This is just an advisory about Jmol state that may save some other users some
frustration. After the fact, I see that the frustrating situation is actually a
design feature. I just missed it. If you want to save time on the issue, jump
to the Bottom Line in my last sentence.
I'm getting state with:
1) stateData = Jmol.getPropertyAsString(jmolApplet0, "stateInfo");
If a triple bond containing model is loaded with a SMILES, then the state file
contains something like the following after it's saved to server:
2) load model ({0}) /*file*/"http://chemagic.com/models.aspx?smi2sdf=CC#C";;
That needs to be the following to communicate with Resolver:
3) load model ({0}) /*file*/"http://chemagic.com/models.aspx?smi2sdf=CC%23C";;
This is all well and good. You need to make these # URL conversions when you
work with Resolver.
Here's the advisory: When you go to make this change using replace on the state
variable, you need to know that 1 above already has the value "%23" in place
for triple bond #. This, however, gets written to server as #. Consequently, a
replace statement on stateData would look something like this:
4) stateData = stateData.replace(/%23/g, "!HASH!");
Not:
5) stateData = stateData.replace(/#/g, "!HASH!");
Since the state variable is used directly in Jmol to RESTORE model state, I now
see why this had to be handled this way. Bottom Line: If you're looking for a
triple bond # in a state file variable, look for %23, not #.
Otis
--
Otis Rothenberger
[email protected]
http://chemagic.com
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