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// Copyright 2008 Nanorex, Inc. See LICENSE file for details.
#include "HDF5_Consumer.h"
/* FUNCTION: render */
void HDF5_Consumer::render(int frameSetId, int frameIndex,
NXMoleculeSet* newMoleculeSet) {
// Start printing all frames available from the first render() call
unsigned int frameCount = 0;
NXMoleculeSet* moleculeSet =
entityManager->getRootMoleculeSet(frameSetId, _frameIndex);
while (moleculeSet != 0) {
printf("\n==========================\n");
frameCount = entityManager->getFrameCount(frameSetId);
OBMolIterator moleculeIter = moleculeSet->moleculesBegin();
printf("%d ", (*moleculeIter)->GetAtom(1)->GetAtomicNum());
printf("%g ", (*moleculeIter)->GetAtom(1)->GetZ());
printf("%d ", (*moleculeIter)->NumBonds());
printf("sC=%d ",
entityManager->getDataStoreInfo()->storeIsComplete(frameSetId));
printf("frame: %d%s/%d\n",
_frameIndex+1,
(moleculeSet == newMoleculeSet ? "*" : ""),
frameCount);
_frameIndex++;
moleculeSet =
entityManager->getRootMoleculeSet(frameSetId, _frameIndex);
}
// Stop once the data store is complete
if (entityManager->getDataStoreInfo()->storeIsComplete(frameSetId))
exit(0);
}
/* FUNCTION: main */
int main(int argc, char* argv[]) {
QCoreApplication app(argc, argv);
// Set the entity manager up
//
NXEntityManager* entityManager = new NXEntityManager();
NXProperties* properties = new NXProperties();
properties->setProperty("ImportExport.0.plugin",
"HDF5_SimResultsImportExport");
properties->setProperty("ImportExport.0.exportFormats",
"HDF5 Simulation Results (*.h5 *.nh5)");
properties->setProperty("ImportExport.0.importFormats",
"HDF5 Simulation Results (*.h5 *.nh5)");
entityManager->loadDataImportExportPlugins(properties);
delete properties;
// Prime read
NXCommandResult* commandResult =
entityManager->importFromFile("Testing/shared.nh5");
if (commandResult->getResult() != NX_CMD_SUCCESS) {
printf("%s\n", qPrintable(GetNV1ResultCodeString(commandResult)));
exit(1);
}
// Discover a store-not-complete trajectory frame set
NXDataStoreInfo* dataStoreInfo = entityManager->getDataStoreInfo();
int trajId = dataStoreInfo->getTrajectoryId("frame-set-1");
if (dataStoreInfo->storeIsComplete(trajId)) {
printf("error: data store is complete\n");
exit(1);
}
// Display frames
HDF5_Consumer* hdf5Consumer = new HDF5_Consumer(entityManager);
QObject::connect(entityManager,
SIGNAL(newFrameAdded(int, int, NXMoleculeSet*)),
hdf5Consumer,
SLOT(render(int, int, NXMoleculeSet*)));
return app.exec();
}
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