//--------------------------------------------------------------
void ofApp::setup() {
ofSetEscapeQuitsApp(false);
play.addListener(this, &ofApp::playPressed);
learnPlay.addListener(this, &ofApp::playPressed);
conductModeButton.addListener(this, &ofApp::conductModeSelected);
learnModeButton.addListener(this, &ofApp::learnModeSelected);
back.addListener(this, &ofApp::backPressed);
learnBack.addListener(this, &ofApp::backPressed);
// Main screen gui
guiModeSelection.setup("", "settings.xml", screenWidth/2, screenHeight/2);
//guiModeSelection.add(conductModeButton.setup("conduct", 50.0F, 50.0F));
//guiModeSelection.add(learnModeButton.setup("learn", 50.0F, 50.0F));
conductModeButton.setup("Conduct", 30.0F, 30.0F);
conductModeButton.setPosition(ofPoint(screenWidth/2-15, screenHeight/2-15));
learnModeButton.setup("Learn", 30.0F, 30.0F);
learnModeButton.setPosition(ofPoint(screenWidth / 2 - 15, screenHeight / 2 + 15));
// Conduct mode gui
//gui.setup();
gui.setup("", "settings.xml", 50.0F, 50.0F);
gui.add(play.setup("play"));
gui.add(volume.setup("volume", 1.0, 0.0, 1.0));
gui.add(speed.setup("tempo", 1.0, 0.5, 2.0));
gui.add(background.setup("background", 0, 0, 8));
gui.add(instruments.setup("instruments", -1, -1, 11));
gui.add(back.setup("back"));
// Learn mode gui
learnGui.setup("", "settings.xml", 50.0F, 500.0F);
learnGui.add(learnPlay.setup("play"));
learnGui.add(learnVolume.setup("volume", 1.0, 0.0, 1.0));
learnGui.add(learnSpeed.setup("tempo", 1.0, 0.5, 2.0));
learnGui.add(learnBackground.setup("background", 0, 0, 8));
learnGui.add(learnPattern.setup("pattern", 1, 1, 3));
learnGui.add(learnBack.setup("back"));
finalVideo = new unsigned char[1440 * 1080 * 3];
finalTexture.allocate(1440, 1080, GL_RGB);
readInputFiles();
for (int i = 0; i < 12; i++) {
showInstrumentsVect.push_back(1);
}
}
int main(int argc, char** argv)
{
if (argc == 1)
{
cerr << "Usage: <program> <SDF-file-list>" << endl;
return 1;
}
std::vector<Linker> linkers;
std::vector<Rigid> rigids;
readInputFiles(argc, argv, linkers, rigids);
cerr << "1" << endl;
Instantiator instantiator(cout);
cerr << "2" << endl;
HyperGraph<Molecule, EdgeAnnotationT> graph = instantiator.Instantiate(linkers, rigids);
cerr << "3" << endl;
PebblerHyperGraph<Molecule, EdgeAnnotationT> pebblerGraph = graph.GetPebblerHyperGraph();
cerr << "4" << endl;
if (DEBUG) cout << graph;
cerr << "5" << endl;
Cleanup(linkers, rigids);
cerr << "6" << endl;
return 0;
}
int main(int argc, char** argv)
{
if (argc < 2)
{
std::cerr << "Usage: <program> [SDF-file-list] -o <output-file> -v <validation-file>"
<< " -pool <#obgen-threads>" << std::endl;
return 1;
}
//
// Remove log files from a previous run.
//
std::string rmString = "rm synth_log*";
system(rmString.c_str());
//
// Global options object.
//
Options options(argc, argv);
if (!options.parseCommandLine())
{
std::cerr << "Command-line parsing failed; exiting." << std::endl;
return 1;
}
//
// Output command-line option information
//
if (!Options::THREADED)
{
std::cout << "\'-threaded\' not specified, but will be used." << std::endl;
}
// Printing the specified Tanimoto value to the user.
std::cerr << "Tanimoto Coefficient Threshold Specified: "
<< Options::TANIMOTO << std::endl;
std::cerr << "OBGEN output thread pool size: "
<< Options::OBGEN_THREAD_POOL_SIZE << std::endl;
if (!readInputFiles(options)) return 1;
//
// Bypass synthesis for acquiring information about the input fragments.
//
if (g_calculate_lipinski_descriptors_for_input_fragments_only)
{
std::cout << "Calculated Lipinski Descriptors for input fragments, now exiting early."
<< " (Flag set in Constants.h)" << std:: endl;
return 0;
}
// Output object for the nodes of the hypergraph.
OBWriter* writer = new OBWriter(Options::OBGEN_THREAD_POOL_SIZE);
writer->InitializeFile(options.outFile);
// The main object that performs synthesis.
Instantiator instantiator(writer, cout);
// Instantiation build the hypergraph; this is the main data structure for the
// resultant molecules.
// Also creates the hypergraph using threaded or non-threaded techniques.
HyperGraph<Molecule, EdgeAnnotationT>* graph = instantiator.ThreadedInstantiate(linkers,
rigids);
std::cout << "Hypergraph contains (" << graph->size() << ") nodes" << std::endl;
std::cout << OBWriter::compliantMols.size()
<< " are Lipinski compliant molecules" << std::endl;
//
// Validate the molecules specified in the validation file (command-line -v)
//
Validator validator(OBWriter::compliantMols);
validator.Validate(options.validationFile);
// Deleting the writer will kill the thread pool.
delete writer;
// For later: pebbling
//PebblerHyperGraph<Molecule, EdgeAnnotationT> pebblerGraph = graph->GetPebblerHyperGraph();
Cleanup(linkers, rigids);
std::cerr << "Exiting the main thread." << std::endl;
return 0;
}
