void GuiContainer::loadFromXml(string file) {
controls.clear();
ofxXmlSettings xml;
res.init(file);
xml.loadFile(file);
loadBaseInfo("view", xml, 0);
x = 0;
y = 0;
load();
//movable = xml.getAttribute("view", "movable", 0, 0);
xml.pushTag("view");
int numControls = xml.getNumTags("control");
for(int i = 0; i < numControls; i++) {
GuiControl *c = instantiator(
xml.getAttribute("control", "type", "", i),
xml.getAttribute("control", "name", "", i),
xml.getAttribute("control", "id", "", i), &res, this);
string valueStr = xml.getAttribute("control", "value", "", i);
if(valueStr!="") {
c->valueFromString(valueStr);
}
c->loadBaseInfo("control", xml, i);
c->load();
c->listeners = listeners;
c->numListeners = numListeners;
c->load(xml, i);
add(c);
}
}
GuiControl *GuiContainer::add(string _type, string _name, string _controlId) {
GuiControl *ctrl = instantiator(_type, _name, _controlId, &res, this);
ctrl->load();
add(ctrl);
return ctrl;
}
void GuiControl::saveBaseInfo(string tag, ofxXmlSettings xml, int pos) {
xml.addAttribute(tag, "type", type, pos);
xml.addAttribute(tag, "width", width, pos);
xml.addAttribute(tag, "height", height, pos);
xml.addAttribute(tag, "x", x, pos);
xml.addAttribute(tag, "y", y, pos);
xml.addAttribute(tag, "id", controlId, pos);
xml.addAttribute(tag, "name", name, pos);
xml.addAttribute(tag, "value", this->valueToString(), pos);
vector<ParameterInfo> params = this->getParameterInfo();
for(int i = 0; i < params.size(); i++) {
GuiControl *g = instantiator(params[i].type, "", "", resources, this);
g->value = params[i].value;
xml.addAttribute(tag, params[i].xmlName, g->valueToString(), pos);
}
}
void GuiControl::loadBaseInfo(string tag, ofxXmlSettings xml, int pos) {
x = xml.getAttribute(tag, "x", 0.f, pos);
y = xml.getAttribute(tag, "y", 0.f, pos);
width = xml.getAttribute(tag, "width", 0.f, pos);
height = xml.getAttribute(tag, "height", 0.f, pos);
controlId = xml.getAttribute(tag, "id", "", pos);
name = xml.getAttribute(tag, "name", "", pos);
vector<ParameterInfo> params = this->getParameterInfo();
for(int i = 0; i < params.size(); i++) {
GuiControl *g = instantiator(params[i].type, "", "", resources, this);
g->valueFromString(xml.getAttribute(tag, params[i].xmlName, "", pos));
// this is re-pointing a pointer - what we actually want to do is copy
memcpy(params[i].value, g->value, sizeof(void*));
}
}
void GuiContainer::duplicateFocusedControl() {
if(focusedControl!=NULL) {
ofxXmlSettings xml;
xml.addTag("control");
focusedControl->saveBaseInfo("control", xml, 0);
focusedControl->save(xml, 0);
GuiControl *ctrl = instantiator(focusedControl->type, focusedControl->name, focusedControl->controlId+"1", &res, this);
ctrl->loadBaseInfo("control", xml, 0);
ctrl->load();
ctrl->load(xml, 0);
ctrl->x += 20;
ctrl->y += 20;
ctrl->setEditing(editing);
focusedControl->focus = false;
focusedControl = ctrl;
focusedControl->focus = true;
add(focusedControl);
}
}
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;
}
