6 #ifndef BALL_QSAR_PARTIALCHARGEBASE_H
7 #define BALL_QSAR_PARTIALCHARGEBASE_H
9 #ifndef BALL_QSAR_DESCRIPTOR_H
void setDataFolder(const char *folder)
void calculate_(AtomContainer &ac)
bool isValid_(AtomContainer &ac)
void computeAllDescriptors(AtomContainer &ac)
PartialChargeBase(const PartialChargeBase &pcb)
virtual ~PartialChargeBase()
PartialChargeBase(const String &name, const String &unit)
PartialChargeBase(const String &name)