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));
76 QuadraticImproperTorsion(const QuadraticImproperTorsion& torsion)
81 virtual ~QuadraticImproperTorsion() ;
85 virtual
void clear() ;
99 const
String& section_name) ;
102 virtual
bool extractSection(
Parameters& parameters,
103 const
String& section_name) ;
114 QuadraticImproperTorsion::
Values getParameters(
Atom::Type I,
Atom::Type J,
121 bool assignParameters(QuadraticImproperTorsion::
Values& parameters,
131 const QuadraticImproperTorsion& operator =
132 (const QuadraticImproperTorsion& torsion) ;
141 bool operator == (const QuadraticImproperTorsion& torsion) const
157 #endif // BALL_MOLMEC_PARAMETER_QUADRATICIMPROPERTORSION_H #define BALL_CREATE(name)
BALL_EXPORT bool operator!=(const String &s1, const String &s2)
BALL_EXPORT bool operator==(const String &s1, const String &s2)
-*- Mode: C++; tab-width: 2; -*-
HashMap class based on the STL map (containing serveral convenience functions)