Qui updates

nutjunkie · May 14, 2019 · 5b6d52b · 5b6d52b
1 parent e4c0bae
commit 5b6d52b
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Showing 4 changed files with 403 additions and 134 deletions.
diff --git a/src/Qui/InputDialog.C b/src/Qui/InputDialog.C
@@ -943,6 +943,12 @@ void InputDialog::toggleStack(QStackedWidget* stack, bool on, QString model)
 }
 
 
+void InputDialog::on_qui_none(bool on) 
+{
+   toggleStack(m_ui.largeMoleculesStack, on, "LargeMoleculesNone");
+}
+
+
 void InputDialog::on_qui_cfmm_toggled(bool on) 
 {
    toggleStack(m_ui.largeMoleculesStack, on, "LargeMoleculesCFMM");
@@ -958,6 +964,12 @@ void InputDialog::on_ftc_toggled(bool on)
    toggleStack(m_ui.largeMoleculesStack, on, "LargeMoleculesFTC");
 }
 
+void InputDialog::on_qui_use_ri_toggled(bool on) 
+{
+   toggleStack(m_ui.largeMoleculesStack, on, "LargeMoleculesRI");
+}
+
+
 
 /*
 void InputDialog::on_qui_solvent_cosmo_toggled(bool on) 

diff --git a/src/Qui/InputDialog.h b/src/Qui/InputDialog.h
@@ -108,6 +108,8 @@ class InputDialog : public QMainWindow {
       void on_qui_use_case_toggled(bool);
       void on_ftc_toggled(bool);
       void on_qui_cfmm_toggled(bool);
+      void on_qui_use_ri_toggled(bool);
+      void on_qui_none(bool on);
 
       void on_solvent_method_currentTextChanged(QString const&);
 

diff --git a/src/Qui/InputDialogLogic.C b/src/Qui/InputDialogLogic.C
@@ -468,6 +468,30 @@ void InputDialog::initializeQuiLogic()
          Disable(m_ui.scf_guess_mix) + Disable(m_ui.label_scf_guess_mix))
    );
 
+   // GenScfMan
+
+   QtNode& gen_scfman(reg.get("GEN_SCFMAN"));
+   gen_scfman.addRule(
+      If(gen_scfman == QtTrue, 
+         Enable(m_ui.internal_stability)  
+          + Enable(m_ui.os_roscf) 
+          + Enable(m_ui.ghf)
+          + Enable(m_ui.complex),
+         Disable(m_ui.internal_stability)  
+          + Disable(m_ui.os_roscf) 
+          + Disable(m_ui.ghf)
+          + Disable(m_ui.complex)
+      )
+   );
+
+   QtNode& complexNode(reg.get("COMPLEX"));
+   complexNode.addRule(
+      If(complexNode == QtTrue, 
+         Enable(m_ui.complex_mix)  + Enable(m_ui.label_complex_mix),
+         Disable(m_ui.complex_mix) + Disable(m_ui.label_complex_mix)
+      )
+   );
+
 
    QtNode& dualBasisEnergy(reg.get("DUAL_BASIS_ENERGY"));