VAMDC Implementation VAMDC workshop ICAMDATA 2012 Guy Rixon

VAMDC Implementation VAMDC workshop, ICAMDATA 2012 Guy Rixon

Technical policy • No centralization • Everything searchable on WWW • Access from web browsers and applications • Self-describing data Rixon: VAMDC implementation VAMDC workshop at ICAMDATA 2012

“No centralization” “VAMDC nodes” CDMS (Köln) VALD (Uppsala) HITRAN (London) VAMDC-TAP protocol* Application BASECOL (Paris) * http: //www. vamdc. org/documents/standards/data. Access. Protocol/index. html etc. Rixon: VAMDC implementation VAMDC workshop at ICAMDATA 2012

“Searchable on the WWW” http: //some. server/some/data? QUERY=select. . . Address of database • Query to DB Example queries: • • • SELECT * WHERE Rad. Trans. Wavelength > 4500 AND Rad. Trans. Wavelength < 5500 SELECT Collisions WHERE ((target. Inchi. Key = 'UGFAIRIUMAVXCW-HQMMCQRPSA-N')) AND ((collider. Atom. Symbol = 'He')) SELECT Species See: http: //www. vamdc. org/documents/standards/query. Language/index. html Rixon: VAMDC implementation VAMDC workshop at ICAMDATA 2012

“Browser and applications” Science application n Web browser Web site (portal) Web service (node) Rixon: VAMDC implementation VAMDC workshop at ICAMDATA 2012

“Self describing data” XML Schema for Atoms, Molecules and Solids (XSAMS) See http: //www. vamdc. org/documents/standards/data. Model/vamdcxsams/index. html Rixon: VAMDC implementation VAMDC workshop at ICAMDATA 2012

Nodes translate data models Node ≈ DB + data model + node software Application Standard data-model (XSAMS + VAMDC dictionary*) Web portal Taverna XSAMS processor * See http: //dictionary. vamdc. org/ Rixon: WP 4 progress: VAMDC P 3 -review VAMDC nodesoftware Local data -model

Usage: portal & processors http: //portal. vamdc. eu/ Registry Portal Data node Datanode Rixon: WP 4 progress: VAMDC P 3 -review XSAMS Processor Datanode

Usage: code as service + Taverna Registry Data node Datanode XSAMS Rixon: WP 4 progress: VAMDC P 3 -review Processor code as service

Usage: code as client Wrapper script code Registry Data node Datanode Rixon: WP 4 progress: VAMDC P 3 -review XSAMS Processor

Data nodes available BASECOL Cagliari/Toulouse PAH Carbon Dioxide Spectroscopic Databank Chianti Cologne Database for Molecular Spectroscopy GSMA Reims S&MPO GSMA Reims Ethylene Gho. SST HITRAN-UCL resource IDEADB - Innsbruck Dissociative Electron Attachment Database ICB Dijon Methane KIDA Lund laboratory spectroscopy database OACT - LASP Database Spectr-W 3 Stark-B TIPbase TOPbase VALD (atoms) VALD sub-set in Moscow (obs) Water internet Accessible Distributed Information System Rixon: VAMDC implementation VAMDC workshop at ICAMDATA 2012

Participating as an app author Option 2 Option 1 Your application Filter library XSAMS Filter service Query Your format Your application XSAMS Wrapper script VAMDC node VAMDCnode Rixon: VAMDC implementation VAMDC workshop at ICAMDATA 2012 VAMDC node VAMDCnode

Advantages of adapting your code • Use with wider range of data • Wider range of potential users • Easier to acquire data • Data always up-to-date Rixon: VAMDC implementation VAMDC workshop at ICAMDATA 2012

Participating as a data provider Option 1 Option 2 Option 3 Your site Partner site New node Partner site Existing node Web server Node s/w Data model Transfer Data model Rixon: VAMDC implementation VAMDC workshop at ICAMDATA 2012 Ingest Transfer

Inside a node Provided by node owner; help available from VAMDC Generated by node owner; may be existing DB Local data model Reusable node software From VAMDC; code in Git. Hub; docs on vamdc. org site Django My. SQL Python httpd/ WSGI Readily available; usually as optional package in Linux distro

Node example: Chianti ? ? ? Ingest DB Y Workin g? Code Python modules Test with portal Test: internal server + TAP validator Register Workin g? Y N Deploy on server N Y Profanity Tweaka ble? N (Data provided by DAMPT, Cambridge; ingestion and node set-up by Io. A, Cambridge; eventual hosting by MSSL)

Chianti example (cont. ) RHEL Apache httpd Chianti DB settings. py My. SQL server vamdctap Python 2. 7 models. py Django etc. dictionaries. py queryfunc. py Re-ingested for VAMDC; 6 tables Connects Django to Chianti DB. Written for Chianti DB; 39 lines Implements VAMDC-TAP protocol. Provided by VAMDC; ~2400 lines Describes DB schema to Python. Written for Chianti DB; 153 lines Describes DB schema to VAMDC generator. Written for Chianti DB; 75 lines Converts from VSS to Django objects. Adapted for Chianti DB; 276 lines

Benefits of making a node • More potential users • All parts of data made available • Branding; citation of your data • Data preservation • Easier than writing your own web-site Rixon: VAMDC implementation VAMDC workshop at ICAMDATA 2012

Annual updates of standards Update VAMDC standards Redeploy nodes t=0 Update node software, portal, registry Redeploy registry Test! Redeploy portal t ~+6 weeks t ~+2 weeks Redeploy processors Rixon: WP 4 progress: VAMDC P 3 -review t ~+4 weeks Announce new URLs to users

For reference http: //vamdc. org/ http: //vamdc. eu/ • Standards • Software • Documentation • Support • Contacts Rixon: VAMDC implementation VAMDC workshop at ICAMDATA 2012