simplify, move redundant operations to functions, update coding style

tools/lammps-gui/.clang-format

@@ -12,7 +12,7 @@ BraceWrapping:
 BreakBeforeBraces: Custom
 BreakInheritanceList: AfterColon
 BreakConstructorInitializers: AfterColon
-ColumnLimit:     80
+ColumnLimit:     100
 IndentCaseLabels: true
 IndentWidth:     4
 ObjCBlockIndentWidth: 4

tools/lammps-gui/codeeditor.cpp

@@ -8,12 +8,9 @@ CodeEditor::CodeEditor(QWidget *parent) : QPlainTextEdit(parent)
 {
     lineNumberArea = new LineNumberArea(this);
 
-    connect(this, &CodeEditor::blockCountChanged, this,
+    connect(this, &CodeEditor::blockCountChanged, this, &CodeEditor::updateLineNumberAreaWidth);
-            &CodeEditor::updateLineNumberAreaWidth);
+    connect(this, &CodeEditor::updateRequest, this, &CodeEditor::updateLineNumberArea);
-    connect(this, &CodeEditor::updateRequest, this,
+    connect(this, &CodeEditor::cursorPositionChanged, this, &CodeEditor::highlightCurrentLine);
-            &CodeEditor::updateLineNumberArea);
-    connect(this, &CodeEditor::cursorPositionChanged, this,
-            &CodeEditor::highlightCurrentLine);
 
     updateLineNumberAreaWidth(0);
     highlightCurrentLine();
@@ -43,8 +40,7 @@ void CodeEditor::updateLineNumberArea(const QRect &rect, int dy)
     if (dy)
         lineNumberArea->scroll(0, dy);
     else
-        lineNumberArea->update(0, rect.y(), lineNumberArea->width(),
+        lineNumberArea->update(0, rect.y(), lineNumberArea->width(), rect.height());
-                               rect.height());
 
     if (rect.contains(viewport()->rect())) updateLineNumberAreaWidth(0);
 }
@@ -54,8 +50,7 @@ void CodeEditor::resizeEvent(QResizeEvent *e)
     QPlainTextEdit::resizeEvent(e);
 
     QRect cr = contentsRect();
-    lineNumberArea->setGeometry(
+    lineNumberArea->setGeometry(QRect(cr.left(), cr.top(), lineNumberAreaWidth(), cr.height()));
-        QRect(cr.left(), cr.top(), lineNumberAreaWidth(), cr.height()));
 }
 
 void CodeEditor::highlightCurrentLine()
@@ -83,15 +78,14 @@ void CodeEditor::lineNumberAreaPaintEvent(QPaintEvent *event)
     painter.fillRect(event->rect(), Qt::lightGray);
     QTextBlock block = firstVisibleBlock();
     int blockNumber  = block.blockNumber();
-    int top =
+    int top          = qRound(blockBoundingGeometry(block).translated(contentOffset()).top());
-        qRound(blockBoundingGeometry(block).translated(contentOffset()).top());
+    int bottom       = top + qRound(blockBoundingRect(block).height());
-    int bottom = top + qRound(blockBoundingRect(block).height());
     while (block.isValid() && top <= event->rect().bottom()) {
         if (block.isVisible() && bottom >= event->rect().top()) {
             QString number = QString::number(blockNumber + 1);
             painter.setPen(Qt::black);
-            painter.drawText(0, top, lineNumberArea->width(),
+            painter.drawText(0, top, lineNumberArea->width(), fontMetrics().height(),
-                             fontMetrics().height(), Qt::AlignRight, number);
+                             Qt::AlignRight, number);
         }
 
         block  = block.next();
@@ -100,3 +94,7 @@ void CodeEditor::lineNumberAreaPaintEvent(QPaintEvent *event)
         ++blockNumber;
     }
 }
+
+// Local Variables:
+// c-basic-offset: 4
+// End:

tools/lammps-gui/codeeditor.h

@@ -38,3 +38,6 @@ private:
 };
 
 #endif
+// Local Variables:
+// c-basic-offset: 4
+// End:

tools/lammps-gui/lammpsgui.cpp

@@ -2,6 +2,7 @@
 #include "ui_lammpsgui.h"
 
 #include <QFileDialog>
+#include <QFileInfo>
 #include <QFont>
 #include <QMessageBox>
 #include <QTextStream>
@@ -33,14 +34,8 @@ LammpsGui::LammpsGui(QWidget *parent, const char *filename) :
     connect(ui->actionUndo, &QAction::triggered, this, &LammpsGui::undo);
     connect(ui->actionRedo, &QAction::triggered, this, &LammpsGui::redo);
     connect(ui->actionClear, &QAction::triggered, this, &LammpsGui::clear);
-    connect(ui->actionRun_Buffer, &QAction::triggered, this,
+    connect(ui->actionRun_Buffer, &QAction::triggered, this, &LammpsGui::run_buffer);
-            &LammpsGui::run_buffer);
+    connect(ui->actionAbout_LAMMPS_GUI, &QAction::triggered, this, &LammpsGui::about);
-    connect(ui->actionExecute_Line, &QAction::triggered, this,
-            &LammpsGui::run_line);
-    connect(ui->actionAbout_LAMMPS_GUI, &QAction::triggered, this,
-            &LammpsGui::about);
-    connect(ui->actionLAMMPS_Info, &QAction::triggered, this,
-            &LammpsGui::about_lammps);
 
 #if !QT_CONFIG(clipboard)
     ui->actionCut->setEnabled(false);
@@ -74,13 +69,17 @@ void LammpsGui::open()
     open_file(fileName);
 }
 
+// open file and switch CWD to path of file
 void LammpsGui::open_file(const QString &fileName)
 {
+
     QFile file(fileName);
-    current_file = fileName;
+    QFileInfo path(file);
+    current_file = path.fileName();
+    current_dir  = path.absolutePath();
+    QDir::setCurrent(current_dir);
     if (!file.open(QIODevice::ReadOnly | QFile::Text)) {
-        QMessageBox::warning(this, "Warning",
+        QMessageBox::warning(this, "Warning", "Cannot open file: " + file.errorString());
-                             "Cannot open file: " + file.errorString());
         return;
     }
     setWindowTitle(QString("LAMMPS-GUI - " + fileName));
@@ -91,20 +90,13 @@ void LammpsGui::open_file(const QString &fileName)
     file.close();
 }
 
-void LammpsGui::save()
+void LammpsGui::write_file(const QString &fileName)
 {
-    QString fileName;
-    // If we don't have a filename from before, get one.
-    if (current_file.isEmpty()) {
-        fileName     = QFileDialog::getSaveFileName(this, "Save");
-        current_file = fileName;
-    } else {
-        fileName = current_file;
-    }
     QFile file(fileName);
+    QFileInfo path(file);
+    current_file = path.fileName();
     if (!file.open(QIODevice::WriteOnly | QFile::Text)) {
-        QMessageBox::warning(this, "Warning",
+        QMessageBox::warning(this, "Warning", "Cannot save file: " + file.errorString());
-                             "Cannot save file: " + file.errorString());
         return;
     }
     setWindowTitle(QString("LAMMPS-GUI - " + fileName));
@@ -114,22 +106,19 @@ void LammpsGui::save()
     file.close();
 }
 
+void LammpsGui::save()
+{
+    QString fileName = current_file;
+    // If we don't have a filename from before, get one.
+    if (fileName.isEmpty()) fileName = QFileDialog::getSaveFileName(this, "Save");
+
+    write_file(fileName);
+}
+
 void LammpsGui::save_as()
 {
     QString fileName = QFileDialog::getSaveFileName(this, "Save as");
-    QFile file(fileName);
+    write_file(fileName);
-
-    if (!file.open(QFile::WriteOnly | QFile::Text)) {
-        QMessageBox::warning(this, "Warning",
-                             "Cannot save file: " + file.errorString());
-        return;
-    }
-    current_file = fileName;
-    setWindowTitle(QString("LAMMPS-GUI - " + fileName));
-    QTextStream out(&file);
-    QString text = ui->textEdit->toPlainText();
-    out << text;
-    file.close();
 }
 
 void LammpsGui::quit()
@@ -176,30 +165,13 @@ void LammpsGui::redo()
 
 void LammpsGui::run_buffer()
 {
-    char *args[] = {(char *)"LAMMPS GUI", (char *)"-log", (char *)"none"};
+    start_lammps();
-    int nargs    = sizeof(args) / sizeof(char *);
-
-    clear();
-    if (!lammps_handle)
-        lammps_handle = lammps_open_no_mpi(nargs, args, nullptr);
     if (!lammps_handle) return;
+    clear();
     std::string buffer = ui->textEdit->toPlainText().toStdString();
     lammps_commands_string(lammps_handle, buffer.c_str());
 }
 
-void LammpsGui::run_line()
-{
-    char *args[] = {(char *)"LAMMPS GUI", (char *)"-log", (char *)"none"};
-    int nargs    = sizeof(args) / sizeof(char *);
-
-    if (!lammps_handle)
-        lammps_handle = lammps_open_no_mpi(nargs, args, nullptr);
-    if (!lammps_handle) return;
-
-    //    std::string buffer = ui->textEdit->toPlainText().toStdString();
-    //    lammps_commands_string(lammps_handle, buffer.c_str());
-}
-
 void LammpsGui::clear()
 {
     if (lammps_handle) {
@@ -208,21 +180,26 @@ void LammpsGui::clear()
     ui->textEdit->moveCursor(QTextCursor::Start, QTextCursor::MoveAnchor);
 }
 
-void LammpsGui::about_lammps()
+void LammpsGui::about()
+{
+    start_lammps();
+
+    std::string version = "This is LAMMPS-GUI version 0.1\n";
+    if (lammps_handle) version += "LAMMPS Version " + std::to_string(lammps_version(lammps_handle));
+    QMessageBox::information(this, "About LAMMPS-GUI", version.c_str());
+}
+
+void LammpsGui::start_lammps()
 {
     char *args[] = {(char *)"LAMMPS GUI", (char *)"-log", (char *)"none"};
     int nargs    = sizeof(args) / sizeof(char *);
 
+    // Create LAMMPS instance if not already present
+    if (!lammps_handle) lammps_handle = lammps_open_no_mpi(nargs, args, nullptr);
     if (!lammps_handle)
-        lammps_handle = lammps_open_no_mpi(nargs, args, nullptr);
+        QMessageBox::warning(this, "LAMMPS Error", "Internal error launching LAMMPS");
-
-    std::string version = "LAMMPS Version " + std::to_string(lammps_version(lammps_handle));
-    QString lammps_info(version.c_str());
-    QMessageBox::information(this, "About LAMMPS", lammps_info);
 }
 
-void LammpsGui::about()
+// Local Variables:
-{
+// c-basic-offset: 4
-    QMessageBox::information(this, "About LAMMPS-GUI",
+// End:
-                             "This is LAMMPS-GUI version 0.1");
-}

tools/lammps-gui/lammpsgui.h

@@ -32,6 +32,8 @@ public:
 
 protected:
     void open_file(const QString &filename);
+    void write_file(const QString &filename);
+    void start_lammps();
 
 private slots:
     void new_document();
@@ -46,15 +48,17 @@ private slots:
     void redo();
     void clear();
     void run_buffer();
-    void run_line();
     void about();
-    void about_lammps();
 
 private:
     Ui::LammpsGui *ui;
 
     QString current_file;
+    QString current_dir;
     void *lammps_handle;
 };
 
 #endif // LAMMPSGUI_H
+// Local Variables:
+// c-basic-offset: 4
+// End:

tools/lammps-gui/lammpsgui.ui

@@ -68,19 +68,11 @@
     </property>
     <addaction name="actionClear"/>
     <addaction name="actionRun_Buffer"/>
-    <addaction name="actionExecute_Line"/>
-   </widget>
-   <widget class="QMenu" name="menuAbout">
-    <property name="title">
-     <string>About</string>
-    </property>
-    <addaction name="actionAbout_LAMMPS_GUI"/>
-    <addaction name="actionLAMMPS_Info"/>
    </widget>
    <addaction name="menuFile"/>
    <addaction name="menuEdit"/>
    <addaction name="menuRun"/>
-   <addaction name="menuAbout"/>
+   <addaction name="actionAbout_LAMMPS_GUI"/>
   </widget>
   <widget class="QStatusBar" name="statusbar"/>
   <action name="actionNew">
@@ -143,19 +135,9 @@
     <string>Execute Buffer</string>
    </property>
   </action>
-  <action name="actionExecute_Line">
-   <property name="text">
-    <string>Execute Line</string>
-   </property>
-  </action>
   <action name="actionAbout_LAMMPS_GUI">
    <property name="text">
-    <string>About LAMMPS-GUI</string>
+    <string>About</string>
-   </property>
-  </action>
-  <action name="actionLAMMPS_Info">
-   <property name="text">
-    <string>LAMMPS Info</string>
    </property>
   </action>
  </widget>

tools/lammps-gui/linenumberarea.cpp

@@ -1,58 +0,0 @@
-#include "codeeditor.h"
-
-int CodeEditor::lineNumberAreaWidth()
-{
-    int digits = 1;
-    int max = qMax(1, blockCount());
-    while (max >= 10) {
-        max /= 10;
-        ++digits;
-    }
-
-    int space = 3 + fontMetrics().horizontalAdvance(QLatin1Char('9')) * digits;
-
-    return space;
-}
-
-void CodeEditor::updateLineNumberAreaWidth(int /* newBlockCount */)
-{
-    setViewportMargins(lineNumberAreaWidth(), 0, 0, 0);
-}
-
-void CodeEditor::updateLineNumberArea(const QRect &rect, int dy)
-{
-    if (dy)
-        lineNumberArea->scroll(0, dy);
-    else
-        lineNumberArea->update(0, rect.y(), lineNumberArea->width(), rect.height());
-
-    if (rect.contains(viewport()->rect()))
-        updateLineNumberAreaWidth(0);
-}
-
-void CodeEditor::resizeEvent(QResizeEvent *e)
-{
-    QTextEdit::resizeEvent(e);
-
-    QRect cr = contentsRect();
-    lineNumberArea->setGeometry(QRect(cr.left(), cr.top(), lineNumberAreaWidth(), cr.height()));
-}
-
-void CodeEditor::highlightCurrentLine()
-{
-    QList<QTextEdit::ExtraSelection> extraSelections;
-
-    if (!isReadOnly()) {
-        QTextEdit::ExtraSelection selection;
-
-        QColor lineColor = QColor(Qt::yellow).lighter(160);
-
-        selection.format.setBackground(lineColor);
-        selection.format.setProperty(QTextFormat::FullWidthSelection, true);
-        selection.cursor = textCursor();
-        selection.cursor.clearSelection();
-        extraSelections.append(selection);
-    }
-
-    setExtraSelections(extraSelections);
-}

tools/lammps-gui/linenumberarea.h

@@ -36,3 +36,6 @@ private:
     CodeEditor *codeEditor;
 };
 #endif
+// Local Variables:
+// c-basic-offset: 4
+// End:

tools/lammps-gui/main.cpp

@@ -13,3 +13,7 @@ int main(int argc, char *argv[])
     w.show();
     return a.exec();
 }
+
+// Local Variables:
+// c-basic-offset: 4
+// End: