-
Notifications
You must be signed in to change notification settings - Fork 134
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Color-Mapped PES using ngl.js #973
Comments
Ping @fredludlow since it's NGL issue. |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
v.2.0.0.dev.39
Great tool! Following the example in ngl/examples/scripts/color/volume-esp.js I wrote something similar to show the ESP on an isodensity surface from two Gaussian cube files, one containing electron density and the other the ESP (code is below). This throws:
Uncaught TypeError: e.toPrecision is not a function
_makeSurface https://unpkg.com/ngl:1
getSurfaceWorker https://unpkg.com/ngl:1
onmessage https://unpkg.com/ngl:1
za https://unpkg.com/ngl:1
getNextWorker https://unpkg.com/ngl:1
getSurfaceWorker https://unpkg.com/ngl:1
prepare https://unpkg.com/ngl:1
make https://unpkg.com/ngl:1
i https://unpkg.com/ngl:1
r https://unpkg.com/ngl:1
setTimeout handlerr https://unpkg.com/ngl:1
push https://unpkg.com/ngl:1
build https://unpkg.com/ngl:1
init https://unpkg.com/ngl:1
e https://unpkg.com/ngl:1
Ts https://unpkg.com/ngl:1
addRepresentation https://unpkg.com/ngl:1
addRepresentation https://unpkg.com/ngl:1
file:///XXX/refCube.html:23
promise callback file:///XXX/refCube.html:19
EventListener.handleEvent* file:///XXX/refCube.html:13
If I change
e.toPrecision(2),n=new qg(r,"",t)
in dist/ngl.js to
e,n=new qg(r,"",t)
Things work as expected. The problem code loads 2 unmodified cube files generated by the "Gaussian" quantum chemistry program:
var densFile = 'http://localhost:8000/naphta.dens.cube'
var espFile = 'http://localhost:8000/naphta.pot.cube'
document.addEventListener("DOMContentLoaded", function () {
var stage = new NGL.Stage("viewport");
The text was updated successfully, but these errors were encountered: