5 #ifndef BALL_MOLMEC_PARAMETER_COSINETORSION_H
6 #define BALL_MOLMEC_PARAMETER_COSINETORSION_H
8 #ifndef BALL_FORMAT_PARAMETERSECTION_H
12 #ifndef BALL_MOLMEC_PARAMETER_ATOMTYPES_H
60 return ((phase == rhs.
phase) && (V == rhs.
V)
61 && (f == rhs.
f) && (n == rhs.
n));
79 : n((unsigned char)number),
122 if (!(values[i] == rhs.
values[i]))
BALL_EXPORT bool operator==(const String &s1, const String &s2)
BALL_EXPORT bool operator!=(const String &s1, const String &s2)
HashMap class based on the STL map (containing serveral convenience functions)
vector< Values > torsions_
bool hasParameters(Atom::Type I, Atom::Type J, Atom::Type K, Atom::Type L) const
CosineTorsion::Values getParameters(Atom::Type I, Atom::Type J, Atom::Type K, Atom::Type L) const
virtual bool extractSection(ForceFieldParameters ¶meters, const String §ion_name)
CosineTorsion(const CosineTorsion &cosine_torsion)
bool assignParameters(CosineTorsion::Values ¶meters, Atom::Type I, Atom::Type J, Atom::Type K, Atom::Type L) const
HashMap< Size, Size > torsion_hash_map_
virtual bool extractSection(Parameters ¶meters, const String §ion_name)
Size number_of_atom_types_
SingleValues(const SingleValues &v)
void set(const Values &v)