sc_OutSimpleCo man page

sc::OutSimpleCo —

Synopsis

Inherits sc::SimpleCo.

Public Member Functions

OutSimpleCo (const OutSimpleCo &)

OutSimpleCo (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 out-of-plane angle abcd.
OutSimpleCo (const Ref< KeyVal > &)
The KeyVal constructor.
const char * ctype () const
Always returns the string 'OUT'.
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

Constructor & Destructor Documentation

sc::OutSimpleCo::OutSimpleCo (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 out-of-plane angle abcd. Atom numbering begins at atom 1, not atom 0.

sc::OutSimpleCo::OutSimpleCo (const Ref< KeyVal > &)

The KeyVal constructor. This calls the SimpleCo keyval constructor with an integer argument of 4.

Author

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Info

Fri May 6 2016 Version 2.3.1 MPQC