Additional way to check for Bucklers: evaluate Bond Angles.
cparts1 opened this issue · comments
Model for a buckler has two stronger contacts and a weak third contact. Therefore the two stronger bonds should be nearly colinear. Filter for 3-contact particles, disregard the weakest bond, and plot the remaining Bond Angles' deviation from 180°.
Alright so screwed around with this for a while. Bond info eventually loaded but it just takes forever for some unknown reason. Created a cute little dataframe of bucklers under the contacts df. Struggled to use the coordinates of the bucklers to pare down the datadict. Maybe bond angle is the way to go? I think it will be challenging to incorporate the x,y coordinates to check contact # there though... Heading to a group meeting but might try that out later