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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id: HBondModel.C,v 1.12 2005/12/23 17:03:33 amoll Exp $
//
#include <BALL/VIEW/MODELS/HBondModel.h>
#include <BALL/KERNEL/atom.h>
#include <BALL/KERNEL/bond.h>
#include <BALL/VIEW/PRIMITIVES/tube.h>
#include <BALL/VIEW/PRIMITIVES/disc.h>
using namespace std;
namespace BALL
{
namespace VIEW
{
HBondModelProcessor::HBondModelProcessor()
: AtomBondModelBaseProcessor(),
radius_((float)0.3)
{
}
HBondModelProcessor::HBondModelProcessor(const HBondModelProcessor& model)
: AtomBondModelBaseProcessor(model),
radius_(model.radius_)
{
}
HBondModelProcessor::~HBondModelProcessor()
{
#ifdef BALL_VIEW_DEBUG
Log.info() << "Destructing object " << this << " of class HBondModelProcessor" << endl;
#endif
}
void HBondModelProcessor::clear()
{
AtomBondModelBaseProcessor::clear();
radius_ = (float) 0.3;
}
void HBondModelProcessor::set(const HBondModelProcessor& model)
{
AtomBondModelBaseProcessor::set(model);
radius_ = model.radius_;
}
const HBondModelProcessor &HBondModelProcessor::operator = (const HBondModelProcessor& model)
{
set(model);
return *this;
}
Processor::Result HBondModelProcessor::operator() (Composite& composite)
{
if (!RTTI::isKindOf<Atom>(&composite))
{
return Processor::CONTINUE;
}
Atom *atom = RTTI::castTo<Atom>(composite);
Atom::BondIterator bit = atom->beginBond();
for (; +bit; ++bit)
{
// Consider each bond just once (first atom!) and only those which are real H bonds.
if ((bit->getFirstAtom() == atom) && (bit->getType() == Bond::TYPE__HYDROGEN))
{
const Atom* partner = bit->getPartner(*atom);
// generate tubes
const Vector3 v = partner->getPosition() - atom->getPosition();
Vector3 last = atom->getPosition() + v / 4.5;
for (Position p = 0; p < 3; p++)
{
Tube *tube = new Tube;
if (tube == 0) throw Exception::OutOfMemory (__FILE__, __LINE__, sizeof(Tube));
tube->setRadius(radius_);
tube->setComposite(atom);
tube->setVertex1(last);
tube->setVertex2(last + (v / 8.));
geometric_objects_.push_back(tube);
Disc* disc = new Disc(Circle3(last, -v, radius_));
if (!disc) throw Exception::OutOfMemory (__FILE__, __LINE__, sizeof(Disc));
disc->setComposite(atom);
geometric_objects_.push_back(disc);
disc = new Disc(Circle3(last + (v / 8), v, radius_));
if (!disc) throw Exception::OutOfMemory (__FILE__, __LINE__, sizeof(Disc));
disc->setComposite(atom);
geometric_objects_.push_back(disc);
last += (v /4.);
}
}
}
return Processor::CONTINUE;
}
} // namespace VIEW
} // namespace BALL
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