angle calculation query

[thgink]

Dear Developers:
When I try the crystallographic calculator built-in MTEX-5.3, it seemed that the angle calculation would not work in the normal way. For instance, in the FCC copper, the crystal direction [1 0 0] is perpendicular to [0 1 1], while the function angle gives a result with "45" degree.
code:
cs=crystalSymmetry.load('Cu-Copper.cif')
angle(Miller(1,0,0,cs,'hkl'),Miller(0,1,1,cs,'uvw'))./degree
% 45
angle(Miller(1,0,0,cs,'uvw'),Miller(0,1,1,cs,'uvw'))./degree
% 45

[kilir]

Hi,
angle takes always the smallerst angle between symmetrically equivalent directions.
Try:

angle(Miller(1,0,0,cs,'uvw'),Miller(0,1,1,cs,'uvw'),'noSymmetry')./degree

[thgink]

Hi,
"angle(Miller(1,0,0,cs,'uvw'),Miller(0,1,1,cs,'uvw'),'noSymmetry')./degree" do gives the right results, while in a deeper case, for instance in the function orientation.map, still a relevant error pops out.

a=crystalSymmetry('m-3m',[5.9612,5.9612,5.9612],[90,90,90]degree, 'X||a','Z||c','mineral','Autensite');
m=crystalSymmetry('2',[4.5134,5.2117,38.2979],[90,87.5,90]degree, 'X||a','Z||c','mineral','Martensite');
misori = orientation.map(Miller(0,1,1,a,'hkl'),Miller(1,-1,1,a,'uvw'),Miller(-1,-2,8,m,'hkl'),Miller(-2,1,0,m,'uvw'));

Here, (0,1,1)⊥[1,-1,1] in the autensite and (-1,-2,8)⊥[-2,1,0] in the martensite.

[kilir]

I think that is in one part the syntax you had in the map command and actually for me, your definition of m throws an error related to the alignment - but I guess that's your * signs are missing:

a=crystalSymmetry('m-3m',[5.9612,5.9612,5.9612],[90,90,90]*degree, 'X||a','Z||c','mineral','Autensite');
m=crystalSymmetry('2',[4.5134,5.2117,38.2979],[90,87.5,90]*degree, 'X||a','Z||c*','mineral','Martensite');

angle(Miller(0,1,1,a,'hkl'),Miller(1,-1,1,a,'uvw'),'noSymmetry')/degree
angle(Miller(-1,-2,8,m,'hkl'),Miller(-2,1,0,m,'uvw'),'noSymmetry')/degree

misori = orientation.map(Miller(0,1,1,a,'hkl'),Miller(-1,-2,8,m,'hkl'),Miller(1,-1,1,a,'uvw'),Miller(-2,1,0,m,'uvw'));

[ralfHielscher]

Hi, you are using the wrong syntax for orientation.map Have a look here https://mtex-toolbox.github.io/RotationDefinition.html#11 for the correct ordering of the arguments ******************************************************************** Ralf Hielscher Tel: +371-531-38556 Fakultät für Mathematik +371-531-22200 (Sekr.) Technische Universität Chemnitz Fax: +371-531-22109 Reichenhainer Str. 39 E-mail: [email protected] D-09126 Chemnitz http://www.tu-chemnitz.de/~rahi ********************************************************************

…

On Mon, Jul 13, 2020 at 3:12 PM thgink ***@***.***> wrote: Hi, "angle(Miller(1,0,0,cs,'uvw'),Miller(0,1,1,cs,'uvw'),'noSymmetry')./degree" do gives the right results, while in a more depper case, for instance in the function *orientation.map*, still a relevant error pops out. a=crystalSymmetry('m-3m',[5.9612,5.9612,5.9612],[90,90,90]*degree, 'X||a* ','Z||c','mineral','Autensite'); m=crystalSymmetry('2',[4.5134,5.2117,38.2979],[90,87.5,90]*degree, 'X||a* ','Z||c','mineral','Martensite'); misori = orientation.map(Miller(0,1,1,a,'hkl'),Miller(1,-1,1,a,'uvw'),Miller(-1,-2,8,m,'hkl'),Miller(-2,1,0,m,'uvw')); [image: 2020-07-13_210459] <https://user-images.githubusercontent.com/1176963/87307964-16915b80-c54d-11ea-81c7-385417255052.jpg> Here, (0,1,1)⊥[1,-1,1] in the autensite and (-1,-2,8)⊥[-2,1,0] in the martensite. — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <https://github.com/mtex-toolbox/mtex/issues/502#issuecomment-657551953>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ACBYJ2PSMK6TX4OQXHRK7O3R3MB25ANCNFSM4OYOSB2Q> .

[thgink]

Hi kilir and ralfHielscher,
Thanks very much for your patient answer!