5 #ifndef BALL_STRUCTURE_RESIDUECHECKER_H
6 #define BALL_STRUCTURE_RESIDUECHECKER_H
8 #ifndef BALL_MATHS_COMMON_H
16 #ifndef BALL_CONCEPT_PROCESSOR_H
20 #ifndef BALL_DATATYPE_BITVECTOR_H
#define BALL_CREATE(name)
virtual ~ResidueChecker()
FragmentDB * fragment_db_
ResidueChecker(const ResidueChecker &residue_checker)
bool checkCharge(const Residue &res, const String &res_name)
bool isEnabled(TestType t) const
bool isSelectionEnabled()
ResidueChecker(FragmentDB &fragment_db)
@ STRONGLY_OVERLAPPING_ATOMS
@ NON_INTEGRAL_NET_CHARGE
bool checkAtomPositions(const Residue &res, const String &res_name)
void enable(TestType t, bool enable=true)
bool checkCompleteness(const Residue &res, const Residue &reference, const String &res_name)
bool checkTemplate(const Residue &res, const Residue &reference, const String &res_name)