Tutorials

Due to the initial development phase and frequent updates of the VirTex package, we will provide a tutorial along with the package.

Following is short tuortial for using VirTex efficiently.

** After sucessfull installation of VirTex, first task would be to read the file. Based on the input type of you file, we recommend #normal lammps dump format, you would have to choose few inputs for reading the dump files with quartonions.**

Orientation

from virtex.io import readio
names='filename.dummp'
skiprows=9
df=readio(names, skiprows,'lammps_dump')

Note

Convert quartonin angle to rotation matrix using quaternions_to_rotation. Also, make sure you have following columns in dump file ‘orientationx’, ‘orientationy’, ‘orientationz’,’orientationw’

type=’clock’ or ‘left’ clockwise rotation and type=’anticlock’ or ‘right’ anti-clockwise rotation

from virtex.rotation import quaternions_to_rotation
df_rot=quaternions_to_rotation(df, type='clock')

Note

Convert quartonin angle to Euler angles using quaternions_to_euler. Also, make sure you have following columns in dump file ‘orientationx’, ‘orientationy’, ‘orientationz’,’orientationw’

type=’clock’ or ‘left’ clockwise rotation and type=’anticlock’ or ‘right’ anti-clockwise rotation

from virtex.rotation import quaternions_to_euler
df_rot_eul=quaternions_to_euler(df, type='clock')

Note

** The virtex.rotation includes following functionalities **

from virtex.rotation import rotation_to_invcosine # to calculate inverse cosine of rotation matrix (Matrix in terms of degree angles)
from virtex.rotation import angleaxispair # to calculate angle axis pair (rotation angle and component of rotation vectors)
from virtex.rotation import pair_to_rodrigues # to calculate Rodrigues or Rodrigues-Frank vector components
from virtex.rotation import euler_to_rotation # to calculate rotation matrix from Euler angles

Misorientation

Note

For generation misorientation properties we need to first define a refrence rotation matrix For exmaple

Go=[[0,0.70,0.70],[0.57,0.57,0.57],[1.00,0,0]]

from virtex.rotation import misorientation
df_mis=misorientation(df,Go)