MPQC 2.3.1
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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. |
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.