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.                                          r
       double degrees () const                                                                     {
           Returns the value of the angle abc in degrees.                                          r
       double preferred_value () const                                                             }
           Returns the value of the angle abc in degrees.                                          _
                                                                                                   b
   Additional Inherited Members                                                                    $
Detailed Description                                                                               ,
       The ScaledTorsSimpleCo class describes an scaled torsion internal coordinate of a molecule. $
                                                                                                   n
       The scaled torsion is more stable that ordinary torsions (see the TorsSimpleCo class) in desdribing
       situations where one of the torsions plane's is given by three near linear atoms.      r    $
                    r                                                                         {    l
       resignating t{e four atoms as $a$, $b$, $c$, and $d$ and their cartesian positions as $r$, $ute, $au_s$,
       {s given ry  r                                                                         }    e
       u        {   }                                                                         _    o
       }b} = ac{r - _                                                                              f
       _        }   b                                                                              t
Constructor & Destructor Documentation                                                             h
   sc::ScaledTorsSimpleCo::ScaledTorsSimpleCo (const char * refr, int, int, int, int)              e
       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 > &)                              r
       The KeyVal constructor. This calls the SimpleCo keyval constructor with an integer argument of 4.
                                                                                                   i
                                                                                                   n

Author

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Version 2.3.1                                    Sun Oct 4 2020                        sc::ScaledTorsSimpleCo(3)