enum struct GmxQmmmMode;
typedef warninp* warninp_t;
+namespace gmx
+{
+class MDLogger;
+}
+
double check_mol(const gmx_mtop_t* mtop, warninp_t wi);
/* Check mass and charge */
const t_inputrec* ir,
std::vector<gmx_molblock_t>* molblock,
bool* ffParametrizedWithHBondConstraints,
- warninp_t wi);
+ warninp_t wi,
+ const gmx::MDLogger& logger);
/* This routine expects sys->molt[m].ilist to be of size F_NRE and ordered. */
-void generate_qmexcl(gmx_mtop_t* sys, t_inputrec* ir, warninp_t wi, GmxQmmmMode qmmmMode);
+void generate_qmexcl(gmx_mtop_t* sys, t_inputrec* ir, warninp_t wi, GmxQmmmMode qmmmMode, const gmx::MDLogger& logger);
#endif