RMG-website icon indicating copy to clipboard operation
RMG-website copied to clipboard

Features to develop

Open connie opened this issue 9 years ago • 0 comments

Features to develop

  • [ ] Thermo query to RMG-Java so we can see thermo results from both Py and Java (much like kinetics)
  • [ ] Refresh script for reloading Java server so that it stops timing out
  • [x] Getting RMG-Py input file GUI form up to date (Max @mliu49)
  • [x] An applet to draw molecules when the resolver fails (One possibility is OLN™ JSDraw™. Perhaps not the easiest interface, but it is free for non-commercial use and, critically, it can do radicals. http://www.scilligence.com/web/jsdrawapis.aspx)
  • [ ] A tool to give rates for any CHEMKIN format string of kinetics at user-desired pressures and temperatures much like the NASA polynomial tool. This will save many ppl time.
  • [x] Display reaction family recipes in a transparent fashion, also add comments to libraries and families (take Nathan's images and put them onto the website.) (Mark @goldmanm)
  • [ ] Displaying descriptive comments for either kinetics or thermo groups overall onto the website (currently we only do it for individual entries, but sometimes we have longer comments on top that aren't displayed.)

Bugs

  • [x] Group additivity values missing from Thermo Groups (the other 6 types of corrections are there.)
  • [x] Images in thermo/gauche are broken for most of the groups

Low priority items

  • [ ] Input file even for Java (Maybe will become redundant, but still useful)

connie avatar Mar 17 '15 14:03 connie