Ngl: ts2 branch: distance, angle, ... comments

[hainm]

Hey,

super nice job to get these things done. It's very helpful for interactive.

There are several things I think NGL can be enhanced:

• distance reps are only displayed if there are more than 1 distance.
• Disable changing size of stage container.
  e.g: choose distance by "click -- click - click" (right now must be "click -- click -- click"). The former will exit the full screen mode.
• the end point of the angle does not point to correct atom center (intention?)

[arose]

distance reps are only displayed if there are more than 1 distance.

I think I fixed that recently (https://github.com/arose/ngl/commit/0776154f21ee999de6a530ff1354cf11764e35d6)

Disable changing size of stage container.
e.g: choose distance by "click -- click - click" (right now must be "click -- click -- click"). The former will exit the full screen mode.

The fullscreen on double-click option is something applications add, as far as i can remember it is not part of ngl itself.

the end point of the angle does not point to correct atom center (intention?)

Hmm, the dihedral measurement might need some more tweaks, @fredludlow, maybe two additional helper lines to the first and last atom?

[fredludlow]

the end point of the angle does not point to correct atom center (intention?)

Hmm, the dihedral measurement might need some more tweaks, @fredludlow, maybe two additional helper lines to the first and last atom?

Like this?
http://fredludlow.com/ngldev/examples/webapp.html?script=representation/dihedral
fredludlow/ngl@5f3a9c0

That makes it much more obvious when you pick unusual dihedral measurements but will for the most part be hidden by other representations when you pick a "standard" bond torsion or improper torsion.

[arose]

Yes, helpful and looks nice

[hainm]

I think I fixed that recently (0776154

indeed.

The fullscreen on double-click option is something applications add, as far as i can remember it is not part of ngl itself.

yeah, updated https://github.com/arose/nglview/blob/master/js/src/widget_ngl.js#L105.

[hainm]

Few other things:

• distance should be recalculated if coordinates is changed. [figure below]
• how can nglview get the data? (saying I want to create a widget to hold all info (atom selection, distance)
• how can I clear all distance or angle reprs? (tried with view.clear_distance but does not work (view.remove_cartoon does))

[hainm]

distance should be recalculated if coordinates is changed.

may be nglview should handle this? (if so, which code I should use?)

[hainm]

• 2nd click to 1st atom should unselect it. e.g: user click it by mistake or just undo the click.

[arose]

distance should be recalculated if coordinates is changed.

fixed, was a bug

how can nglview get the data? (saying I want to create a widget to hold all info (atom selection, distance)

there is currently no clear api, please make another ticket

how can I clear all distance or angle reprs?

added structureComponent.removeAllMeasurements(bitFlag), 1 for distance, 2 for angle, 4 dihedral, not given for all

2nd click to 1st atom should unselect it

added that behavior

[hainm]

kool. Works nicely (except the removeAllMeasurements, still need to figure how to call that in nglview properly).

• The label is a bit small (compare to the distance line) if zooming out.

[hainm]

It seems that distance selection does not work on my machine with centos 7.
How can I check if I am using correct NGL version? (I am sure the nglview js code is correct (saw my changes)).

[arose]

What is not working? Can you try here: http://nglviewer.org/ts2/test.html?script=interactive/ligand-viewer.

[hainm]

that example does not work for me (Alt-click).

[hainm]

Alt-click does not highlight the atom.

[arose]

Changed the key modifier to do measurements from alt to ctrl (see 56490d8eb45db3ee50566b502c921af4dbb8e04e) as alt drags the window on some linux distros and is not emitted in the browser.

[hainm]

thanks, saving one key stroke for "fn" on mac.