- From: Peter Murray-Rust <pm286@cam.ac.uk>
- Date: Tue, 20 Mar 2012 09:05:02 +0000
- To: "www-math@w3.org" <www-math@w3.org>
- Message-ID: <CAD2k14N36ht2=5joWkQAvSS1yiyB8=f=SBPAcd=sc4osX=NBtg@mail.gmail.com>
I am now trying to summarise my position and hope the list can guide me. Goal: To create a completely self-suffcient, easily installled chemical computation engine that can be distributed under an OSI compliant licence (but not GPL). Note: Some of the functionality could be provided by web-services and users take their chance on having 24/7 access. (We do similar things for chemistry). The engine will probably be able to service "high-school physics" and significant areas of engineering and materials science. The emphasis is on numeric evaluation, not theorem-proving or semantic deduction; there will be a small amount of symbol manipulation, e.g. differentiating analytical expressions Note: I am prepared to implement a MathML engine for the subset of maths involved (and have made progress on this). Prototyping and correct execution is currently more important than performance. The engine should allow for easy extensibility with functions and vocabulary not native to MathML2.0. The solution architecture should scale to be usable under distributed computing, Hadoop, etc. Question: As I don't want to re-invent the wheel, are there existing solutions? They should generally be based on APIs or web services, not GUIs. Assuming not, I shall go ahead anyway. 1. I am still considering whether I should use lambda. The pros are that it is clean and I suspect relatively easy to implement. the cons are that it will scare off most users (especially chemists). 2. The code is a series of statements of intent rather than (say) statements of fact (e.g. fact(3) = 6) or hypotheses to be proved. Question: Is there an agreed semantics/vocabulary for this? If not, is there a commonly used one? Otherwise I need to invent my own (e.g. DavidC suggested "declare") If we can agree on this, then I think it will be possible to create a programming idiom which bridges "high-school" mathematical notation and executable code. Many thanks for your help -- Peter Murray-Rust Reader in Molecular Informatics Unilever Centre, Dep. Of Chemistry University of Cambridge CB2 1EW, UK +44-1223-763069
Received on Tuesday, 20 March 2012 09:05:31 UTC