Go to the documentation of this file.
5 #ifndef BALL_MOLMEC_PARAMETER_POTENTIAL1210_H
6 #define BALL_MOLMEC_PARAMETER_POTENTIAL1210_H
8 #ifndef BALL_FORMAT_PARAMETERSECTION_H
12 #ifndef BALL_MOLMEC_PARAMETER_ATOMTYPES_H
80 const String& section_name) ;
84 const String& section_name) ;
127 std::vector<float>
A_;
129 std::vector<float>
B_;
137 #endif // BALL_MOLMEC_PARAMETER_POTENTIAL1210_H
Size number_of_atom_types_
virtual bool extractSection(Parameters ¶meters, const String §ion_name)
Potential1210::Values getParameters(Atom::Type I, Atom::Type J) const
std::vector< bool > is_defined_
virtual bool extractSection(ForceFieldParameters ¶meters, const String §ion_name)
std::vector< String > names_
BALL_EXPORT bool operator==(const String &s1, const String &s2)
Potential1210(const Potential1210 &pot1210)
bool hasParameters(Atom::Type I, Atom::Type J) const
bool assignParameters(Potential1210::Values ¶meters, Atom::Type I, Atom::Type J) const