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Edited start_events

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This commit is contained in:
arcan1s
2013-08-08 02:10:38 +04:00
parent ea28d7e693
commit 8a37a3cbab
7 changed files with 145 additions and 12 deletions
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131
mathmech/start_events.cpp
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@ -254,7 +254,7 @@ void Start_events::start_statgen(QString mm_statgen_path)
delete errorwin;
}
void Start_events::stat_envir(QString mm_envir_path)
void Start_events::start_envir(QString mm_envir_path)
{
errorwin = new ErrorWindow(parent);
parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'envir'..."));
@ -352,7 +352,7 @@ void Start_events::stat_envir(QString mm_envir_path)
delete errorwin;
}
void Start_events::stat_radf(QString mm_radf_path)
void Start_events::start_radf(QString mm_radf_path)
{
errorwin = new ErrorWindow(parent);
parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'radf'..."));
@ -484,8 +484,131 @@ void Start_events::stat_radf(QString mm_radf_path)
command.append(" -l " + QFileInfo(QDir(workDir), log).absoluteFilePath());
command.append(" -q");
// system(command.toStdString().c_str());
printf("%s\n", command.toStdString().c_str());
system(command.toStdString().c_str());
parent->ui->tabWidget->setEnabled(true);
parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Done"));
delete errorwin;
}
void Start_events::start_pdb(QString mm_pdb_path)
{
errorwin = new ErrorWindow(parent);
if (parent->ui->pdb_comboBox_mode->currentIndex() == 0)
{
parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'agl'..."));
parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'agl'..."));
}
else if (parent->ui->pdb_comboBox_mode->currentIndex() == 1)
{
parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'trj2pdb'..."));
parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'trj2pdb'..."));
}
// read variables
QString workDir = parent->ui->pdb_lineEdit_workDir->text();
QString input = parent->ui->pdb_lineEdit_input->text();
QString agl, cellX, cellY, cellZ;
if (parent->ui->pdb_comboBox_mode->currentIndex() == 0)
{
agl = parent->ui->pdb_lineEdit_agl->text();
cellX.setNum(parent->ui->pdb_doubleSpinBox_cellX->value(), 'f', 4);
cellY.setNum(parent->ui->pdb_doubleSpinBox_cellY->value(), 'f', 4);
cellZ.setNum(parent->ui->pdb_doubleSpinBox_cellZ->value(), 'f', 4);
}
QString output = parent->ui->pdb_lineEdit_output->text();
QString log;
if (parent->ui->pdb_checkBox_log->checkState() == 2)
log = parent->ui->pdb_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 ((parent->ui->pdb_comboBox_mode->currentIndex() == 0) && (agl == ""))
{
errorwin->set_message(1);
errorwin->show();
return;
}
if (output == "")
{
errorwin->set_message(4);
errorwin->show();
return;
}
if ((parent->ui->pdb_checkBox_log->checkState() == 2) && (log == ""))
{
errorwin->set_message(6);
errorwin->show();
return;
}
if (!QFile(mm_pdb_path).exists())
{
errorwin->set_message(7);
errorwin->show();
return;
}
// exec
parent->ui->tabWidget->setDisabled(true);
QString command;
command.append(mm_pdb_path);
if (parent->ui->pdb_comboBox_mode->currentIndex() == 0)
#ifdef _WIN32
if (agl.contains("\\"))
#elif __linux
if (agl.contains("/"))
#else
return;
#endif
command.append(" -a " + QFileInfo(agl).absoluteFilePath());
else
command.append(" -a " + QFileInfo(QDir(workDir), agl).absoluteFilePath());
#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());
if (parent->ui->pdb_comboBox_mode->currentIndex() == 0)
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());
#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;