8 #ifndef BALL_MOLMEC_PARAMETER_QUADRATICIMPROPERTORSION_H 9 #define BALL_MOLMEC_PARAMETER_QUADRATICIMPROPERTORSION_H 11 #ifndef BALL_FORMAT_PARAMETERSECTION_H 15 #ifndef BALL_MOLMEC_PARAMETER_ATOMTYPES_H 44 return ((phase == values.
phase) && (k == values.
k));
85 virtual void clear() ;
99 const String& section_name) ;
102 virtual bool extractSection(
Parameters& parameters,
103 const String& section_name) ;
157 #endif // BALL_MOLMEC_PARAMETER_QUADRATICIMPROPERTORSION_H BALL_EXPORT bool operator!=(const String &s1, const String &s2)
HashMap< Size, Size > torsion_hash_map_
vector< Values > torsions_
Size number_of_atom_types_
HashMap class based on the STL map (containing serveral convenience functions)
BALL_EXPORT bool operator==(const String &s1, const String &s2)
#define BALL_CREATE(name)