diff --git a/src/MOFFF/angle_class2_p6.cpp b/src/MOFFF/angle_class2_p6.cpp index 39dec0d9d6..f2667fb17b 100644 --- a/src/MOFFF/angle_class2_p6.cpp +++ b/src/MOFFF/angle_class2_p6.cpp @@ -487,3 +487,19 @@ double AngleClass2P6::single(int type, int i1, int i2, int i3) return energy; } + +/* ---------------------------------------------------------------------- + return ptr to internal members upon request +------------------------------------------------------------------------ */ + +void *AngleClass2P6::extract(const char *str, int &dim) +{ + dim = 1; + if (strcmp(str, "k2") == 0) return (void *) k2; + if (strcmp(str, "k3") == 0) return (void *) k3; + if (strcmp(str, "k4") == 0) return (void *) k4; + if (strcmp(str, "k5") == 0) return (void *) k5; + if (strcmp(str, "k6") == 0) return (void *) k6; + if (strcmp(str, "theta0") == 0) return (void *) theta0; + return nullptr; +}