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arohl / gdis

A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
GNU General Public License v2.0
43 stars 17 forks source link

diffraction graph #28

Closed ovhpa closed 5 years ago

ovhpa commented 5 years ago

This fix the diffraction graph, by using the new graph interface. before old_baso4 after new_baso4

Note that due to the new graph interface, the (h,k,l) is displayed on a peak, but [xval,yval] is displayed outside.

arohl commented 5 years ago

It is really useful to be able to click on a peak to find the hkl. Is this not possible ta all, or just difficult and so should be placed in the TODO list?

ovhpa commented 5 years ago

Sorry I didn't explain myself correctly:

Maybe I should remove the later.

arohl commented 5 years ago

I believe that is fine

Andrew Professor Andrew Rohl DPhil FACS Director | ARC Training Centre for Transforming Maintenance through Data Science Director | Curtin Institute for Computation Chemistry | School of Molecular and Life Sciences

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On 12 Jul 2019, at 2:39 pm, Okadome Valencia notifications@github.com<mailto:notifications@github.com> wrote:

Sorry I didn't explain myself correctly:

Maybe I should remove the later.

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arohl commented 5 years ago

Compiles fine on my Mac but I have no plot labels :-(

ovhpa commented 5 years ago

It seems to be another trouble with cairo/openGL...

Can you confirm the following:

arohl commented 5 years ago

No and no!

Space bar opens the load file dialog!

LIBGL_ALWAYS_SOFTWARE=true gdis

Makes no difference.

Note I do get labels in the model window i.e. the x, y and z on orientation indicator as well as the atom lables

ovhpa commented 5 years ago

That's strange. BTW I meant press space bar in the graph display, not in the model display.

In the meantime I manage to have a system with similar trouble (a ubuntu liveCD on a virtual machine). But I can't reproduce the exact trouble: x, y, and x labels are always drawn.

I'm going to investigate the issue, but it will take some time, because my systems seems to work fine, so I need to debug on a virtual machine.

ovhpa commented 5 years ago

sorry, I just re-read and saw that you DO have x, y, and z labels, so it is the same issue I have on the virtual machine.

arohl commented 5 years ago

Good! Nice that its the same problem and interesting it is both ubuntu and Mac OS X!

ovhpa commented 5 years ago

I'm thinking that it could be linked also to the 3D card. Also running ubuntu with LIBGL_ALWAYS_SOFTWARE=true gives correct display in the virtual machine.

What kind of graphic hardware does your Mac have?

arohl commented 5 years ago

I have tried it on a MacBook and a iMac - they have different graphic cards

The latter a Radeon Pro 570 4 GB and the former Intel HD Graphics 515 1536 MB

ovhpa commented 5 years ago

Ah, then it really is a problem of distribution. BTW at lab I use mostly centos and fedora with nvidia cards... I guess I will have to figure out what is the common point in this issue between ubuntu and Mac OS X ;)