March 28, 2017 conference call

[colancto]

On March 28, 2017, the Thermo SIG had a conference call to progress the CAPE-OPEN interface specification on Reactions. Sergej BLAGOV (BASF), Jasper van BATEN (AmsterCHEM), Mark STIJNMAN (Shell Global Solutions), Bjorn MARIBO-MOGENSEN (Hafnium Labs) and myself attended the conference call.

The list of attributes for information on Compound Slates (Compound Slates are different representations of a mixture in terms of Compounds), was revised once more with a discussion on the necessity to propose two descriptions of a Compound Slate; a short one and a longer one. In the end, we retained only one description, meant to help the end-user determines between several Compound Slates (names of Compound Slates may be not enough to decide which to choose). Relying on an external source to supply information on a given Compound Slate was rejected for the moment. It would have been too involved within such a specialized interface. So it appears that the description of the two methods carried by ICapeThermoCompoundSlateCollection interface is now finalized.

Next we discussed the proposal made by Mar STIJNMAN to suppress the hierarchy within reactions. Such a feature is preently in the proposed design. Such a hierarchy has been introduced a while ago to help reaction package providers to hide their proprietary information as well as to let the end-user organize his/her choice of the reactions relevant to the current context. It also supports the use of one single Property Package carrying internally a Reaction Package. Decision has been made to suppress the hierarchy. The design will still let a reaction package provider expose a pseudo-overall reaction instead of the detailed scheme.

Version 0.87 of the interface specification document on Reactions has been released to the Thermo SIG. Next conference call is scheduled for April 4 with deleting parts related to the hierarchy of reactions in the document.