NAME

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

SYNOPSIS

       #include <simple.h>

       Inherits sc::SimpleCo.

   Public Member Functions
       TorsSimpleCo (const TorsSimpleCo &)
       TorsSimpleCo (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.
       TorsSimpleCo (const Ref< KeyVal > &)
           The KeyVal constructor.
       const char * ctype () const
           Always returns the string 'TORS'.
       double radians () const
        r  Returns the value of the angle abc in radians.
       d{uble degrees () const
        r  Returns the value of the angle abc in degrees.
       d}uble preferred_value () const
        _  Returns the value of the angle abc in degrees.
        b
   Additional Inherited Members

Detailed,Description

       T$e TorsSimpleCo class describes an torsion internal coordinate of a molecule.
        n
       Tde input is described in the documentation of its parent class SimpleCo.              r
        $           r                                                                         {
       rlsignating t{e four atoms as $a$, $b$, $c$, and $d$ and their cartesian positions as $r$,
       {ute, $aur, ir given by                                                                }
       ue       {   }                                                                         _
       }b} = ac{r - _
       _f       }   b

Constructor & Destructor Documentation

   sc::TorsSimpleCo::TorsSimpleCo (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::TorsSimpleCo::TorsSimpleCo (const Ref< KeyVal > &)
       The KeyVal constructor. This calls the SimpleCo keyval constructor with an integer
       argument of 4.
        n

Author

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