In Jmol math you can "drill down" into properties by adding parameters
rather than using the dot notation.
nModels = getProperty("modelInfo","modelCount")
does what you want. If you know there is only one file loaded, but it
might have multiple models, AND you know they are numbered sequentially
starting with 1, so that the highest model number is the model count,
then this will work:
nModels = {*}.model.max
similarly, if there is a sequential array, as there is here:
print getproperty("modelInfo","models",3,"file")
gives you the file for the third model. (Zero there instead of 3 would
give you information about the LAST model, -1 would be for the NEXT TO
LAST model, etc.)
It's not exactly obvious, but by looking at the full output for
modelInfo you might be able to guess what parameters you will need.
"models" is listed as a Vector[3], each of which includes a number of
items.
Ah, I have a great idea. We should be able to do this using the
following notation:
print getProperty("modelInfo.models[3].file")
Let me see if I can implement that.
modelinfo
modelSetHasVibrationVectors false
modelCount 3
modelSetName "1CDR"
modelSetProperties
PATH_SEPARATOR ";"
PATH_KEY ".PATH"
models Vector[3]
atomCount 1269
_ipt 0
name "1"
bondCount 1289
file_model "1.1"
polymerCount 2
file "C:\jmol-dev\workspace\Jmol\bobtest\1.pdb"
chainCount 1
num 1
vibrationVectors false
title "1CDR"
groupCount 80
,
atomCount 1269
_ipt 1
name "2"
bondCount 1289
file_model "1.2"
polymerCount 2
file "C:\jmol-dev\workspace\Jmol\bobtest\1.pdb"
chainCount 1
num 2
vibrationVectors false
title "1CDR"
groupCount 80
,
atomCount 725
_ipt 2
name "5"
bondCount 737
file_model "1.3"
polymerCount 1
file "C:\jmol-dev\workspace\Jmol\bobtest\1.pdb"
chainCount 1
num 5
vibrationVectors false
title "1CDR"
groupCount 49
Bob
Rolf Huehne wrote:
> Hi,
>
>I would like to use the Jmol math 'getProperty("modelInfo")' function to
>get information on the currently loaded models within the application.
>
>But I couldn't figure out how to access specific information like the
>'modelCount' after the following command within Jmol 11.5.35:
>
> modelInfo = getProperty("modelInfo");
>
>When I print the whole content with 'print modelInfo', I get a long list
>of information. I tried for example 'count = modelInfo.modelCount' but
>got an error message.
>When I tried to access 'modelInfo' like an array, I only got single
>letters back.
>
>Regards,
>Rolf
>
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--
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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