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// Copyright 2008 Nanorex, Inc. See LICENSE file for details.
#include "Nanorex/Interface/NXMoleculeSet.h"
#include "Nanorex/Interface/NXDataStoreInfo.h"
#include "Plugins/RenderingEngines/OpenGL/NXOpenGLRenderingEngine.h"
#include "Plugins/NanorexMMPImportExport/NanorexMMPImportExport.h"
#include "Plugins/RenderingEngines/OpenGL/Renderers/NXBallAndStickOpenGLRenderer.h"
#include <QApplication>
#include <QMainWindow>
using namespace Nanorex;
using namespace std;
int main(int argc, char *argv[])
{
NXAtomData basRenderData(0);
// create application and main window
QApplication app(argc, argv);
QMainWindow mainWindow;
mainWindow.resize(640, 400);
NXOpenGLRenderingEngine *renderingEngine
= new NXOpenGLRenderingEngine(&mainWindow);
mainWindow.setCentralWidget(renderingEngine);
mainWindow.show();
NXBallAndStickOpenGLRenderer *renderer =
new NXBallAndStickOpenGLRenderer(renderingEngine);
renderingEngine->setRenderer("bas", renderer);
renderingEngine->setRenderer("def", renderer);
renderingEngine->initializePlugins();
basRenderData.setRenderStyleCode("bas");
NXMoleculeSet theMoleculeSet;
NXDataStoreInfo dataStoreInfo;
NanorexMMPImportExport importer;
NXCommandResult const *result =
importer.importFromFile(&theMoleculeSet, &dataStoreInfo,
"PAM3.mmp", 0,0);
if(result->getResult() != (int) NX_CMD_SUCCESS) {
vector<QString> const params = result->getParamVector();
cerr << "Error: ";
vector<QString>::const_iterator paramIter;
for(paramIter = params.begin(); paramIter != params.end(); ++paramIter) {
cerr << ' ' << qPrintable(*paramIter);
}
cerr << endl;
return 1;
}
// renderingEngine->clearFrames();
assert(renderingEngine->getFrameCount() == 0);
result = renderingEngine->addFrame(&theMoleculeSet);
assert(result->getResult() == (int) NX_CMD_SUCCESS);
assert(renderingEngine->getFrameCount() == 1);
// renderingEngine->frames[0]->writeDotGraph(cout);
renderingEngine->setCurrentFrame(0);
// renderingEngine->resetView();
// if(dataStoreInfo.hasLastView()) {
// NXNamedView view = dataStoreInfo.getLastView();
// cerr << "Setting last view:\n" << view << endl;
// renderingEngine->setNamedView(view);
// }
// else if(dataStoreInfo.hasHomeView()) {
// NXNamedView view = dataStoreInfo.getHomeView();
// renderingEngine->setNamedView(view);
// cerr << "Setting home view:\n" << view << endl;
// }
// else {
// cerr << "Resetting view" << endl;
// renderingEngine->resetView();
// }
NXNamedView view("ExptView",
NXQuaternion<double>(1.0, 0.0, 0.0, 0.0),
// NXQuaternion<double>(0.361988,-0.405373,0.362853,0.362853),
3.134019,
NXVector3d(1.713500, -0.638500, -0.232000),
1.0);
cerr << "Setting " << view << endl;
renderingEngine->setNamedView(view);
return app.exec();
}
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