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Thermodynamics (FreeGs)

Geoscience Australia currently stores data related to the generation of free energies of reactions and mineral compounds (Species). There are currently two access points to this information and modelling capability, internally via an Oracle interface and externally through a web application and back end java code. This restricts the access and usability of the data and modelling capabilities therefore, it was recognised that a web service was needed to enhance its use. Presently the InformationModel is very simple to reflect the delivery requirements within the small community of stakeholders.

FreeGs Information Model

The InformationModel was initially developed from a F2F meeting at CSIRO Australian Resources Research Centre (Perth, WA) in Feb. 2006. Participants developed intance documents of request/response requirements to support data delivery and modelling incorporation.


Web Service

We are currently testing the FreeGs web service internally in Geoscience Australia. I have deployed the service using Apache Axis2 (V1.1.1), a SOAP processor application written in Java. Initial processing of URL requests from html forms has been successful for;
  • searching via a data set number
  • searching via prefered/non-prefered/all available species
  • searching via a given list of elements (eg. Na,Cl,O)
Internally service now parses and validates against a defined schema.

Evgeniy In relation to WRS 1903 & 2019:

(1) Element search: replace it with simple "traditional" non-restrictive SQL queries like in FreeGs Species and Reactions pages; Use conventional Syntax U%O%H rather then U,O,H

(2) Temporariliy disable the Reaction page in Web services and remove the appropriate button

(3) Document the discussed problem of replicating the My Reaction functionality

(4) If possible, suggest a solution for the Web service


(1)Query for U,O,H will presently return a set containing any species beginining with each of the three elements, any species begining with '!UO' and '!OH' and any species containing all three elements. This set will also contain any combination of the three results that contain numeric values and isotopes. For example we will return UO2 and OH- but we will not get UO2OH+ because there are to 'O' elements in conjunction. NOTE: A search for U,O,O,H will return UO2OH+.

(2)Preference is to not disable the function as it does serve a specific use case for returning species details of a user specified set of elements. No more work to be done on this functionality.

(4)Suggested solution is to educate users of the required input to obtain desired output.

-- DalePercival - 27 Jun 2007
Topic revision: r7 - 15 Oct 2010, UnknownUser

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