#include <simple.h>
Inheritance diagram for sc::BendSimpleCo:
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. |
The input is described in the documentation of its parent class SimpleCo.
Designating the three atoms as ,
, and
and their cartesian positions as
,
, and
, the value of the coordinate,
, is given by
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.