void Group::loadFromFile(QString const& filePath)
{
QFileInfo info(filePath);
QString name(info.completeBaseName());
setText(name);
setFlags(Qt::ItemIsSelectable | Qt::ItemIsEnabled);
Parser::ParseFile parser(filePath);
parser.start();
parser.wait();
QStringList errors(parser.errors());
if (!errors.isEmpty()) {
QMsgBox::warning(0, "IQmol", errors.join("\n"));
}
IQmol::Data::Bank& bank(parser.data());
Factory& factory(Factory::instance());
List data(factory.toLayers(bank));
List::iterator iter;
for (iter = data.begin(); iter != data.end(); ++iter) {
addAtoms((*iter)->findLayers<Atom>(Children));
addBonds((*iter)->findLayers<Bond>(Children));
}
}
void TensegrityModel::addBondGroups(tgStructure& structure, const Yam& bond_groups, tgBuildSpec& spec) {
if (!bond_groups) return;
// go through first level keys
for (YAML::const_iterator firstLvl = bond_groups.begin(); firstLvl != bond_groups.end(); ++firstLvl) {
std::string bonds;
std::string tags;
bool bondsSet = false;
bool tagsSet = false;
std::string firstLvlKey = firstLvl->first.as<std::string>();
Yam firstLvlContent = firstLvl->second;
// bonds must use the '/' notation
if (firstLvlKey.find("/") == std::string::npos) { // firstLvlKey is a tag
tags = firstLvlKey;
tagsSet = true;
}
else { // firstLvlKey is a bond
bonds = firstLvlKey;
bondsSet = true;
}
// go through second level keys
for (YAML::const_iterator secondLvl = firstLvlContent.begin(); secondLvl != firstLvlContent.end(); ++secondLvl) {
std::string secondLvlKey = secondLvl->first.as<std::string>();
Yam secondLvlContent = secondLvl->second;
if (secondLvlKey.find("/") == std::string::npos) { // secondLvlKey is a tag
// a bond must be nested inside a tag or vice versa
if (tagsSet) throw std::invalid_argument("Invalid nesting of tags: "+ secondLvlKey);
tags = secondLvlKey;
}
else { // secondLvlKey is a bond
if (bondsSet) throw std::invalid_argument("Invalid nesting of bonds: " + secondLvlKey);
bonds = secondLvlKey;
}
addBonds(structure, bonds, tags, secondLvlContent, spec);
}
}
}
