Demeter Time Line

marks an accomplished goal
marks a goal that is partially completed
marks a goal that is proving difficult

Top of the to do list

version 0.1

Target date: Mid February 2008

Goals

• data processing, fitting, feff, plotting all working at some useful level

• documentation written for all modules

• Cookbook written and useful

• several small applications:

  1. datoms - atoms using the Demeter code base

  2. intrp - a textual interpretation of a Feff calculation with optional colored, html, or latex output

  3. dfeff - a Feff wrapper that mimics old school feff, but with some added features

  4. rdfit - a simple fit project file explorer

• Demeter and libperlxray build and run from svn. CPAN requirements tool works. Build scripts work.

Top of the to do list

version 0.2

Target date: June 2008

Goals

• development of simple applications

  1. a data watcher -- point the script at a location on disk and merge data as scans finish

  2. a curses-based athena-lite

  3. a feff generator/model tester for my metals+DNA project

  4. a replacement for the booklet of reference spectra that comes with the EXAFS Materials foils box -- interactive, html, pdf, extensible: See here.

• athena project import/export, lsprj app for listing/plotting contents of Athena project file

• path auto-indexing in fits or visualization, it should never be necessary to specify path indeces
• template set for perl output (long term goal: perl script output from GUI)

  • write a feffit.inp to demeter script tool using this template set

• flesh out interaction between ScatteringPath and Path objects

• solve issues of including ScatteringPath and Feff objects or including feffNNNN.dat files in the fit serializations, work out formatting details to get data, phase.bin etc into projects

• abstraction of space_groups database interactions into a free-standing, cpan-able module

version 0.3

Target date: summer 2008

Goals

• OpenBabel interface

• CIF import

• gnuplot backend (I got motivated early to do this one!)

• remaining data processing chores from athena

version 0.4

Target date: fall 2008

Goals

• wrap data processing functionality with RPC, this will allow data acquisition systems to use Demeter for plotting data
• data analysis
  • linear combination
  • principle components (use PDL?)
  • peak fitting
  • log ratio/phase difference

version 0.5

Target date: winter 2008

Goals

• maintain formulas for site positions in Atoms and propagate that information to ScatteringPath and Fit

• genfmt as a library with a SWIG wrapper, thus contributing back to Ifeffit
• merge Fit objects, i.e. merge together aspects of distinct fitting models

version 0.6

Target date: early 2009

Goals

• functional Artemis-like GUI

version 1.0

Target date: ???

Goals

• well-tested Artemis GUI, Artemis 2.0

beyond

Target date: ???

Goals

• molecular visualization integration
• diffractogram and DAFS simulations
• generalize path finder to unlimited nlegs