maxwarn, &warncount_lincs);
EXPECT_TRUE(success) << "Test failed with a false return value in LINCS.";
EXPECT_EQ(warncount_lincs, 0) << "There were warnings in LINCS.";
- for (unsigned int i = 0; i < testData->mtop_.moltype.size(); i++)
+ for (auto &moltype : at2con_mt)
{
- sfree(at2con_mt.at(i).index);
- sfree(at2con_mt.at(i).a);
+ sfree(moltype.index);
+ sfree(moltype.a);
}
done_lincs(lincsd);
}