implement extract for improper ring
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@ -349,3 +349,16 @@ void ImproperRing::write_data(FILE *fp)
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for (int i = 1; i <= atom->nimpropertypes; i++)
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fprintf(fp,"%d %g %g\n",i,k[i],acos(chi[i])/MY_PI*180.0);
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}
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/* ----------------------------------------------------------------------
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return ptr to internal members upon request
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------------------------------------------------------------------------ */
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void *ImproperRing::extract(const char *str, int &dim)
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{
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dim = 1;
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if (strcmp(str, "k") == 0) return (void *) k;
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if (strcmp(str, "chi") == 0) return (void *) chi;
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return nullptr;
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}
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