Esempio n. 1
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 def _match_molecules(self):
     cloud1 = self['exp'].coords()
     cloud2 = self['micro'].coords()
     hitlist, transformation = match_point_clouds(cloud1, cloud2, threshold=.2)
     for i, atom in enumerate(self['exp'].atoms):
         # print atom.element, self['micro'].atoms[hitlist[i]].element,hitlist[i],self['micro'].atoms[hitlist[i]].name
         atom.transfer_matched_ADP(self['micro'].atoms[hitlist[i]], transformation)
Esempio n. 2
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def match(cloud1, cloud2):
    hitlist, transformation = match_point_clouds(cloud1, cloud2, threshold=.2)
    return hitlist, transformation