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struct Data
{
%TypeHeaderCode
#include <BALL/MOLMEC/PARAMETER/cosineTorsion.h>
using Data = CosineTorsion::Data;
%End
};
struct SingleData
{
%TypeHeaderCode
#include <BALL/MOLMEC/PARAMETER/cosineTorsion.h>
using SingleData = CosineTorsion::SingleData;
%End
};
struct SingleValues
{
%TypeHeaderCode
#include <BALL/MOLMEC/PARAMETER/cosineTorsion.h>
using SingleValues = CosineTorsion::SingleValues;
%End
SingleValues(const SingleValues& v);
SingleValues();
bool operator == (const SingleValues& rhs);
};
struct Values
{
%TypeHeaderCode
#include <BALL/MOLMEC/PARAMETER/cosineTorsion.h>
using Values = CosineTorsion::Values;
%End
Values();
Values(Size number);
Values(const Values& v);
void set(const Values& v);
~Values();
bool operator == (const Values& rhs) const;
bool operator != (const Values& rhs) const;
};
class CosineTorsion
: ParameterSection
{
%TypeHeaderCode
#include <BALL/MOLMEC/PARAMETER/cosineTorsion.h>
%End
public:
CosineTorsion();
CosineTorsion(const CosineTorsion& cosine_torsion);
virtual ~CosineTorsion();
virtual void clear();
virtual bool extractSection(ForceFieldParameters& parameters, const String& section_name);
virtual bool extractSection(Parameters& parameters, const String& section_name);
bool hasParameters(AtomType I, AtomType J, AtomType K, AtomType L) const;
Values getParameters(AtomType I, AtomType J, AtomType K, AtomType L) const;
bool assignParameters(Values& parameters, AtomType I,
AtomType J, AtomType K, AtomType L) const;
bool operator == (const CosineTorsion& cosine_torsion) const;
};
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