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class HBondProcessor
: CompositeProcessor
{
%TypeHeaderCode
#include <BALL/PYTHON/EXTENSIONS/pyUnaryProcessors.h>
#include <BALL/STRUCTURE/HBondProcessor.h>
%End
public:
class HBond
{
public:
HBond();
HBond(const Atom*, const Atom*, bool);
const Atom * getAcceptor();
const Atom * getDonor();
bool donorIsHydrogen();
float getLength();
};
struct Option
{
static const String PREDICTION_METHOD;
static const String ADD_HBONDS;
static const String KABSCH_SANDER_ENERGY_CUTOFF;
};
struct Default
{
static const String PREDICTION_METHOD;
static const bool ADD_HBONDS;
static const float KABSCH_SANDER_ENERGY_CUTOFF;
};
struct PredictionMethod
{
static const String KABSCH_SANDER;
static const String WISHART_ET_AL;
};
HBondProcessor();
HBondProcessor(Options);
virtual ~HBondProcessor();
Processor::Result operator() (Composite&);
%MethodCode
sipRes = sipCpp->operator () (*a0);
%End
void setDefaultOptions();
Options options;
};
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