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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
//
// BALLView tutorial example
// ------------------------
// visualise the bounding box of a molecular structure
// BALL includes
#include <BALL/common.h>
#include <BALL/FORMAT/HINFile.h>
#include <BALL/KERNEL/system.h>
#include <BALL/VIEW/KERNEL/representation.h>
#include <BALL/VIEW/KERNEL/mainControl.h>
#include <BALL/VIEW/KERNEL/message.h>
#include <BALL/VIEW/WIDGETS/scene.h>
#include <BALL/VIEW/WIDGETS/geometricControl.h>
#include <BALL/VIEW/WIDGETS/molecularControl.h>
#include <QtWidgets/QApplication>
// include our new processor
#include "glBoundingBoxModel.h"
using namespace BALL;
using namespace BALL::VIEW;
using namespace std;
GLBoundingBoxModel::GLBoundingBoxModel()
: color_(),
new_start_(true),
start_composite_(0),
bbox_()
{
}
GLBoundingBoxModel::~GLBoundingBoxModel()
{
}
void GLBoundingBoxModel::setColor(const ColorRGBA &color)
{
color_ = color;
}
bool GLBoundingBoxModel::start()
{
new_start_ = true;
start_composite_ = 0;
return ModelProcessor::start();
}
bool GLBoundingBoxModel::finish()
{
Composite *root = &(start_composite_->getRoot());
// if the bounding box is degenerated or if the root of the composite is no
// System, do not create a bounding box
if (bbox_.a == bbox_.b || !RTTI::isKindOf<System>(root))
{
return false;
}
// use a MolecularInformation visitor to gain information about the
// molecular structure wa are processing at the moment
MolecularInformation molecular_information;
start_composite_->host(molecular_information);
// create a SimpleBox with the boundaries of the calculated box and set
// its properties with help from MolecularInformation
SimpleBox* pbox = new SimpleBox();
pbox->a = bbox_.a ;
pbox->b = bbox_.b;
pbox->setColor(color_);
geometric_objects_.push_back(pbox);
// TODO
// move that to the main program
Log.info() << "Bounding Box: " << bbox_.a << " " << bbox_.b << endl;
return true;
}
Processor::Result GLBoundingBoxModel::operator() (Composite &composite)
{
// store the composite we started at because we will need it when finishing
if (start_composite_ == 0)
{
start_composite_ = &composite;
}
// if we do not encounter an atom, skip it
if (!RTTI::isKindOf<Atom>(&composite))
{
return Processor::CONTINUE;
}
// cast the current item to Atom in order to use Atom related methods
Atom *atom = RTTI::castTo<Atom>(composite);
// Create a three dimensional Box defined by the atom position
SimpleBox3 bbox(atom->getPosition(), atom->getPosition());
// if we just started, use the just generated box as starting point, else
// join it with the previously calculated one to create a box containing all
// atoms we encountered until now
if (new_start_)
{
bbox_ = bbox;
new_start_ = false;
}
else
{
bbox_.join(bbox);
}
return Processor::CONTINUE;
}
class MyMainframe
: public MainControl
{
public:
BALL_EMBEDDABLE(MyMainframe, MainControl)
MyMainframe(QWidget* parent = 0, const char* name = 0)
: MainControl(parent, name)
{
Scene* scene_ = new Scene(this, "3D View");
scene_->setMinimumSize(10, 10);
setCentralWidget(scene_);
new GeometricControl(this, "Representations");
new MolecularControl(this, "Molecules");
}
};
int main(int argc, char **argv)
{
QApplication application(argc, argv);
MyMainframe mainframe;
mainframe.setIdentifier("MAIN");
mainframe.registerThis();
mainframe.show();
// read a molecule from a file
HINFile infile("bounding_box_example.hin") ;
System* system = new System();
infile >> *system;
infile.close();
mainframe.insert(*system);
// apply the bounding box processor
GLBoundingBoxModel bb_processor;
bb_processor.setColor(ColorRGBA(255,255,255));
system->apply(bb_processor);
Representation* rep = new Representation();
list<GeometricObject*>::Iterator it = bb_processor.getGeometricObjects().begin();
for (;it != bb_processor.getGeometricObjects().end(); ++it)
{
rep->insert(**it);
}
mainframe.insert(*rep);
mainframe.update(*rep);
Stage stage;
stage.getCamera().setViewPoint(Vector3(0,0,0));
stage.getCamera().setLookAtPosition(Vector3(-3,2,-2));
SceneMessage* msg = new SceneMessage(SceneMessage::UPDATE_CAMERA);
msg->setStage(stage);
mainframe.sendMessage(*msg);
return application.exec();
}
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