6 #ifndef BALL_QSAR_CONNECTIVITYBASE_H
7 #define BALL_QSAR_CONNECTIVITYBASE_H
9 #ifndef BALL_COMMON_GLOBAL_H
13 #ifndef BALL_QSAR_DESCRIPTOR_H
20 template <
typename Key,
typename Value>
class HashMap;
HashMap class based on the STL map (containing serveral convenience functions)
virtual ~ConnectivityBase()
bool isValid_(AtomContainer &ac)
void calculate_(AtomContainer &ac)
ConnectivityBase(const String &name)
ConnectivityBase(const ConnectivityBase &cb)
void computeAllDescriptors(AtomContainer &ac)
ConnectivityBase(const String &name, const String &unit)