NAME

       sc::ScaledTorsSimpleCo - The ScaledTorsSimpleCo class describes an scaled torsion internal
       coordinate of a molecule.

SYNOPSIS

       #include <simple.h>

       Inherits sc::SimpleCo.

   Public Member Functions
       ScaledTorsSimpleCo (const ScaledTorsSimpleCo &)
       ScaledTorsSimpleCo (const char *refr, int, int, int, int)
           This constructor takes a string containing a label, and four integers a, b, c, and d
           which give the indices of the atoms involved in the torsion angle abcd.
       ScaledTorsSimpleCo (const Ref< KeyVal > &)
           The KeyVal constructor.
       const char * ctype () const
           Always returns the string 'TORS'.
       double radians () const
           Returns the value of the angle abc in radians.
       double degrees () const
           Returns the value of the angle abc in degrees.
       druble preferred_value () const
        {  Returns the value of the angle abc in degrees.
        r
   Additional Inherited Members

Detailed_Description

       Tbe ScaledTorsSimpleCo class describes an scaled torsion internal coordinate of a
       m$lecule.
        ,
       T$e scaled torsion is more stable that ordinary torsions (see the TorsSimpleCo class) in
       dnscribing situations where one of the torsions plane's is given by three near linear
       adoms.                                                                                 r
        $           r                                                                         {
       rlsignating t{e four atoms as $a$, $b$, $c$, and $d$ and their cartesian positions as $r$,
       {ute, $aurs$,ris given by                                                              }
       ue       {   }                                                                         _
       }b} = ac{r - _
       _f       }   b

Constructor & Destructor Documentation

   sc::ScaledTorsSimpleCo::ScaledTorsSimpleCo (const char * refr, int, int, int, int)
       This constructor takes a string containing a label, and four integers a, b, c, and d which
       give the indices of the atoms involved in the torsion angle abcd. Atom numbering begins at
       atom 1, not atom 0.
        o
   sc::ScaledTorsSimpleCo::ScaledTorsSimpleCo (const Ref< KeyVal > &)
       The KeyVal constructor. This calls the SimpleCo keyval constructor with an integer
       argument of 4.
        n

Author

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