[Jmol-users] Jmol 12.0.RC27 -- possibly the last before 12.0 release

[Robert H. <ha...@st...>]

Thank you, Nico, for releasing Jmol 12.0.RC27. It's finally time to call
this a version!

This last update adds some very powerful capability to Jmol that various
people have suggested over the years. It feels very much now like we have a
fully functional command language -- almost like bringing JavaScript right
into Jmol:

version=12.0.RC27

new feature: prompt(label,data,asButtons)
-----------------------------------------------------
Bring up a customizable pop-up box.

    x = prompt("The file loaded properly.") # just shows an OK box
    x = prompt("Enter a script command","") # returns user input or "null"
    if (x != "null")script inline @x
    x = prompt("Do you want to continue?","yes|no|cancel", true) # returns
"yes" "no" or "cancel"
    x = prompt("testing",["yes","no","cancel"]) # returns 1, 2, or 3

see http://chemapps.stolaf.edu/jmol/docs/index.htm#prompt

new feature: associative arrays
---------------------------------------
   b = {"test" : 34, "test2" : 45}
   b["test"] = 35
   b["test3"] =[2, 3, 4, 5]
   print b["test"]

    35

  show b

    b = { "test3":[2, 3, 4, 5],"test2":45,"test":35 }

  b -= "test3"
  show b

   b = { "test2":45,"test":35 }


new feature: try/catch
----------------------------
And, with that, the opportunity to catch file load errors BEFORE they do the
ZAP...

load quartz.cif
refresh
while(true) {
 try{
         load "adfkjd" # will be caught
 } catch(e) {
        prompt @e
        break       # from WHILE
 }
 prompt "The file was loaded successfully.
 break;
}
# quartz still loaded.

see http://chemapps.stolaf.edu/jmol/docs/index.htm#try

new feature: SWITCH/CASE
-----------------------------------
  -- more like JavaScript than Java
  -- like JavaScript, doesn't need constants
  -- like JavaScript, evaluations can be made in the cases
  -- really just a simpler form of IF/ELSEIF/ELSE
  -- expressions are evaluated only as necessary from the top down
  -- DEFAULT may appear along with any of the CASE statements

  switch(prompt("What would you like to see?",
["Spacefill","Wireframe","Ball&Stick"])) {
  case 1:
    spacefill only
    break;
  case 2:
    wireframe only
    break;
  case 3:
    wireframe only;wireframe reset;spacefill reset
    break;
  }

see http://chemapps.stolaf.edu/jmol/docs/index.htm#switch

new feature: fux, fuy, fuz, fuxyz, and set fractionalRelative
------------------------------------------------------------------------

  fux, fuy, fuz are the fractional coordinates based on the current unit
cell.
  set frationalRelative makes {1/1 1/2 1/1} and cell=555 and cell ={1 1 1}
all relative to
  the current unit cell.


-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900