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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#include <BALL/VIEW/DIALOGS/bondProperties.h>
#include <BALL/VIEW/WIDGETS/molecularControl.h>
#include <BALL/KERNEL/bond.h>
#include <BALL/KERNEL/residue.h>
#include <QtWidgets/QLineEdit>
#include <QtWidgets/QPushButton>
namespace BALL
{
namespace VIEW
{
BondProperties::BondProperties( Atom* atom, QWidget* parent, const char* name, bool, Qt::WindowFlags fl )
: QDialog(parent, fl),
Ui_BondPropertiesData(),
atom_(atom)
{
setupUi(this);
setObjectName(name);
if (atom->countBonds() == 0)
{
((ModularWidget*)parent)->setStatusbarText((String)tr("Atom has no bonds"));
return;
}
parent_ = parent;
String text;
if (atom_->getParent() != 0 &&
RTTI::isKindOf<Residue>(atom_->getParent()))
{
text = ((Residue*) atom_->getParent())->getID();
}
text += atom_->getFullName();
atom_edit->setText(text.c_str());
bond_box->clear();
for (Position pos = 0; pos < atom_->countBonds(); pos++)
{
bond_box->addItem((String(pos + 1) + String(" . Bond")).c_str());
}
bondSelected();
}
BondProperties::~BondProperties()
{
// no need to delete child widgets, Qt does it all for us
}
void BondProperties::bondSelected()
{
if (bond_box->currentIndex() == -1)
{
name_edit->clear();
partner_edit->clear();
order_edit->clear();
type_edit->clear();
length_edit->clear();
return;
}
Bond* bond = atom_->getBond(bond_box->currentIndex());
name_edit->setText(bond->getName().c_str());
String text;
Atom* partner = bond->getPartner(*atom_);
if (partner->getParent() != 0 &&
RTTI::isKindOf<Residue>(partner->getParent()))
{
text = ((Residue*) partner->getParent())->getID();
}
text += partner->getFullName();
partner_edit->setText(text.c_str());
Vector3 v = atom_->getPosition() - bond->getPartner(*atom_)->getPosition();
length_edit->setText((String(v.getLength()) + " A").c_str());
switch(bond->getOrder())
{
case Bond::ORDER__UNKNOWN:
text = (String)tr("Unknown");
break;
case Bond::ORDER__SINGLE:
text = (String)tr("Single");
break;
case Bond::ORDER__DOUBLE:
text = (String)tr("Double");
break;
case Bond::ORDER__TRIPLE:
text = (String)tr("Triple");
break;
case Bond::ORDER__QUADRUPLE:
text = (String)tr("Quadruple");
break;
case Bond::ORDER__AROMATIC:
text = (String)tr("Aromatic");
break;
case Bond::ORDER__ANY:
text = (String)tr("Any");
break;
}
order_edit->setText(text.c_str());
switch (bond->getType())
{
case Bond::TYPE__UNKNOWN:
text = (String)tr("Unknown");
break;
case Bond::TYPE__COVALENT:
text = (String)tr("Covalent");
break;
case Bond::TYPE__HYDROGEN:
text = (String)tr("Hydrogen");
break;
case Bond::TYPE__DISULPHIDE_BRIDGE:
text = (String)tr("Disulphide Bridge");
break;
case Bond::TYPE__SALT_BRIDGE:
text = (String)tr("Salt Bridge");
break;
case Bond::TYPE__PEPTIDE:
text = (String)tr("Peptide");
break;
}
type_edit->setText(text.c_str());
}
void BondProperties::focusAtom()
{
if (!RTTI::isKindOf<MolecularControl>(parent_) ||
bond_box->currentIndex() == -1)
{
return;
}
MolecularControl& mc = *(MolecularControl*) parent_;
list<Composite*> list;
list.push_back(atom_);
mc.highlight(list);
if (atom_->isSelected()) mc.deselect();
else mc.select();
mc.context_composite_ = atom_;
mc.centerCamera();
}
void BondProperties::focusPartner()
{
if (!RTTI::isKindOf<MolecularControl>(parent_) ||
bond_box->currentIndex() == -1)
{
return;
}
Atom* partner = atom_->getBond(bond_box->currentIndex())->getPartner(*atom_);
MolecularControl& mc = *(MolecularControl*) parent_;
list<Composite*> list;
list.push_back(partner);
mc.highlight(list);
if (partner->isSelected()) mc.deselect();
else mc.select();
mc.context_composite_ = partner;
mc.centerCamera();
}
}
}
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