Some cleanups of unused code

Signed-off-by: Geoff Hutchison <[email protected]>
ghutchis · Feb 2, 2024 · d095e6b · d095e6b
1 parent 5631f0d
commit d095e6b
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Showing 3 changed files with 8 additions and 60 deletions.
diff --git a/avogadro/qtplugins/forcefield/forcefield.cpp b/avogadro/qtplugins/forcefield/forcefield.cpp
@@ -31,9 +31,6 @@
 
 #include <cppoptlib/meta.h>
 #include <cppoptlib/problem.h>
-#include <cppoptlib/solver/bfgssolver.h>
-#include <cppoptlib/solver/conjugatedgradientdescentsolver.h>
-#include <cppoptlib/solver/gradientdescentsolver.h>
 #include <cppoptlib/solver/lbfgssolver.h>
 
 namespace Avogadro {
@@ -132,7 +129,11 @@ QList<QAction*> Forcefield::actions() const
 QStringList Forcefield::menuPath(QAction* action) const
 {
   QStringList path;
-  path << tr("&Extensions") << tr("&Calculate");
+  if (action->data().toInt() == optimizeAction)
+    path << tr("&Extensions");
+  else
+    path << tr("&Extensions") << tr("&Calculate");
+
   return path;
 }
 
@@ -229,7 +230,6 @@ void Forcefield::optimize()
   m_molecule->undoMolecule()->setInteractive(true);
 
   cppoptlib::LbfgsSolver<EnergyCalculator> solver;
-  // cppoptlib::ConjugatedGradientDescentSolver<EnergyCalculator> solver;
 
   int n = m_molecule->atomCount();
 

diff --git a/avogadro/qtplugins/forcefield/obmmenergy.cpp b/avogadro/qtplugins/forcefield/obmmenergy.cpp
@@ -17,52 +17,6 @@
 
 namespace Avogadro::QtPlugins {
 
-class OBMMEnergy::ProcessListener : public QObject
-{
-  Q_OBJECT
-public:
-  ProcessListener(QProcess* proc)
-    : QObject(), m_finished(false), m_process(proc)
-  {
-  }
-
-  bool waitForOutput(QByteArray output, int msTimeout = 2000)
-  {
-    connect(m_process, SIGNAL(readyRead()), SLOT(readyRead()));
-    if (!wait(msTimeout))
-      return false;
-
-    // success!
-    output = m_output;
-    disconnect(m_process, nullptr, nullptr, nullptr);
-    m_finished = false;
-    return true;
-  }
-
-public slots:
-  void readyRead()
-  {
-    m_finished = true;
-    m_output = m_process->readAllStandardOutput();
-  }
-
-private:
-  bool wait(int msTimeout)
-  {
-    QTimer timer;
-    timer.start(msTimeout);
-
-    while (timer.isActive() && !m_finished)
-      qApp->processEvents(QEventLoop::AllEvents, 500);
-
-    return m_finished;
-  }
-
-  QProcess* m_process;
-  bool m_finished;
-  QByteArray m_output;
-};
-
 OBMMEnergy::OBMMEnergy(const std::string& method)
   : m_identifier(method), m_name(method), m_process(nullptr),
     m_molecule(nullptr),
@@ -127,8 +81,7 @@ QByteArray OBMMEnergy::writeAndRead(const QByteArray& input)
   QByteArray result, line;
   m_process->write(input + "\n");
   QThread::msleep(1);
-  m_process->waitForReadyRead(50);
-  bool gotInvalid = false;
+  m_process->waitForReadyRead(5);
   while (m_process->canReadLine() && !line.startsWith("command >")) {
     line = m_process->readLine();
     result += line;
@@ -137,7 +90,7 @@ QByteArray OBMMEnergy::writeAndRead(const QByteArray& input)
   if (!result.contains("invalid command\n command >")) {
     m_process->write(" \n");
     QThread::msleep(1);
-    m_process->waitForReadyRead(50);
+    m_process->waitForReadyRead(5);
     while (m_process->canReadLine()) {
       line = m_process->readLine();
       result += line;
@@ -241,7 +194,7 @@ void OBMMEnergy::setMolecule(Core::Molecule* mol)
   }
 
   QByteArray input, line, result;
-  bool ready = m_process->waitForReadyRead();
+  m_process->waitForReadyRead();
   result.clear();
   while (!result.contains("command >")) {
     result += m_process->readLine();

diff --git a/avogadro/qtplugins/forcefield/obmmenergy.h b/avogadro/qtplugins/forcefield/obmmenergy.h
@@ -23,10 +23,6 @@ namespace Io {
 class FileFormat;
 }
 
-namespace QtGui {
-class PythonScript;
-}
-
 namespace QtPlugins {
 
 class OBMMEnergy : public Avogadro::Calc::EnergyCalculator
@@ -73,7 +69,6 @@ class OBMMEnergy : public Avogadro::Calc::EnergyCalculator
   /**
    * @brief Synchronous use of the QProcess.
    */
-  class ProcessListener;
   QByteArray writeAndRead(const QByteArray& input);
 
 private: