On Nov 4, 2004, at 1:08 PM, Miguel wrote:
Do you want me to first start looking into the 'Start Vibration' 'Next Vibration' menu items, by adding those as new actions, or do you think it would be better to have them as script commands, e.g., vibration next vibration prev similar to what is in the Jmol Help for the 'animate' command?
This sounds like a very good idea.
Thank you.
I'll hold off on that till I hear back from you, or hold off at all if you don't think we should focus on that right now. Meanwhile I try to get that hierarchy stuff to work in my AtomSetChooser/GaussianReader (when I am not forced to do my real job :-)
Yes. You try to get the hierarchy working within Gaussian + AtomSetChooser.
I am a bit stuck again.
I'll commit what I have now, but the building of the tree is not working yet (you can see the path information I am adding to each of the AtomSets and that I do indeed set the AtomSetCollectionProperties that I later look for again and can't get to).
I am setting the PATH_KEY and PATH_SEPARATOR properties in the AtomSetCollectionProperties, so that the AtomSetChooser can find out what the PATH_KEY and PATH_SEPARATOR are in order to build the hierarchy in the tree, but the JmolViewer instance always returns null from the getModelSetProperties. I found that the ModelSetProperties is never set, so that is why.
I checked that currently the call to setModelSetProperties method needs to be added in the Frame constructor. Frame has a method for it, and delegates it to the Mmset. But I was under the impression that the AtomSetCollection/ModelSet Properties are really a file-wide set of properties and really belongs as an istance in the ModelManager in stead. I'll leave it up to you.
Meanwhile I'll work on getting the hierarchy to work without using the AtomSetCollectionProperties to determine what the PATH_KEY and PATH_SEPARATOR are for now, and use the same ones I *know* I am using in the GaussianReader.
Q: I decided to use .PATH as the key for the path information in the AtomSetProperties. I started it with a dot, so it is like a 'hidden' property.
Q: If you agree with the approach of communicating the path construction information through the AtomSetCollectionProperties, I assume that they really should be made part of the AtomSetCollection construction, so any atomSetCollection would automatically have it?
By the way I don't think the animate command works the way the helps describes it.
Which 'help' document are you referring to?
When I click the Help:User Guide in the Jmol application.
It seems to be the 'frame' command itself that does what 'animate' used to do,
As I recall, the following are exactly equivalent:
animation frame 1 frame 1 model 1
and 'anim' seems to turn on the animation... (similar to vibration turning on the vibrations, so why no have it called animation).
The proper name of the command is 'animation'
But for compatibility with Chime the abbreviation 'anim' is accepted.
I started playing with the frame commands, and it looks like to goes
outside of the range of frames, which causes all the frames to be drawn
at the same time, e.g., load the g98.out and do a 'frame o' (with
vibration on: pretty neat, but not sure whether that was planned).
Yes, it was planned that way.
If the frame number is outside the acceptable range, then all frames are
displayed.
Do a 'frame 1' and then a 'frame nextwrap'. Just thought I'd let you know (as if you didn't have enough things going on already :-).
'frame nextwrap' is a bug.
It looks like if the symbol is not recognized then all are shown.
'frame whatever'
does the same thing.
Miguel
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