Nico, let's release 11.3.23
11.3.22 has updated webMaker in the Application -- I'll let John Gutow
explain that
11.3.23 has full program flow support, including:
if / else if / else / end if
for / end for
while / end while
and with
function /end function
that means the sky's the limit for Jmol script programming.
Examples:
function d(i,j)
return {atomno=i}.distance({atomno=j})
end function
var n = {*}.size
for (var i = 1; i <= n; i = i + 1)
for (var j = i + 1;j <= n; j = j + 1)
var dis = d(i,j);
if (dis < 1.23)
print "short i-j: " + i + "," + j + " " + dis%2
measure {atomno=i} {atomno=j}
else if (dis < 1.77)
print "medium i-j: " + i + "," + j + " " + dis%2
measure {atomno=i} {atomno=j}
end if
end for
end for
var i = 3
while ( i > 0)
print "atom " + i + " is " + {atomno=i}.ident + " and is at " +
{atomno=i}.xyz
i = i - 1
end while
Bob
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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
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