

Knight, J. C.↗

NASA NTRS2019

Testing Fortran Software with pFunit

Over the past two decades, the emergence of highly effective software testing frameworks has greatly simplified the development and use of unit tests and has led to new software development paradigms such as test driven development (TDD). However, technical computing introduces a number of unique testing challenges, including distributed parallelism and numerical accuracy. This webinar will begin with a basic introduction to the use of pFUnit (parallel Fortran Unit testing framework) to develop tests for Message Passing Interface (MPI) plus Fortran (MPI+Fortran) software and then present some of the new capabilities in the latest release. We will also discuss some specialized methodologies for testing numerical algorithms and speculate about future framework capabilities that may improve our ability to test at exascale.

Clune, Tom↗

NASA NTRS1992

Khoros software specification format and interoperability

Khoros defines formats for User Interface Specification (UIS) and Program Specification (PS) files. From such files, its code generator, Ghostwriter, creates source files and documentation. The great advantage of the system is that the code fragments that make up part of the PS file are purely generic. All Khoros-related code is created by the code generator; this includes all user interface code. As a matter of fact, both specification files are very generic in nature. Thus, one could imagine using it as the basis for other software systems. A case is made that writing a code generator that would create IRAF-compatible code from the Khoros UIS and PS files is fairly trivial. Another aspect of the Khoros system conventions concerns the way execution commands are generated by the user interface and the actual syntax of those commands. The protocols are such that interoperability at the level of executable modules is readily possible.

Rots, A. H.↗

NASA NTRS1988

Successful completion of a cyclic ground test of a mercury ion auxiliary propulsion system

An engineering model Ion Auxiliary Propulsion System (IAPS) 8-cm thruster (S/N 905) has completed a life test at NASA Lewis Research Center. The mercury ion thruster successfully completed and exceeded the test goals of 2557 on/off cycles and 7057 hr of operation at full thrust. The final 1200 cycles and 3600 hr of the life test were conducted using an engineering model of the IAPS power electronics unit (PEU) and breadboard digital controller and interface unit (DCIU). This portion of the test is described in this paper with a charted history of thruster operating parameters and off-normal events. Performance and operating characteristics were constant throughout the test with only minor variations. The engineering model power electronics unit operated without malfunction; the flight software in the digital controller and interface unit was exercised and verified. Post-test inspection of the thruster revealed facility enhanced accelerator grid erosion but overall the thruster was in good condition. It was concluded that the thruster performance was not drastically degraded by time or cycles. Additional cyclic testing is currently under consideration.

Francisco, David R.↗

NASA NTRS1988

Successful completion of a cyclic ground test of a mercury Ion Auxiliary Propulsion System

Francisco, David R.↗

NASA NTRS2011

3D Orbit Visualization for Earth-Observing Missions

This software visualizes orbit paths for the Orbiting Carbon Observatory (OCO), but was designed to be general and applicable to any Earth-observing mission. The software uses the Google Earth user interface to provide a visual mechanism to explore spacecraft orbit paths, ground footprint locations, and local cloud cover conditions. In addition, a drill-down capability allows for users to point and click on a particular observation frame to pop up ancillary information such as data product filenames and directory paths, latitude, longitude, time stamp, column-average dry air mole fraction of carbon dioxide, and solar zenith angle. This software can be integrated with the ground data system for any Earth-observing mission to automatically generate daily orbit path data products in Google Earth KML format. These KML data products can be directly loaded into the Google Earth application for interactive 3D visualization of the orbit paths for each mission day. Each time the application runs, the daily orbit paths are encapsulated in a KML file for each mission day since the last time the application ran. Alternatively, the daily KML for a specified mission day may be generated. The application automatically extracts the spacecraft position and ground footprint geometry as a function of time from a daily Level 1B data product created and archived by the mission s ground data system software. In addition, ancillary data, such as the column-averaged dry air mole fraction of carbon dioxide and solar zenith angle, are automatically extracted from a Level 2 mission data product. Zoom, pan, and rotate capability are provided through the standard Google Earth interface. Cloud cover is indicated with an image layer from the MODIS (Moderate Resolution Imaging Spectroradiometer) aboard the Aqua satellite, which is automatically retrieved from JPL s OnEarth Web service.

Jacob, Joseph C.↗

NASA NTRS1992

Development of the FITS tools package for multiple software environments

The HEASARC is developing a package of general purpose software for analyzing data files in FITS format. This paper describes the design philosophy which makes the software both machine-independent (it runs on VAXs, Suns, and DEC-stations) and software environment-independent. Currently the software can be compiled and linked to produce IRAF tasks, or alternatively, the same source code can be used to generate stand-alone tasks using one of two implementations of a user-parameter interface library. The machine independence of the software is achieved by writing the source code in ANSI standard Fortran or C, using the machine-independent FITSIO subroutine interface for all data file I/O, and using a standard user-parameter subroutine interface for all user I/O. The latter interface is based on the Fortran IRAF Parameter File interface developed at STScI. The IRAF tasks are built by linking to the IRAF implementation of this parameter interface library. Two other implementations of this parameter interface library, which have no IRAF dependencies, are now available which can be used to generate stand-alone executable tasks. These stand-alone tasks can simply be executed from the machine operating system prompt either by supplying all the task parameters on the command line or by entering the task name after which the user will be prompted for any required parameters. A first release of this FTOOLS package is now publicly available. The currently available tasks are described, along with instructions on how to obtain a copy of the software.

Pence, W. D.↗

DOE OSTI2019

Systematic Characterization of Power Hardware-in-the-Loop Evaluation Platform Stability: Preprint

This paper presents a systematic approach to characterize the stability of a power-hardware-in-the-loop (PHIL) platform, an important step in PHIL tests. Many existing works focus the stability assessments on the PHIL interface algorithm; however, this work considers all software and hardware subsystems that form the closed loop of the PHIL experiment and develops a complete closed-loop stability assessment. This assessment is developed in the context of a common framework that can be readily applied to other PHIL platforms. This paper presents methods for characterizing key PHIL subsystems toward obtaining transfer functions to be used for analysis. The systematic stability assessment approach is demonstrated for a case study involving PHIL testing of a solar inverter and validated using experimental data. assessment. This assessment is developed in the context of a common framework that can be readily applied to other PHIL platforms. This paper presents methods for characterizing key PHIL subsystems toward obtaining transfer functions to be used for analysis. The systematic stability assessment approach is demonstrated for a case study involving PHIL testing of a solar inverter and validated using experimental data.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1986

The impact of common APSE interface set specifications on space station information systems

Certain types of software facilities are needed in a Space Station Information Systems Environment; the Common APSE (Ada Program Support Environment) Interface Set (CAIS) was proposed as a means of satisfying them. The reasonableness of this is discussed by examining the current CAIS, considering the changes due to the latest Requirements and Criteria (RAC) document, and postulating the effects on the CAIS 2.0. Finally, a few additional comments are made on the problems inherent in the Ada language itself, especially on its deficiencies when used for implementing large distributed processing and data base applications.

Diaz-Herrera, Jorge L.↗

DOE OSTI2023

OpenMSCG: A Software Tool for Bottom-Up Coarse-Graining

Not Available

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRSDate not supplied

An Integrated Software Architecture for Solar Cruiser Mission Design and Navigation

Solar Cruiser is a solar sailing mission, riding as a secondary payload to the Interstellar Mapping and Acceleration Probe (IMAP) mission, expected to launch in February of 2025. The Solar Cruiser vehicle will generate thrust via a complex, low-thrust solar sail. The extreme low-thrust nature of the solar sail will leave Solar Cruiser highly sensitive to external environmental effects (such as solar radiation pressure and high-order gravitational perturbations) throughout the entirety of flight. Because of this, preliminary & operational optimization routines must be intricately tied to high-order predictive propagation models to ensure the greatest possible confidence in mission success. The Solar Cruiser Mission Design and Navigation (MDNav) team has designed a software tool suite, employing the latest in software containerization technology, to accomplish this task, allowing for seamless development across several users and operating systems. Combining JPL’s Monte toolkit with high-performance optimizers written by researchers at the University of Alabama, the proposed architecture allows for instant verification of optimized trajectories within the same development environment that the optimization takes place, removing the need for mission designers and navigators to switch between tools. The MDNav software suite itself is separated from the development and operational scripts to be used in flight, which allows for maintaining a low-footprint version control profile – thus avoiding unnecessary file bloating. This paper discusses the historical differences between previous iterations of the Solar Cruiser MDNav tool suite and the current iteration, planned operational interfaces of the tool with other software and subsystems, and the planned path forward in maintaining containerization services for the software throughout the lifetime of Solar Cruiser.

Containerization↗

NASA NTRSDate not supplied

An Integrated Software Architecture for Solar Cruiser Mission Design and Navigation

Solar Cruiser is a solar sailing mission, riding as a secondary payload to the Interstellar Mapping and Acceleration Probe (IMAP) mission, expected to launch in February of 2025. The Solar Cruiser vehicle will generate thrust via a complex, low-thrust solar sail. The extreme low-thrust nature of the solar sail will leave Solar Cruiser highly sensitive to external environmental effects (such as solar radiation pressure and high-order gravitational perturbations) throughout the entirety of flight. Because of this, preliminary & operational optimization routines must be intricately tied to high-order predictive propagation models to ensure the greatest possible confidence in mission success. The Solar Cruiser Mission Design and Navigation (MDNav) team has designed a software tool suite, employing the latest in software containerization technology, to accomplish this task, allowing for seamless development across several users and operating systems. Combining JPL’s Monte toolkit with University of Alabama’s high-performance optimizer, ASSET, the proposed architecture allows for instant verification of optimized trajectories within the same development environment that the optimization takes place, removing the need for mission designers and navigators to switch between tools. The MDNav software suite itself is separated from the development and operational scripts to be used in flight, which allows for maintaining a low-footprint version control profile – thus avoiding unnecessary file bloating. This paper discusses the historical differences between previous iterations of the Solar Cruiser MDNav tool suite and the current iteration, planned operational interfaces of the tool with other software and subsystems, and the planned path forward in maintaining containerization services for the software throughout the lifetime of Solar Cruiser.

solar cruiser↗