Index

Core dictionary version 3.0.14

_geom_angle.value

Definition:

   
     Angle defined by the atoms located at atom_site_x/site_symmetry_x for
     x = 1,2,3. The vertex atom is at site x = 2.

Type: Real

Units: degrees

Evaluation method:

     With a as geom_angle
     xc = List()
     bundle = [[a.site_symmetry_1,a.atom_site_label_1],
               [a.site_symmetry_2,a.atom_site_label_2],
               [a.site_symmetry_3.a.atom_site_label_3]]
     for symop,label in bundle {
         xf   =   SymEquiv(symop,  _atom_site[label].fract_xyz)
         xc ++=  _atom_sites_Cartn_transform.matrix * xf
     }
       v1,v2  =  xc[0]-xc[1], xc[2]-xc[1]
 
      _geom_angle.value =  Acosd ( v1 * v2 / ( Norm (v1) * Norm (v2) ) )

Category:
geom_angle