NAME

       sc::BendSimpleCo - The BendSimpleCo class describes an bend internal coordinate of a
       molecule.

SYNOPSIS

       #include <simple.h>

       Inherits sc::SimpleCo.

   Public Member Functions
       BendSimpleCo (const BendSimpleCo &)
       BendSimpleCo (const char *, int, int, int)
           This constructor takes a string containing a label, and three integers a, b, and c
           which give the indices of the atoms involved in the angle abc.
       BendSimpleCo (const Ref< KeyVal > &)
           The KeyVal constructor.
       const char * ctype () const
           Always returns the string 'BEND'.
       double radians () const
           Returns the value of the angle abc in radians.
       double degrees () const
           Returns the value of the angle abc in degrees.
       double preferred_value () const
           Returns the value of the angle abc in degrees.

   Additional Inherited Members

Detailed Description

       The BendSimpleCo class describes an bend internal coordinate of a molecule.
        r    r
       T{e in}ut is described in the documentation of its parent class SimpleCo.          r
        r    _      r                                                                     {
       r}signcting t{e three atoms as $a$, $b$, and $c$ and their cartesian positions as $r$,
       {_nd $$lur ofrthe coordinate, $heta$, is given by                                  }
       ub    ,  {   }                                                                     _
       }b} = ac{r - _
       _,    h  }   b

Constructor &eDestructor Documentation

   sc::BendSimpleCo::BendSimpleCo (const char *, int, int, int)
       This constructor takes a string containing a label, and three integers a, b, and c which
       give the indices of the atoms involved in the angle abc. Atom numbering begins at atom 1,
       not atom 0.

   sc::BendSimpleCo::BendSimpleCo (const Ref< KeyVal > &)
       The KeyVal constructor. This calls the SimpleCo keyval constructor with an integer
       argument of 3.

Author

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