diff --git a/src/MOFFF/improper_inversion_harmonic.cpp b/src/MOFFF/improper_inversion_harmonic.cpp index c0de968626..681811594b 100644 --- a/src/MOFFF/improper_inversion_harmonic.cpp +++ b/src/MOFFF/improper_inversion_harmonic.cpp @@ -332,3 +332,15 @@ void ImproperInversionHarmonic::write_data(FILE *fp) for (int i = 1; i <= atom->nimpropertypes; i++) fprintf(fp,"%d %g %g\n",i,kw[i],w0[i]/MY_PI*180.0); } + +/* ---------------------------------------------------------------------- + return ptr to internal members upon request +------------------------------------------------------------------------ */ + +void *ImproperInversionHarmonic::extract(const char *str, int &dim) +{ + dim = 1; + if (strcmp(str, "kw") == 0) return (void *) kw; + if (strcmp(str, "w0") == 0) return (void *) w0; + return nullptr; +}