Script two planes

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Script two planes

alberto
Hi 
I have a set of cartesian coordinates that define two plane of different atoms. 
Is it possible calculate distance and orthogonal projection? 
regards 

Alberto 

This is my data 

24 
test plane 

Pb -9.9300426676   4.1025666804   8.7420388123
Pb -4.0641923655   4.0198687706   1.6849745870
Pb -9.9866302880   4.1933336180   -1.3285956262 
Pb -4.1207799859   4.1106357083   -8.3856598515 
Pb -1.2684114297   4.1285931245   6.3124736259
Pb 4.5974388723   4.0458952147   -0.7445905994
Pb -1.3249990502   4.2193600622   -3.7581608126 
Pb 4.5408512519   4.1366621524   -10.8152250379 
Pb 7.3932198081   4.1546195686   3.8829084395 
Pb 13.2590701101   4.0719216589   -3.1741557858 
Pb 7.3366321877   4.2453865063   -6.1877259990
Pb 13.2024824897   4.1626885965   -13.2447902243 
Mg -11.5004149207   -4.2961447648   13.2944782095 
Mg -5.6345646187   -4.3788426745   6.2374139842 
Mg -11.5570025411   -4.2053778271   3.2238437711 
Mg -5.6911522391   -4.2880757369   -3.8332204543 
Mg -2.8387836829   -4.2701183206   10.8649130231 
Mg 3.0270666192   -4.3528162304   3.8078487978 
Mg -2.8953713033   -4.1793513830   0.7942785847 
Mg 2.9704789987   -4.2620492927   -6.2627856407 
Mg 5.8228475550   -4.2440918765   8.4353478367 
Mg 11.6886978570   -4.3267897862   1.3782836114 
Mg 5.7662599345   -4.1533249388   -1.6352866017 
Mg 11.6321102366   -4.2360228486   -8.6923508271 

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Re: Script two planes

Paul Hobson-2
Alberto,

It should be possible to do that with python, but I don't see a path forward where matplotlib is required. Linear algebra and interpolation available in numpy and scipy should suffice.
-Paul

On Tue, May 8, 2018 at 12:13 PM, alberto <[hidden email]> wrote:
Hi 
I have a set of cartesian coordinates that define two plane of different atoms. 
Is it possible calculate distance and orthogonal projection? 
regards 

Alberto 

This is my data 

24 
test plane 

Pb -9.9300426676   4.1025666804   8.7420388123
Pb -4.0641923655   4.0198687706   1.6849745870
Pb -9.9866302880   4.1933336180   -1.3285956262 
Pb -4.1207799859   4.1106357083   -8.3856598515 
Pb -1.2684114297   4.1285931245   6.3124736259
Pb 4.5974388723   4.0458952147   -0.7445905994
Pb -1.3249990502   4.2193600622   -3.7581608126 
Pb 4.5408512519   4.1366621524   -10.8152250379 
Pb 7.3932198081   4.1546195686   3.8829084395 
Pb 13.2590701101   4.0719216589   -3.1741557858 
Pb 7.3366321877   4.2453865063   -6.1877259990
Pb 13.2024824897   4.1626885965   -13.2447902243 
Mg -11.5004149207   -4.2961447648   13.2944782095 
Mg -5.6345646187   -4.3788426745   6.2374139842 
Mg -11.5570025411   -4.2053778271   3.2238437711 
Mg -5.6911522391   -4.2880757369   -3.8332204543 
Mg -2.8387836829   -4.2701183206   10.8649130231 
Mg 3.0270666192   -4.3528162304   3.8078487978 
Mg -2.8953713033   -4.1793513830   0.7942785847 
Mg 2.9704789987   -4.2620492927   -6.2627856407 
Mg 5.8228475550   -4.2440918765   8.4353478367 
Mg 11.6886978570   -4.3267897862   1.3782836114 
Mg 5.7662599345   -4.1533249388   -1.6352866017 
Mg 11.6321102366   -4.2360228486   -8.6923508271 

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Re: Script two planes

alberto
Hi Paul,
I would visualize the atoms of two planes to see how much they are tilted. I'm a beginner of python, but I think that matplotlib is necessary.

Alberto

Il mar 8 mag 2018 09:18 PM Paul Hobson <[hidden email]> ha scritto:
Alberto,

It should be possible to do that with python, but I don't see a path forward where matplotlib is required. Linear algebra and interpolation available in numpy and scipy should suffice.
-Paul

On Tue, May 8, 2018 at 12:13 PM, alberto <[hidden email]> wrote:
Hi 
I have a set of cartesian coordinates that define two plane of different atoms. 
Is it possible calculate distance and orthogonal projection? 
regards 

Alberto 

This is my data 

24 
test plane 

Pb -9.9300426676   4.1025666804   8.7420388123
Pb -4.0641923655   4.0198687706   1.6849745870
Pb -9.9866302880   4.1933336180   -1.3285956262 
Pb -4.1207799859   4.1106357083   -8.3856598515 
Pb -1.2684114297   4.1285931245   6.3124736259
Pb 4.5974388723   4.0458952147   -0.7445905994
Pb -1.3249990502   4.2193600622   -3.7581608126 
Pb 4.5408512519   4.1366621524   -10.8152250379 
Pb 7.3932198081   4.1546195686   3.8829084395 
Pb 13.2590701101   4.0719216589   -3.1741557858 
Pb 7.3366321877   4.2453865063   -6.1877259990
Pb 13.2024824897   4.1626885965   -13.2447902243 
Mg -11.5004149207   -4.2961447648   13.2944782095 
Mg -5.6345646187   -4.3788426745   6.2374139842 
Mg -11.5570025411   -4.2053778271   3.2238437711 
Mg -5.6911522391   -4.2880757369   -3.8332204543 
Mg -2.8387836829   -4.2701183206   10.8649130231 
Mg 3.0270666192   -4.3528162304   3.8078487978 
Mg -2.8953713033   -4.1793513830   0.7942785847 
Mg 2.9704789987   -4.2620492927   -6.2627856407 
Mg 5.8228475550   -4.2440918765   8.4353478367 
Mg 11.6886978570   -4.3267897862   1.3782836114 
Mg 5.7662599345   -4.1533249388   -1.6352866017 
Mg 11.6321102366   -4.2360228486   -8.6923508271 

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Re: Script two planes

Glenn Nelson
It's been a long time since I had to do surface fitting to data (let alone display of such), so I did a quick search and found an answer for you that not only finds best-fit plane, but also displays the input points with a wireframe to represent the plane, and all of that in a rotating 3D display.
The solution uses matplotlib.pytplot.plot_wireframe() and Axes3D (it imports it, but I don't see it get used). 
Here's the answer, from stackexchange, of course: https://math.stackexchange.com/questions/99299/best-fitting-plane-given-a-set-of-points
----
Glenn Nelson in Santa Cruz


On Tue, May 8, 2018 at 2:16 PM alberto <[hidden email]> wrote:
Hi Paul,
I would visualize the atoms of two planes to see how much they are tilted. I'm a beginner of python, but I think that matplotlib is necessary.

Alberto

Il mar 8 mag 2018 09:18 PM Paul Hobson <[hidden email]> ha scritto:
Alberto,

It should be possible to do that with python, but I don't see a path forward where matplotlib is required. Linear algebra and interpolation available in numpy and scipy should suffice.
-Paul

On Tue, May 8, 2018 at 12:13 PM, alberto <[hidden email]> wrote:
Hi 
I have a set of cartesian coordinates that define two plane of different atoms. 
Is it possible calculate distance and orthogonal projection? 
regards 

Alberto 

This is my data 

24 
test plane 

Pb -9.9300426676   4.1025666804   8.7420388123
Pb -4.0641923655   4.0198687706   1.6849745870
Pb -9.9866302880   4.1933336180   -1.3285956262 
Pb -4.1207799859   4.1106357083   -8.3856598515 
Pb -1.2684114297   4.1285931245   6.3124736259
Pb 4.5974388723   4.0458952147   -0.7445905994
Pb -1.3249990502   4.2193600622   -3.7581608126 
Pb 4.5408512519   4.1366621524   -10.8152250379 
Pb 7.3932198081   4.1546195686   3.8829084395 
Pb 13.2590701101   4.0719216589   -3.1741557858 
Pb 7.3366321877   4.2453865063   -6.1877259990
Pb 13.2024824897   4.1626885965   -13.2447902243 
Mg -11.5004149207   -4.2961447648   13.2944782095 
Mg -5.6345646187   -4.3788426745   6.2374139842 
Mg -11.5570025411   -4.2053778271   3.2238437711 
Mg -5.6911522391   -4.2880757369   -3.8332204543 
Mg -2.8387836829   -4.2701183206   10.8649130231 
Mg 3.0270666192   -4.3528162304   3.8078487978 
Mg -2.8953713033   -4.1793513830   0.7942785847 
Mg 2.9704789987   -4.2620492927   -6.2627856407 
Mg 5.8228475550   -4.2440918765   8.4353478367 
Mg 11.6886978570   -4.3267897862   1.3782836114 
Mg 5.7662599345   -4.1533249388   -1.6352866017 
Mg 11.6321102366   -4.2360228486   -8.6923508271 

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