Edited files

2025-07-10 04:15:53 +00:00 · 2013-08-08 01:41:57 +04:00
parent 3e5dc1ab07
commit ea28d7e693
18 changed files with 335 additions and 2903 deletions
--- a/mathmech/start_events.cpp
+++ b/mathmech/start_events.cpp
@ -8,7 +8,6 @@
 #include "ui_errorwindow.h"

 #include <stdio.h>
-#include <unistd.h>

 Start_events::Start_events(MainWindow *wid) :
  parent(wid)
@ -19,8 +18,8 @@ Start_events::Start_events(MainWindow *wid) :
 void Start_events::start_trj(QString mm_trj_path)
 {
  errorwin = new ErrorWindow(parent);
-  parent->ui->statusBar->showMessage(QApplication::translate("MainWindow", "Processing 'trj'..."));
-  parent->ui->statusBar->showMessage(QApplication::translate("MainWindow", "Processing 'trj'..."));
+  parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'trj'..."));
+  parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'trj'..."));

 // read variables
  QString workDir = parent->ui->trj_lineEdit_workDir->text();
@ -46,49 +45,37 @@ void Start_events::start_trj(QString mm_trj_path)
 // error check
  if ((workDir == "") || (!QDir(workDir).exists()))
  {
-    errorwin->set_message(parent->language, 0);
+    errorwin->set_message(0);
    errorwin->show();
    return;
  }
  if ((input == "") || (!QFile(input).exists()))
  {
-    errorwin->set_message(parent->language, 1);
-    errorwin->show();
-    return;
-  }
-  if (steps == "")
-  {
-    errorwin->set_message(parent->language, 2);
+    errorwin->set_message(1);
    errorwin->show();
    return;
  }
  if ((atomType == "") || (!QFile(atomType).exists()))
  {
-    errorwin->set_message(parent->language, 3);
+    errorwin->set_message(3);
    errorwin->show();
    return;
  }
  if (mask == "")
  {
-    errorwin->set_message(parent->language, 4);
-    errorwin->show();
-    return;
-  }
-  if (totalTypes == "")
-  {
-    errorwin->set_message(parent->language, 5);
+    errorwin->set_message(4);
    errorwin->show();
    return;
  }
  if ((parent->ui->trj_checkBox_log->checkState() == 2) && (log == ""))
  {
-    errorwin->set_message(parent->language, 6);
+    errorwin->set_message(6);
    errorwin->show();
    return;
  }
  if (!QFile(mm_trj_path).exists())
  {
-    errorwin->set_message(parent->language, 7);
+    errorwin->set_message(7);
    errorwin->show();
    return;
  }
@ -136,15 +123,15 @@ void Start_events::start_trj(QString mm_trj_path)

  system(command.toStdString().c_str());
  parent->ui->tabWidget->setEnabled(true);
-  parent->ui->statusBar->showMessage(QApplication::translate("MainWindow", "Done"));
+  parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Done"));
  delete errorwin;
 }

 void Start_events::start_statgen(QString mm_statgen_path)
 {
  errorwin = new ErrorWindow(parent);
-  parent->ui->statusBar->showMessage(QApplication::translate("MainWindow", "Processing 'statgen'..."));
-  parent->ui->statusBar->showMessage(QApplication::translate("MainWindow", "Processing 'statgen'..."));
+  parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'statgen'..."));
+  parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'statgen'..."));

 // read variables
  QString workDir = parent->ui->statgen_lineEdit_workDir->text();
@ -177,64 +164,37 @@ void Start_events::start_statgen(QString mm_statgen_path)
 // error check
  if ((workDir == "") || (!QDir(workDir).exists()))
  {
-    errorwin->set_message(parent->language, 0);
+    errorwin->set_message(0);
    errorwin->show();
    return;
  }
  if (mask == "")
  {
-    errorwin->set_message(parent->language, 1);
-    errorwin->show();
-    return;
-  }
-  if ((firstStep == "") || (lastStep == ""))
-  {
-    errorwin->set_message(parent->language, 2);
-    errorwin->show();
-    return;
-  }
-  if ((cellX == "") || (cellY == "") || (cellZ == ""))
-  {
-    errorwin->set_message(parent->language, 8);
-    errorwin->show();
-    return;
-  }
-  if ((atom0 == "") ||
-    ((atom1 == "") && (parent->ui->statgen_checkBox_atoms1->checkState() == 2)) ||
-    ((atom2 == "") && (parent->ui->statgen_checkBox_atoms2->checkState() == 2)) ||
-    ((atom3 == "") && (parent->ui->statgen_checkBox_atoms3->checkState() == 2)))
-  {
-    errorwin->set_message(parent->language, 9);
+    errorwin->set_message(1);
    errorwin->show();
    return;
  }
  if (parent->ui->statgen_listWidget_int->count() == 0)
  {
-    errorwin->set_message(parent->language, 10);
+    errorwin->set_message(10);
    errorwin->show();
    return;
  }
  if (output == "")
  {
-    errorwin->set_message(parent->language, 4);
-    errorwin->show();
-    return;
-  }
-  if ((parent->ui->statgen_checkBox_depth->checkState() == 2) && (depth == ""))
-  {
-    errorwin->set_message(parent->language, 11);
+    errorwin->set_message(4);
    errorwin->show();
    return;
  }
  if ((parent->ui->statgen_checkBox_log->checkState() == 2) && (log == ""))
  {
-    errorwin->set_message(parent->language, 6);
+    errorwin->set_message(6);
    errorwin->show();
    return;
  }
  if (!QFile(mm_statgen_path).exists())
  {
-    errorwin->set_message(parent->language, 7);
+    errorwin->set_message(7);
    errorwin->show();
    return;
  }
@ -289,8 +249,244 @@ void Start_events::start_statgen(QString mm_statgen_path)
  command.append(" -q");

  system(command.toStdString().c_str());
-//  execv(command.toStdString().c_str(), NULL);
  parent->ui->tabWidget->setEnabled(true);
-  parent->ui->statusBar->showMessage(QApplication::translate("MainWindow", "Done"));
+  parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Done"));
+  delete errorwin;
+}
+
+void Start_events::stat_envir(QString mm_envir_path)
+{
+  errorwin = new ErrorWindow(parent);
+  parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'envir'..."));
+  parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'envir'..."));
+
+// read variables
+  QString workDir = parent->ui->envir_lineEdit_workDir->text();
+  QString input = parent->ui->envir_lineEdit_input->text();
+  QString cellX, cellY, cellZ;
+  cellX.setNum(parent->ui->envir_doubleSpinBox_cellX->value(), 'f', 4);
+  cellY.setNum(parent->ui->envir_doubleSpinBox_cellY->value(), 'f', 4);
+  cellZ.setNum(parent->ui->envir_doubleSpinBox_cellZ->value(), 'f', 4);
+  QString output = parent->ui->envir_lineEdit_output->text();
+  QString molecule = QString::number(parent->ui->envir_spinBox_molecule->value());
+  QString radius;
+  radius.setNum(parent->ui->envir_doubleSpinBox_radius->value(), 'f', 4);
+  QString log;
+  if (parent->ui->envir_checkBox_log->checkState() == 2)
+    log = parent->ui->envir_lineEdit_log->text();
+
+// error check
+  if ((workDir == "") || (!QDir(workDir).exists()))
+  {
+    errorwin->set_message(0);
+    errorwin->show();
+    return;
+  }
+  if (input == "")
+  {
+    errorwin->set_message(1);
+    errorwin->show();
+    return;
+  }
+  if (output == "")
+  {
+    errorwin->set_message(4);
+    errorwin->show();
+    return;
+  }
+  if ((parent->ui->envir_checkBox_log->checkState() == 2) && (log == ""))
+  {
+    errorwin->set_message(6);
+    errorwin->show();
+    return;
+  }
+  if (!QFile(mm_envir_path).exists())
+  {
+    errorwin->set_message(7);
+    errorwin->show();
+    return;
+  }
+
+  parent->ui->tabWidget->setDisabled(true);
+  QString command;
+  command.append(mm_envir_path);
+#ifdef _WIN32
+  if (input.contains("\\"))
+#elif __linux
+  if (input.contains("/"))
+#else
+  return;
+#endif
+    command.append(" -i " + QFileInfo(input).absoluteFilePath());
+  else
+    command.append(" -i " + QFileInfo(QDir(workDir), input).absoluteFilePath());
+  command.append(" -c " + cellX + "," + cellY + "," + cellZ);
+#ifdef _WIN32
+  if (output.contains("\\"))
+#elif __linux
+  if (output.contains("/"))
+#else
+  return;
+#endif
+    command.append(" -o " + QFileInfo(output).absoluteFilePath());
+  else
+    command.append(" -o " + QFileInfo(QDir(workDir), output).absoluteFilePath());
+  command.append(" -n " + molecule);
+  command.append(" -r " + radius);
+  if (parent->ui->statgen_checkBox_log->checkState() == 2)
+#ifdef _WIN32
+    if (log.contains("\\"))
+#elif __linux
+    if (log.contains("/"))
+#else
+  return;
+#endif
+      command.append(" -l " + QFileInfo(log).absoluteFilePath());
+    else
+      command.append(" -l " + QFileInfo(QDir(workDir), log).absoluteFilePath());
+  command.append(" -q");
+
+  system(command.toStdString().c_str());
+  parent->ui->tabWidget->setEnabled(true);
+  parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Done"));
+  delete errorwin;
+}
+
+void Start_events::stat_radf(QString mm_radf_path)
+{
+  errorwin = new ErrorWindow(parent);
+  parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'radf'..."));
+  parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'radf'..."));
+
+// read variables
+  QString workDir = parent->ui->radf_lineEdit_workDir->text();
+  QString mask = parent->ui->radf_lineEdit_input->text();
+  QString firstStep = QString::number(parent->ui->radf_spinBox_stepsFirst->value());
+  QString lastStep = QString::number(parent->ui->radf_spinBox_stepsLast->value());
+  QString cellX, cellY, cellZ;
+  cellX.setNum(parent->ui->radf_doubleSpinBox_cellX->value(), 'f', 4);
+  cellY.setNum(parent->ui->radf_doubleSpinBox_cellY->value(), 'f', 4);
+  cellZ.setNum(parent->ui->radf_doubleSpinBox_cellZ->value(), 'f', 4);
+  QString output = parent->ui->radf_lineEdit_output->text();
+  QString atom0 = QString::number(parent->ui->radf_spinBox_atoms0->value());
+  QString atom3 = QString::number(parent->ui->radf_spinBox_atoms3->value());
+  QString atom1, atom2, atom4, atom5;
+  if (parent->ui->radf_comboBox_atom->currentIndex() == 1)
+  {
+    atom1 = QString::number(parent->ui->radf_spinBox_atoms1->value());
+    atom2 = QString::number(parent->ui->radf_spinBox_atoms1->value());
+    atom4 = QString::number(parent->ui->radf_spinBox_atoms1->value());
+    atom5 = QString::number(parent->ui->radf_spinBox_atoms1->value());
+  }
+  QString radMin, radMax, radStep, angMin, angMax, angStep;
+  radMin.setNum(parent->ui->radf_doubleSpinBox_radMin->value(), 'f', 3);
+  radMax.setNum(parent->ui->radf_doubleSpinBox_radMax->value(), 'f', 3);
+  radStep.setNum(parent->ui->radf_doubleSpinBox_radStep->value(), 'f', 3);
+  if (parent->ui->radf_checkBox_ang->checkState() == 2)
+  {
+    angMin.setNum(parent->ui->radf_doubleSpinBox_angMin->value(), 'f', 2);
+    angMax.setNum(parent->ui->radf_doubleSpinBox_angMax->value(), 'f', 2);
+    angStep.setNum(parent->ui->radf_doubleSpinBox_angStep->value(), 'f', 2);
+  }
+  QString log;
+  if (parent->ui->radf_checkBox_log->checkState() == 2)
+    log = parent->ui->radf_lineEdit_log->text();
+
+// error check
+  if ((workDir == "") || (!QDir(workDir).exists()))
+  {
+    errorwin->set_message(0);
+    errorwin->show();
+    return;
+  }
+  if (mask == "")
+  {
+    errorwin->set_message(1);
+    errorwin->show();
+    return;
+  }
+  if (output == "")
+  {
+    errorwin->set_message(4);
+    errorwin->show();
+    return;
+  }
+  if (parent->ui->radf_comboBox_atom->currentIndex() == 1)
+    if ((atom0 == atom1) || (atom0 == atom2) || (atom1 == atom2) ||
+        (atom3 == atom4) || (atom3 == atom5) || (atom4 == atom5))
+    {
+      errorwin->set_message(2);
+      errorwin->show();
+      return;
+    }
+  if ((parent->ui->radf_checkBox_log->checkState() == 2) && (log == ""))
+  {
+    errorwin->set_message(6);
+    errorwin->show();
+    return;
+  }
+  if (!QFile(mm_radf_path).exists())
+  {
+    errorwin->set_message(7);
+    errorwin->show();
+    return;
+  }
+
+// exec
+  parent->ui->tabWidget->setDisabled(true);
+  QString command;
+  command.append(mm_radf_path);
+#ifdef _WIN32
+  if (mask.contains("\\"))
+#elif __linux
+  if (mask.contains("/"))
+#else
+  return;
+#endif
+    command.append(" -i " + QFileInfo(mask).absoluteFilePath());
+  else
+    command.append(" -i " + QFileInfo(QDir(workDir), mask).absoluteFilePath());
+  command.append(" -s " + firstStep + "," + lastStep);
+  command.append(" -c " + cellX + "," + cellY + "," + cellZ);
+  if (parent->ui->radf_comboBox_atom->currentIndex() == 0)
+    command.append(" -at " + atom0 + "-" + atom3);
+  else if (parent->ui->radf_comboBox_atom->currentIndex() == 1)
+    command.append(" -at " + atom0 + "," + atom1 + "," + atom2 +
+                   "-" + atom3 + "," + atom4 + "," + atom5);
+#ifdef _WIN32
+  if (output.contains("\\"))
+#elif __linux
+  if (output.contains("/"))
+#else
+  return;
+#endif
+    command.append(" -o " + QFileInfo(output).absoluteFilePath());
+  else
+    command.append(" -o " + QFileInfo(QDir(workDir), output).absoluteFilePath());
+  command.append(" -r " + radMin + "," + radMax);
+  command.append(" -rs " + radStep);
+  if (parent->ui->radf_checkBox_ang->checkState() == 2)
+  {
+    command.append(" -a " + angMin + "," + angMax);
+    command.append(" -as " + angStep);
+  }
+  if (parent->ui->radf_checkBox_matrix->checkState() == 2)
+    command.append(" -m ");
+#ifdef _WIN32
+  if (log.contains("\\"))
+#elif __linux
+  if (log.contains("/"))
+#else
+  return;
+#endif
+    command.append(" -l " + QFileInfo(log).absoluteFilePath());
+  else
+    command.append(" -l " + QFileInfo(QDir(workDir), log).absoluteFilePath());
+  command.append(" -q");
+
+//  system(command.toStdString().c_str());
+  printf("%s\n", command.toStdString().c_str());
+  parent->ui->tabWidget->setEnabled(true);
+  parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Done"));
  delete errorwin;
 }