I also realized this is important for loadInLine, so I implemented it as
set defaultLattice {a b c}
or
set defaultLattice n
(meaning n x n x n) so:
set defaultLattice 0
means "just the raw points" -- set defaultLattice {0 0 0}
and
set defaultLattice 1
means "one unit cell" -- set defaultLattice {1 1 1}
and
set defaultLattice {1 2 3}
means 6 unit cells in a 1x2x3 block.
This works for me at http://www.stolaf.edu/people/hansonr/jmol/xtalx
When you load the cif data directly from the box, then the program does:
jmolScriptWait("set defaultLattice {...}")
jmolLoadInline("........")
Bob
Miguel wrote:
Nico wrote:
I am not a user of this, but I don't like it much.
I would prefer a setting before loading the file.
My reasons :
- the "load" command becomes too complex (especially with the mix
between loading multiple files and growing crystal which become
incompatible: it's not possible to do both)
- in the application, it's not possible to use the file selector dialog
for opening a crystal.
I agree with Nico.
If we cannot come up with an acceptable scheme for creating crystals as
new models, then I would prefer setting options in separate statements
prior to the load command.
I would prefer a separate command
set XXXXX {1,2,3}
Agreed ... or even withou the { curly braces }
Miguel
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