Crystallographic Information Framework

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Core dictionary version 3.0.14

_function.AtomType

Name:
_function.AtomType

Definition:

   
     The function
               r  =  AtomType( s )
 
     returns an atom type symbol (element name) from the atom site label.

Type: Code

Evaluation method:

     Function AtomType( s :[Single, Code])  {  # atom label
 
        m = Len(s)
        n = 1
        If (m > 1 and s[1] not in '0123456789') n = 2
        If (m > 2 and s[2]     in '+-'        ) n = 3
        If (m > 3 and s[3]     in '+-'        ) n = 4
 
                 AtomType =  s[0:n]
     }

Category:
function