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fix: enable atom type and master term remove functionality #1883

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fix: enable atom type and master term remove functionality #1883

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efd5390
enable atom type and master term remove buttons, connect
RobBuchananCompPhys Apr 24, 2024
77d3b74
update remove references to atom type shared pointer
RobBuchananCompPhys Apr 26, 2024
410b42d
erase with remove
RobBuchananCompPhys Apr 29, 2024
e58ca2f
remove master terms from model
RobBuchananCompPhys Apr 29, 2024
2d8cf07
copy terms to species
RobBuchananCompPhys Apr 30, 2024
9ebd8ac
fix add term typo
RobBuchananCompPhys Apr 30, 2024
72b5e33
clang formatting
RobBuchananCompPhys Apr 30, 2024
d82d584
address PR comments
RobBuchananCompPhys May 2, 2024
2dd9211
address PR comments 2
RobBuchananCompPhys May 2, 2024
f5ba4d5
formatting
RobBuchananCompPhys May 2, 2024
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50 changes: 49 additions & 1 deletion src/gui/forcefieldTab.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -67,6 +67,14 @@ ForcefieldTab::ForcefieldTab(DissolveWindow *dissolveWindow, Dissolve &dissolve,
SLOT(masterTorsionsDataChanged(const QModelIndex &, const QModelIndex &)));
connect(&masterImpropersTableModel_, SIGNAL(dataChanged(const QModelIndex &, const QModelIndex &)), this,
SLOT(masterImpropersDataChanged(const QModelIndex &, const QModelIndex &)));
connect(ui_.MasterBondsTable->selectionModel(), SIGNAL(selectionChanged(const QItemSelection &, const QItemSelection &)),
this, SLOT(masterBondsSelectionChanged(const QItemSelection &, const QItemSelection &)));
connect(ui_.MasterAnglesTable->selectionModel(), SIGNAL(selectionChanged(const QItemSelection &, const QItemSelection &)),
this, SLOT(masterAnglesSelectionChanged(const QItemSelection &, const QItemSelection &)));
connect(ui_.MasterTorsionsTable->selectionModel(), SIGNAL(selectionChanged(const QItemSelection &, const QItemSelection &)),
this, SLOT(masterTorsionsSelectionChanged(const QItemSelection &, const QItemSelection &)));
connect(ui_.MasterImpropersTable->selectionModel(), SIGNAL(selectionChanged(const QItemSelection &, const QItemSelection &)),
this, SLOT(masterImpropersSelectionChanged(const QItemSelection &, const QItemSelection &)));

/*
* Atom Types
Expand Down Expand Up @@ -283,10 +291,30 @@ void ForcefieldTab::on_AtomTypeAddButton_clicked(bool checked)
dissolveWindow_->setModified();
}

void ForcefieldTab::on_AtomTypeRemoveButton_clicked(bool checked) { Messenger::error("NOT IMPLEMENTED YET.\n"); }
void ForcefieldTab::on_AtomTypeRemoveButton_clicked(bool checked)
{
auto index = ui_.AtomTypesTable->currentIndex();
if (!index.isValid())
return;

// Get selected atomtype
auto at = atomTypesModel_.rawData(index);
if (!at)
return;

dissolve_.coreData().removeAtomType(at);

Locker refreshLocker(refreshLock_);

atomTypesModel_.setData(dissolve_.coreData().atomTypes());
ui_.AtomTypesTable->resizeColumnsToContents();

dissolveWindow_->setModified();
}

void ForcefieldTab::atomTypeSelectionChanged(const QItemSelection &current, const QItemSelection &previous)
{
ui_.AtomTypeRemoveButton->setEnabled(!current.empty());
ui_.AtomTypeDuplicateButton->setEnabled(!current.empty());
}

Expand Down Expand Up @@ -470,6 +498,26 @@ void ForcefieldTab::masterImpropersDataChanged(const QModelIndex &, const QModel
dissolveWindow_->setModified();
}

void ForcefieldTab::masterBondsSelectionChanged(const QItemSelection &current, const QItemSelection &previous)
{
ui_.MasterTermRemoveBondButton->setEnabled(!current.empty());
}

void ForcefieldTab::masterAnglesSelectionChanged(const QItemSelection &current, const QItemSelection &previous)
{
ui_.MasterTermRemoveAngleButton->setEnabled(!current.empty());
}

void ForcefieldTab::masterTorsionsSelectionChanged(const QItemSelection &current, const QItemSelection &previous)
{
ui_.MasterTermRemoveTorsionButton->setEnabled(!current.empty());
}

void ForcefieldTab::masterImpropersSelectionChanged(const QItemSelection &current, const QItemSelection &previous)
{
ui_.MasterTermRemoveImproperButton->setEnabled(!current.empty());
}

void ForcefieldTab::on_MasterTermAddBondButton_clicked(bool checked)
{
dissolve_.coreData().addMasterBond(
Expand Down
4 changes: 4 additions & 0 deletions src/gui/forcefieldTab.h
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Original file line number Diff line number Diff line change
Expand Up @@ -108,6 +108,10 @@ class ForcefieldTab : public QWidget, public MainTab
void masterAnglesDataChanged(const QModelIndex &, const QModelIndex &);
void masterTorsionsDataChanged(const QModelIndex &, const QModelIndex &);
void masterImpropersDataChanged(const QModelIndex &, const QModelIndex &);
void masterBondsSelectionChanged(const QItemSelection &, const QItemSelection &);
void masterAnglesSelectionChanged(const QItemSelection &, const QItemSelection &);
void masterTorsionsSelectionChanged(const QItemSelection &, const QItemSelection &);
void masterImpropersSelectionChanged(const QItemSelection &, const QItemSelection &);
void on_MasterTermAddBondButton_clicked(bool checked);
void on_MasterTermRemoveBondButton_clicked(bool checked);
void on_MasterTermAddAngleButton_clicked(bool checked);
Expand Down