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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
//
#include <BALL/VIEW/DIALOGS/compositeProperties.h>
#include <BALL/VIEW/KERNEL/common.h>
#include <BALL/KERNEL/PTE.h>
#include <BALL/KERNEL/residue.h>
#include <BALL/VIEW/WIDGETS/propertyEditor.h>
#include <QtWidgets/QLineEdit>
#include <QtWidgets/QPushButton>
namespace BALL
{
namespace VIEW
{
CompositeProperties::CompositeProperties(Composite* composite, QWidget* parent,
const char* name, bool, Qt::WindowFlags fl )
: QDialog(parent, fl),
Ui_CompositePropertiesData(),
composite_(composite)
{
setupUi(this);
connect(buttonBox, SIGNAL(accepted()), named, SLOT(apply()));
connect(buttonBox, SIGNAL(rejected()), named, SLOT(reset()));
tabWidget->setTabText(0, tr("Standard"));
tabWidget->setTabText(1, tr("Named"));
named->setPropertyManager(dynamic_cast<PropertyManager*>(composite));
setObjectName(name);
if (RTTI::isKindOf<AtomContainer>(composite))
{
name_edit->setText(((AtomContainer*)composite)->getName().c_str());
if (RTTI::isKindOf<Residue>(composite))
{
id_edit->setText(((Residue*)composite)->getID().c_str());
}
}
if (!RTTI::isKindOf<Residue>(composite))
{
residues_box->setEnabled(false);
}
if (!RTTI::isKindOf<Atom>(composite))
{
atoms_box->setEnabled(false);
return;
}
Atom* atom = (Atom*)composite;
name_edit->setText(((Atom*)composite)->getName().c_str());
type_edit->setText(String(atom->getType()).c_str());
type_name_edit->setText(atom->getTypeName().c_str());
charge_edit->setText(String(atom->getCharge()).c_str());
formal_charge_edit->setText(String(atom->getFormalCharge()).c_str());
radius_edit->setText(String(atom->getRadius()).c_str());
position_edit->setText((String("(") +
getString_(atom->getPosition().x) + String("|") +
getString_(atom->getPosition().y) + String("|") +
getString_(atom->getPosition().z) + String(")")).c_str());
force_edit->setText((String("(") +
getString_(atom->getForce().x * pow(10., 12)) + String("|") +
getString_(atom->getForce().y * pow(10., 12)) + String("|") +
getString_(atom->getForce().z * pow(10., 12)) + String(")")).c_str());
velocity_edit->setText((String("(") +
getString_(atom->getVelocity().x) + String("|") +
getString_(atom->getVelocity().y) + String("|") +
getString_(atom->getVelocity().z) + String(")")).c_str());
vector<String> elements;
Element element;
for (Position nr = 1; ; nr++)
{
element = PTE.getElement(nr);
if (element == Element::UNKNOWN) break;
elements.push_back(element.getSymbol());
}
sort(elements.begin(), elements.end());
for (Position nr = 1; nr < elements.size(); nr++)
{
element_box->addItem(elements[nr].c_str());
}
String symb = atom->getElement().getSymbol();
element_box->setCurrentIndex(element_box->findText(symb.c_str()));
}
String CompositeProperties::getString_(float data) const
{
String result(data);
result.trimRight("0");
if (result.hasSuffix(".")) result.trimRight(".");
return result;
}
CompositeProperties::~CompositeProperties()
{
// no need to delete child widgets, Qt does it all for us
}
void CompositeProperties::accept()
{
try
{
if (RTTI::isKindOf<Atom>(composite_))
{
Atom* atom = (Atom*) composite_;
// if the atomtype has changed, we also want the atom name to be changed
if ( (atom->getElement() != PTE[(ascii(element_box->currentText()))])
&& (atom->getName() == ascii(name_edit->text()))
)
{
String new_name = PTE[(ascii(element_box->currentText()))].getSymbol();
// get the old atomnumber
String old_name = atom->getName();
old_name.toUpper();
new_name += old_name.trimLeft("ABCDEFGHIJKLMNOPQRSTUVWXYZ ");
atom->setName(new_name);
//getMainControl()->update(*atom);
}
else
{
atom->setName(ascii(name_edit->text()));
}
atom->setType(ascii(type_edit->text()).toShort());
atom->setTypeName(ascii(type_name_edit->text()));
atom->setCharge(ascii(charge_edit->text()).toFloat());
atom->setFormalCharge(ascii(formal_charge_edit->text()).toInt());
atom->setRadius(ascii(radius_edit->text()).toFloat());
atom->setElement(PTE[(ascii(element_box->currentText()))]);
String text = ascii(position_edit->text());
vector<String> fields;
text.split(fields, "()|, ");
if (fields.size() != 3)
{
Log.error() << (String)tr("Invalid values for position!") << std::endl;
return;
}
atom->setPosition(Vector3(fields[0].toFloat(),
fields[1].toFloat(),
fields[2].toFloat()));
text = ascii(velocity_edit->text());
text.split(fields, "(),| ");
if (fields.size() != 3)
{
Log.error() << (String)tr("Invalid values for velocity!") << std::endl;
return;
}
atom->setVelocity(Vector3(fields[0].toFloat(),
fields[1].toFloat(),
fields[2].toFloat()));
text = ascii(force_edit->text());
text.split(fields, "(),| ");
if (fields.size() != 3)
{
Log.error() << (String)tr("Invalid values for force!") << std::endl;
return;
}
atom->setForce(Vector3(fields[0].toFloat(),
fields[1].toFloat(),
fields[2].toFloat()));
}
}
catch(Exception::InvalidFormat&)
{
Log.error() << (String)tr("Invalid value, try a floating point number!") << std::endl;
return;
}
if (RTTI::isKindOf<AtomContainer>(composite_))
{
((AtomContainer*)composite_)->setName(ascii(name_edit->text()));
}
if (RTTI::isKindOf<Residue>(composite_))
{
Residue* residue = (Residue*) composite_;
residue->setID(ascii(id_edit->text()));
}
QDialog::accept();
// Sending of messages to update Scene is done in MolecularControl
}
}
}
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