From ea28d7e6931e97c3783b3275161eacd50e498634 Mon Sep 17 00:00:00 2001 From: arcan1s Date: Thu, 8 Aug 2013 01:41:57 +0400 Subject: [PATCH] Edited files --- mathmech/bin/mm_radf | Bin 31289 -> 31289 bytes mathmech/clear_items.h | 2 + mathmech/errorwindow.cpp | 85 +- mathmech/errorwindow.h | 2 +- mathmech/mainwindow.cpp | 31 +- mathmech/mainwindow.h | 4 +- mathmech/mainwindow.ui | 2 +- mathmech/mathmech | Bin 187588 -> 208414 bytes mathmech/mathmech.pro.user | 4 +- mathmech/moc_clear_items.cpp | 80 -- mathmech/moc_errorwindow.cpp | 80 -- mathmech/moc_mainwindow.cpp | 215 ---- mathmech/moc_start_events.cpp | 80 -- mathmech/start_events.cpp | 314 ++++- mathmech/start_events.h | 2 + mathmech/ui_errorwindow.h | 112 -- mathmech/ui_mainwindow.h | 2223 --------------------------------- mm_radf/src/add_main.c | 2 +- 18 files changed, 335 insertions(+), 2903 deletions(-) delete mode 100644 mathmech/moc_clear_items.cpp delete mode 100644 mathmech/moc_errorwindow.cpp delete mode 100644 mathmech/moc_mainwindow.cpp delete mode 100644 mathmech/moc_start_events.cpp delete mode 100644 mathmech/ui_errorwindow.h delete mode 100644 mathmech/ui_mainwindow.h diff --git a/mathmech/bin/mm_radf b/mathmech/bin/mm_radf index 139dd15f2712641109729063570e4d183927bcb3..91dfddc2a091676fed69a4959dc61063506fb836 100755 GIT binary patch delta 65 zcmdn_g>mN>#tlA9A|Y`<(>>?jV|AX^r+4i6`d=H}G|z8NU}|HVERmN>#tlA9B0Qm1EjAUinghdT&u5go7|=X9Y2oGsrZzSs{fzwFRQ<%Flabel->setText(message); diff --git a/mathmech/errorwindow.h b/mathmech/errorwindow.h index 0c7e6f8..bb49f30 100644 --- a/mathmech/errorwindow.h +++ b/mathmech/errorwindow.h @@ -14,7 +14,7 @@ class ErrorWindow : public QMainWindow public: explicit ErrorWindow(QWidget *parent = 0); ~ErrorWindow(); - void set_message(QString language, int mess); + void set_message(int mess); private: Ui::ErrorWindow *ui; diff --git a/mathmech/mainwindow.cpp b/mathmech/mainwindow.cpp index 5a9e570..371fbad 100644 --- a/mathmech/mainwindow.cpp +++ b/mathmech/mainwindow.cpp @@ -18,13 +18,13 @@ MainWindow::MainWindow(QWidget *parent) : ui->statusBar->showMessage(QString("Ready")); // TODO: read config - language = QString("eng"); - mm_agl_path = QString("/home/arcanis/mathmech/bin/mm_agl"); - mm_envir_path = QString("/home/arcanis/mathmech/bin/mm_envir"); - mm_radf_path = QString("/home/arcanis/mathmech/bin/mm_radf"); - mm_statgen_path = QString("/home/arcanis/mathmech/bin/mm_statgen"); - mm_trj_path = QString("/home/arcanis/mathmech/bin/mm_trj"); - mm_trj2pdb_path = QString("/home/arcanis/mathmech/bin/mm_trj2pdb"); +// language = QString("eng"); + mm_agl_path = QString("/home/arcanis/Documents/github/moldyn/mathmech/bin/mm_agl"); + mm_envir_path = QString("/home/arcanis/Documents/github/moldyn/mathmech/bin/mm_envir"); + mm_radf_path = QString("/home/arcanis/Documents/github/moldyn/mathmech/bin/mm_radf"); + mm_statgen_path = QString("/home/arcanis/Documents/github/moldyn/mathmech/bin/mm_statgen"); + mm_trj_path = QString("/home/arcanis/Documents/github/moldyn/mathmech/bin/mm_trj"); + mm_trj2pdb_path = QString("/home/arcanis/Documents/github/moldyn/bin/mm_trj2pdb"); } MainWindow::~MainWindow() @@ -513,6 +513,13 @@ void MainWindow::on_stagen_pushButton_intSave_clicked() statgen_crit[index] = ui->statgen_doubleSpinBox_int->value(); } +void MainWindow::on_statgen_doubleSpinBox_int_editingFinished() +{ + int index; + index = ui->statgen_comboBox_int->currentIndex(); + statgen_crit[index] = ui->statgen_doubleSpinBox_int->value(); +} + void MainWindow::on_statgen_pushButton_intAdd_clicked() { QString interaction; @@ -550,3 +557,13 @@ void MainWindow::on_statgen_pushButton_start_clicked() { start_events->start_statgen(mm_statgen_path); } + +void MainWindow::on_envir_pushButton_start_clicked() +{ + start_events->stat_envir(mm_envir_path); +} + +void MainWindow::on_radf_pushButton_start_clicked() +{ + start_events->stat_radf(mm_radf_path); +} diff --git a/mathmech/mainwindow.h b/mathmech/mainwindow.h index c8034c4..8881f00 100644 --- a/mathmech/mainwindow.h +++ b/mathmech/mainwindow.h @@ -17,7 +17,6 @@ class MainWindow : public QMainWindow public: explicit MainWindow(QWidget *parent = 0); ~MainWindow(); - QString language; private slots: // enable/disable signals @@ -62,11 +61,14 @@ private slots: // interaction (statgen) void on_statgen_comboBox_int_currentIndexChanged(int index); void on_stagen_pushButton_intSave_clicked(); + void on_statgen_doubleSpinBox_int_editingFinished(); void on_statgen_pushButton_intAdd_clicked(); void on_stagen_pushButton_intRem_clicked(); // start events void on_trj_pushButton_start_clicked(); void on_statgen_pushButton_start_clicked(); + void on_envir_pushButton_start_clicked(); + void on_radf_pushButton_start_clicked(); private: Ui::MainWindow *ui; diff --git a/mathmech/mainwindow.ui b/mathmech/mainwindow.ui index ec3aa4f..bc01a4c 100644 --- a/mathmech/mainwindow.ui +++ b/mathmech/mainwindow.ui @@ -18,7 +18,7 @@ - 0 + 3 diff --git a/mathmech/mathmech 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All changes made in this file will be lost! -*****************************************************************************/ - -#include "clear_items.h" -#if !defined(Q_MOC_OUTPUT_REVISION) -#error "The header file 'clear_items.h' doesn't include ." -#elif Q_MOC_OUTPUT_REVISION != 63 -#error "This file was generated using the moc from 4.8.5. It" -#error "cannot be used with the include files from this version of Qt." -#error "(The moc has changed too much.)" -#endif - -QT_BEGIN_MOC_NAMESPACE -static const uint qt_meta_data_Clear_items[] = { - - // content: - 6, // revision - 0, // classname - 0, 0, // classinfo - 0, 0, // methods - 0, 0, // properties - 0, 0, // enums/sets - 0, 0, // constructors - 0, // flags - 0, // signalCount - - 0 // eod -}; - -static const char qt_meta_stringdata_Clear_items[] = { - "Clear_items\0" -}; - -void Clear_items::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a) -{ - Q_UNUSED(_o); - Q_UNUSED(_id); - Q_UNUSED(_c); - Q_UNUSED(_a); -} - -const QMetaObjectExtraData Clear_items::staticMetaObjectExtraData = { - 0, qt_static_metacall -}; - -const QMetaObject Clear_items::staticMetaObject = { - { &QWidget::staticMetaObject, qt_meta_stringdata_Clear_items, - qt_meta_data_Clear_items, &staticMetaObjectExtraData } -}; - -#ifdef Q_NO_DATA_RELOCATION -const QMetaObject &Clear_items::getStaticMetaObject() { return staticMetaObject; } -#endif //Q_NO_DATA_RELOCATION - -const QMetaObject *Clear_items::metaObject() const -{ - return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject; -} - -void *Clear_items::qt_metacast(const char *_clname) -{ - if (!_clname) return 0; - if (!strcmp(_clname, qt_meta_stringdata_Clear_items)) - return static_cast(const_cast< Clear_items*>(this)); - return QWidget::qt_metacast(_clname); -} - -int Clear_items::qt_metacall(QMetaObject::Call _c, int _id, void **_a) -{ - _id = QWidget::qt_metacall(_c, _id, _a); - if (_id < 0) - return _id; - return _id; -} -QT_END_MOC_NAMESPACE diff --git a/mathmech/moc_errorwindow.cpp b/mathmech/moc_errorwindow.cpp deleted file mode 100644 index aa21ed5..0000000 --- a/mathmech/moc_errorwindow.cpp +++ /dev/null @@ -1,80 +0,0 @@ -/**************************************************************************** -** Meta object code from reading C++ file 'errorwindow.h' -** -** Created by: The Qt Meta Object Compiler version 63 (Qt 4.8.5) -** -** WARNING! All changes made in this file will be lost! -*****************************************************************************/ - -#include "errorwindow.h" -#if !defined(Q_MOC_OUTPUT_REVISION) -#error "The header file 'errorwindow.h' doesn't include ." -#elif Q_MOC_OUTPUT_REVISION != 63 -#error "This file was generated using the moc from 4.8.5. It" -#error "cannot be used with the include files from this version of Qt." -#error "(The moc has changed too much.)" -#endif - -QT_BEGIN_MOC_NAMESPACE -static const uint qt_meta_data_ErrorWindow[] = { - - // content: - 6, // revision - 0, // classname - 0, 0, // classinfo - 0, 0, // methods - 0, 0, // properties - 0, 0, // enums/sets - 0, 0, // constructors - 0, // flags - 0, // signalCount - - 0 // eod -}; - -static const char qt_meta_stringdata_ErrorWindow[] = { - "ErrorWindow\0" -}; - -void ErrorWindow::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a) -{ - Q_UNUSED(_o); - Q_UNUSED(_id); - Q_UNUSED(_c); - Q_UNUSED(_a); -} - -const QMetaObjectExtraData ErrorWindow::staticMetaObjectExtraData = { - 0, qt_static_metacall -}; - -const QMetaObject ErrorWindow::staticMetaObject = { - { &QMainWindow::staticMetaObject, qt_meta_stringdata_ErrorWindow, - qt_meta_data_ErrorWindow, &staticMetaObjectExtraData } -}; - -#ifdef Q_NO_DATA_RELOCATION -const QMetaObject &ErrorWindow::getStaticMetaObject() { return staticMetaObject; } -#endif //Q_NO_DATA_RELOCATION - -const QMetaObject *ErrorWindow::metaObject() const -{ - return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject; -} - -void *ErrorWindow::qt_metacast(const char *_clname) -{ - if (!_clname) return 0; - if (!strcmp(_clname, qt_meta_stringdata_ErrorWindow)) - return static_cast(const_cast< ErrorWindow*>(this)); - return QMainWindow::qt_metacast(_clname); -} - -int ErrorWindow::qt_metacall(QMetaObject::Call _c, int _id, void **_a) -{ - _id = QMainWindow::qt_metacall(_c, _id, _a); - if (_id < 0) - return _id; - return _id; -} -QT_END_MOC_NAMESPACE diff --git a/mathmech/moc_mainwindow.cpp b/mathmech/moc_mainwindow.cpp deleted file mode 100644 index 93fa8e6..0000000 --- a/mathmech/moc_mainwindow.cpp +++ /dev/null @@ -1,215 +0,0 @@ -/**************************************************************************** -** Meta object code from reading C++ file 'mainwindow.h' -** -** Created by: The Qt Meta Object Compiler version 63 (Qt 4.8.5) -** -** WARNING! All changes made in this file will be lost! -*****************************************************************************/ - -#include "mainwindow.h" -#if !defined(Q_MOC_OUTPUT_REVISION) -#error "The header file 'mainwindow.h' doesn't include ." -#elif Q_MOC_OUTPUT_REVISION != 63 -#error "This file was generated using the moc from 4.8.5. It" -#error "cannot be used with the include files from this version of Qt." -#error "(The moc has changed too much.)" -#endif - -QT_BEGIN_MOC_NAMESPACE -static const uint qt_meta_data_MainWindow[] = { - - // content: - 6, // revision - 0, // classname - 0, 0, // classinfo - 42, 14, // methods - 0, 0, // properties - 0, 0, // enums/sets - 0, 0, // constructors - 0, // flags - 0, // signalCount - - // slots: signature, parameters, type, tag, flags - 17, 12, 11, 11, 0x08, - 55, 12, 11, 11, 0x08, - 99, 12, 11, 11, 0x08, - 141, 12, 11, 11, 0x08, - 186, 12, 11, 11, 0x08, - 231, 12, 11, 11, 0x08, - 276, 12, 11, 11, 0x08, - 322, 316, 11, 11, 0x08, - 369, 12, 11, 11, 0x08, - 408, 12, 11, 11, 0x08, - 447, 316, 11, 11, 0x08, - 493, 12, 11, 11, 0x08, - 531, 11, 11, 11, 0x08, - 567, 11, 11, 11, 0x08, - 601, 11, 11, 11, 0x08, - 635, 11, 11, 11, 0x08, - 667, 11, 11, 11, 0x08, - 707, 11, 11, 11, 0x08, - 746, 11, 11, 11, 0x08, - 782, 11, 11, 11, 0x08, - 820, 11, 11, 11, 0x08, - 856, 11, 11, 11, 0x08, - 893, 11, 11, 11, 0x08, - 927, 11, 11, 11, 0x08, - 964, 11, 11, 11, 0x08, - 1000, 11, 11, 11, 0x08, - 1033, 11, 11, 11, 0x08, - 1069, 11, 11, 11, 0x08, - 1103, 11, 11, 11, 0x08, - 1135, 11, 11, 11, 0x08, - 1170, 11, 11, 11, 0x08, - 1202, 11, 11, 11, 0x08, - 1236, 11, 11, 11, 0x08, - 1274, 11, 11, 11, 0x08, - 1310, 11, 11, 11, 0x08, - 1345, 11, 11, 11, 0x08, - 1379, 316, 11, 11, 0x08, - 1428, 11, 11, 11, 0x08, - 1467, 11, 11, 11, 0x08, - 1506, 11, 11, 11, 0x08, - 1544, 11, 11, 11, 0x08, - 1578, 11, 11, 11, 0x08, - - 0 // eod -}; - -static const char qt_meta_stringdata_MainWindow[] = { - "MainWindow\0\0arg1\0on_trj_checkBox_log_stateChanged(int)\0" - "on_statgen_checkBox_depth_stateChanged(int)\0" - "on_statgen_checkBox_log_stateChanged(int)\0" - "on_statgen_checkBox_atoms1_stateChanged(int)\0" - "on_statgen_checkBox_atoms2_stateChanged(int)\0" - "on_statgen_checkBox_atoms3_stateChanged(int)\0" - "on_envir_checkBox_log_stateChanged(int)\0" - "index\0on_radf_comboBox_atom_currentIndexChanged(int)\0" - "on_radf_checkBox_ang_stateChanged(int)\0" - "on_radf_checkBox_log_stateChanged(int)\0" - "on_pdb_comboBox_mode_currentIndexChanged(int)\0" - "on_pdb_checkBox_log_stateChanged(int)\0" - "on_trj_pushButton_workDir_clicked()\0" - "on_trj_pushButton_input_clicked()\0" - "on_trj_pushButton_atoms_clicked()\0" - "on_trj_pushButton_log_clicked()\0" - "on_statgen_pushButton_workDir_clicked()\0" - "on_statgen_pushButton_output_clicked()\0" - "on_statgen_pushButton_log_clicked()\0" - "on_envir_pushButton_workDir_clicked()\0" - "on_envir_pushButton_input_clicked()\0" - "on_envir_pushButton_output_clicked()\0" - "on_envir_pushButton_log_clicked()\0" - "on_radf_pushButton_workDir_clicked()\0" - "on_radf_pushButton_output_clicked()\0" - "on_radf_pushButton_log_clicked()\0" - "on_pdb_pushButton_workDir_clicked()\0" - "on_pdb_pushButton_input_clicked()\0" - "on_pdb_pushButton_agl_clicked()\0" - "on_pdb_pushButton_output_clicked()\0" - "on_pdb_pushButton_log_clicked()\0" - "on_trj_pushButton_clear_clicked()\0" - "on_statgen_pushButton_clear_clicked()\0" - "on_envir_pushButton_clear_clicked()\0" - "on_radf_pushButton_clear_clicked()\0" - "on_pdb_pushButton_clear_clicked()\0" - "on_statgen_comboBox_int_currentIndexChanged(int)\0" - "on_stagen_pushButton_intSave_clicked()\0" - "on_statgen_pushButton_intAdd_clicked()\0" - "on_stagen_pushButton_intRem_clicked()\0" - "on_trj_pushButton_start_clicked()\0" - "on_statgen_pushButton_start_clicked()\0" -}; - -void MainWindow::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a) -{ - if (_c == QMetaObject::InvokeMetaMethod) { - Q_ASSERT(staticMetaObject.cast(_o)); - MainWindow *_t = static_cast(_o); - switch (_id) { - case 0: _t->on_trj_checkBox_log_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break; - case 1: _t->on_statgen_checkBox_depth_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break; - case 2: _t->on_statgen_checkBox_log_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break; - case 3: _t->on_statgen_checkBox_atoms1_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break; - case 4: _t->on_statgen_checkBox_atoms2_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break; - case 5: _t->on_statgen_checkBox_atoms3_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break; - case 6: _t->on_envir_checkBox_log_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break; - case 7: _t->on_radf_comboBox_atom_currentIndexChanged((*reinterpret_cast< int(*)>(_a[1]))); break; - case 8: _t->on_radf_checkBox_ang_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break; - case 9: _t->on_radf_checkBox_log_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break; - case 10: _t->on_pdb_comboBox_mode_currentIndexChanged((*reinterpret_cast< int(*)>(_a[1]))); break; - case 11: _t->on_pdb_checkBox_log_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break; - case 12: _t->on_trj_pushButton_workDir_clicked(); break; - case 13: _t->on_trj_pushButton_input_clicked(); break; - case 14: _t->on_trj_pushButton_atoms_clicked(); break; - case 15: _t->on_trj_pushButton_log_clicked(); break; - case 16: _t->on_statgen_pushButton_workDir_clicked(); break; - case 17: _t->on_statgen_pushButton_output_clicked(); break; - case 18: _t->on_statgen_pushButton_log_clicked(); break; - case 19: _t->on_envir_pushButton_workDir_clicked(); break; - case 20: _t->on_envir_pushButton_input_clicked(); break; - case 21: _t->on_envir_pushButton_output_clicked(); break; - case 22: _t->on_envir_pushButton_log_clicked(); break; - case 23: _t->on_radf_pushButton_workDir_clicked(); break; - case 24: _t->on_radf_pushButton_output_clicked(); break; - case 25: _t->on_radf_pushButton_log_clicked(); break; - case 26: _t->on_pdb_pushButton_workDir_clicked(); break; - case 27: _t->on_pdb_pushButton_input_clicked(); break; - case 28: _t->on_pdb_pushButton_agl_clicked(); break; - case 29: _t->on_pdb_pushButton_output_clicked(); break; - case 30: _t->on_pdb_pushButton_log_clicked(); break; - case 31: _t->on_trj_pushButton_clear_clicked(); break; - case 32: _t->on_statgen_pushButton_clear_clicked(); break; - case 33: _t->on_envir_pushButton_clear_clicked(); break; - case 34: _t->on_radf_pushButton_clear_clicked(); break; - case 35: _t->on_pdb_pushButton_clear_clicked(); break; - case 36: _t->on_statgen_comboBox_int_currentIndexChanged((*reinterpret_cast< int(*)>(_a[1]))); break; - case 37: _t->on_stagen_pushButton_intSave_clicked(); break; - case 38: _t->on_statgen_pushButton_intAdd_clicked(); break; - case 39: _t->on_stagen_pushButton_intRem_clicked(); break; - case 40: _t->on_trj_pushButton_start_clicked(); break; - case 41: _t->on_statgen_pushButton_start_clicked(); break; - default: ; - } - } -} - -const QMetaObjectExtraData MainWindow::staticMetaObjectExtraData = { - 0, qt_static_metacall -}; - -const QMetaObject MainWindow::staticMetaObject = { - { &QMainWindow::staticMetaObject, qt_meta_stringdata_MainWindow, - qt_meta_data_MainWindow, &staticMetaObjectExtraData } -}; - -#ifdef Q_NO_DATA_RELOCATION -const QMetaObject &MainWindow::getStaticMetaObject() { return staticMetaObject; } -#endif //Q_NO_DATA_RELOCATION - -const QMetaObject *MainWindow::metaObject() const -{ - return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject; -} - -void *MainWindow::qt_metacast(const char *_clname) -{ - if (!_clname) return 0; - if (!strcmp(_clname, qt_meta_stringdata_MainWindow)) - return static_cast(const_cast< MainWindow*>(this)); - return QMainWindow::qt_metacast(_clname); -} - -int MainWindow::qt_metacall(QMetaObject::Call _c, int _id, void **_a) -{ - _id = QMainWindow::qt_metacall(_c, _id, _a); - if (_id < 0) - return _id; - if (_c == QMetaObject::InvokeMetaMethod) { - if (_id < 42) - qt_static_metacall(this, _c, _id, _a); - _id -= 42; - } - return _id; -} -QT_END_MOC_NAMESPACE diff --git a/mathmech/moc_start_events.cpp b/mathmech/moc_start_events.cpp deleted file mode 100644 index cf96002..0000000 --- a/mathmech/moc_start_events.cpp +++ /dev/null @@ -1,80 +0,0 @@ -/**************************************************************************** -** Meta object code from reading C++ file 'start_events.h' -** -** Created by: The Qt Meta Object Compiler version 63 (Qt 4.8.5) -** -** WARNING! All changes made in this file will be lost! -*****************************************************************************/ - -#include "start_events.h" -#if !defined(Q_MOC_OUTPUT_REVISION) -#error "The header file 'start_events.h' doesn't include ." -#elif Q_MOC_OUTPUT_REVISION != 63 -#error "This file was generated using the moc from 4.8.5. It" -#error "cannot be used with the include files from this version of Qt." -#error "(The moc has changed too much.)" -#endif - -QT_BEGIN_MOC_NAMESPACE -static const uint qt_meta_data_Start_events[] = { - - // content: - 6, // revision - 0, // classname - 0, 0, // classinfo - 0, 0, // methods - 0, 0, // properties - 0, 0, // enums/sets - 0, 0, // constructors - 0, // flags - 0, // signalCount - - 0 // eod -}; - -static const char qt_meta_stringdata_Start_events[] = { - "Start_events\0" -}; - -void Start_events::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a) -{ - Q_UNUSED(_o); - Q_UNUSED(_id); - Q_UNUSED(_c); - Q_UNUSED(_a); -} - -const QMetaObjectExtraData Start_events::staticMetaObjectExtraData = { - 0, qt_static_metacall -}; - -const QMetaObject Start_events::staticMetaObject = { - { &QWidget::staticMetaObject, qt_meta_stringdata_Start_events, - qt_meta_data_Start_events, &staticMetaObjectExtraData } -}; - -#ifdef Q_NO_DATA_RELOCATION -const QMetaObject &Start_events::getStaticMetaObject() { return staticMetaObject; } -#endif //Q_NO_DATA_RELOCATION - -const QMetaObject *Start_events::metaObject() const -{ - return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject; -} - -void *Start_events::qt_metacast(const char *_clname) -{ - if (!_clname) return 0; - if (!strcmp(_clname, qt_meta_stringdata_Start_events)) - return static_cast(const_cast< Start_events*>(this)); - return QWidget::qt_metacast(_clname); -} - -int Start_events::qt_metacall(QMetaObject::Call _c, int _id, void **_a) -{ - _id = QWidget::qt_metacall(_c, _id, _a); - if (_id < 0) - return _id; - return _id; -} -QT_END_MOC_NAMESPACE diff --git a/mathmech/start_events.cpp b/mathmech/start_events.cpp index 73f7758..c5e790e 100644 --- a/mathmech/start_events.cpp +++ b/mathmech/start_events.cpp @@ -8,7 +8,6 @@ #include "ui_errorwindow.h" #include -#include 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; } diff --git a/mathmech/start_events.h b/mathmech/start_events.h index 4155ee1..3780a3d 100644 --- a/mathmech/start_events.h +++ b/mathmech/start_events.h @@ -13,6 +13,8 @@ public: explicit Start_events(MainWindow *wid = 0); void start_trj(QString mm_trj_path); void start_statgen(QString mm_statgen_path); + void stat_envir(QString mm_envir_path); + void stat_radf(QString mm_radf_path); signals: diff --git a/mathmech/ui_errorwindow.h b/mathmech/ui_errorwindow.h deleted file mode 100644 index 83a8103..0000000 --- a/mathmech/ui_errorwindow.h +++ /dev/null @@ -1,112 +0,0 @@ -/******************************************************************************** -** Form generated from reading UI file 'errorwindow.ui' -** -** Created by: Qt User Interface Compiler version 4.8.5 -** -** WARNING! All changes made in this file will be lost when recompiling UI file! -********************************************************************************/ - -#ifndef UI_ERRORWINDOW_H -#define UI_ERRORWINDOW_H - -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include - -QT_BEGIN_NAMESPACE - -class Ui_ErrorWindow -{ -public: - QWidget *centralwidget; - QVBoxLayout *verticalLayout; - QSpacerItem *verticalSpacer_2; - QHBoxLayout *horizontalLayout_3; - QLabel *label; - QSpacerItem *verticalSpacer; - QHBoxLayout *horizontalLayout; - QSpacerItem *horizontalSpacer; - QPushButton *pushButton; - QSpacerItem *horizontalSpacer_2; - - void setupUi(QMainWindow *ErrorWindow) - { - if (ErrorWindow->objectName().isEmpty()) - ErrorWindow->setObjectName(QString::fromUtf8("ErrorWindow")); - ErrorWindow->resize(287, 101); - centralwidget = new QWidget(ErrorWindow); - centralwidget->setObjectName(QString::fromUtf8("centralwidget")); - verticalLayout = new QVBoxLayout(centralwidget); - verticalLayout->setObjectName(QString::fromUtf8("verticalLayout")); - verticalSpacer_2 = new QSpacerItem(20, 10, QSizePolicy::Minimum, QSizePolicy::Expanding); - - verticalLayout->addItem(verticalSpacer_2); - - horizontalLayout_3 = new QHBoxLayout(); - horizontalLayout_3->setObjectName(QString::fromUtf8("horizontalLayout_3")); - label = new QLabel(centralwidget); - label->setObjectName(QString::fromUtf8("label")); - label->setMinimumSize(QSize(0, 30)); - label->setAlignment(Qt::AlignCenter); - - horizontalLayout_3->addWidget(label); - - - verticalLayout->addLayout(horizontalLayout_3); - - verticalSpacer = new QSpacerItem(20, 10, QSizePolicy::Minimum, QSizePolicy::Expanding); - - verticalLayout->addItem(verticalSpacer); - - horizontalLayout = new QHBoxLayout(); - horizontalLayout->setObjectName(QString::fromUtf8("horizontalLayout")); - horizontalSpacer = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - horizontalLayout->addItem(horizontalSpacer); - - pushButton = new QPushButton(centralwidget); - pushButton->setObjectName(QString::fromUtf8("pushButton")); - pushButton->setMinimumSize(QSize(80, 23)); - - horizontalLayout->addWidget(pushButton); - - horizontalSpacer_2 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - horizontalLayout->addItem(horizontalSpacer_2); - - - verticalLayout->addLayout(horizontalLayout); - - ErrorWindow->setCentralWidget(centralwidget); - - retranslateUi(ErrorWindow); - QObject::connect(pushButton, SIGNAL(clicked()), ErrorWindow, SLOT(close())); - - QMetaObject::connectSlotsByName(ErrorWindow); - } // setupUi - - void retranslateUi(QMainWindow *ErrorWindow) - { - ErrorWindow->setWindowTitle(QApplication::translate("ErrorWindow", "Error", 0, QApplication::UnicodeUTF8)); - label->setText(QApplication::translate("ErrorWindow", "Error text", 0, QApplication::UnicodeUTF8)); - pushButton->setText(QApplication::translate("ErrorWindow", "Ok", 0, QApplication::UnicodeUTF8)); - } // retranslateUi - -}; - -namespace Ui { - class ErrorWindow: public Ui_ErrorWindow {}; -} // namespace Ui - -QT_END_NAMESPACE - -#endif // UI_ERRORWINDOW_H diff --git a/mathmech/ui_mainwindow.h b/mathmech/ui_mainwindow.h deleted file mode 100644 index 7f3e891..0000000 --- a/mathmech/ui_mainwindow.h +++ /dev/null @@ -1,2223 +0,0 @@ -/******************************************************************************** -** Form generated from reading UI file 'mainwindow.ui' -** -** Created by: Qt User Interface Compiler version 4.8.5 -** -** WARNING! All changes made in this file will be lost when recompiling UI file! -********************************************************************************/ - -#ifndef UI_MAINWINDOW_H -#define UI_MAINWINDOW_H - -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include - -QT_BEGIN_NAMESPACE - -class Ui_MainWindow -{ -public: - QAction *actionExit; - QAction *actionHelp; - QAction *actionAbout; - QWidget *centralWidget; - QGridLayout *gridLayout; - QTabWidget *tabWidget; - QWidget *trj; - QVBoxLayout *verticalLayout; - QHBoxLayout *trj_layout_workDir; - QLabel *trj_label_workDir; - QLineEdit *trj_lineEdit_workDir; - QPushButton *trj_pushButton_workDir; - QHBoxLayout *trj_layout_input; - QLabel *trj_label_input; - QLineEdit *trj_lineEdit_input; - QPushButton *trj_pushButton_input; - QHBoxLayout *trj_layout_opt_1; - QLabel *trj_label_type; - QComboBox *trj_comboBox_type; - QSpacerItem *horizontalSpacer_2; - QLabel *trj_label_steps; - QSpinBox *trj_spinBox_steps; - QSpacerItem *horizontalSpacer_7; - QHBoxLayout *trj_layout_atoms; - QLabel *trj_label_atoms; - QLineEdit *trj_lineEdit_atoms; - QPushButton *trj_pushButton_atoms; - QHBoxLayout *trj_layout_output; - QLabel *trj_label_output; - QLineEdit *trj_lineEdit_output; - QHBoxLayout *trj_layout_opt_2; - QLabel *trj_label_totalTypes; - QSpinBox *trj_spinBox_totalTypes; - QCheckBox *trj_checkBox_log; - QLineEdit *trj_lineEdit_log; - QPushButton *trj_pushButton_log; - QSpacerItem *verticalSpacer; - QHBoxLayout *trj_layout_buttons; - QPushButton *trj_pushButton_clear; - QSpacerItem *horizontalSpacer; - QPushButton *trj_pushButton_start; - QWidget *statgen; - QVBoxLayout *verticalLayout_2; - QHBoxLayout *statgen_layout_workDir; - QLabel *statgen_label_workDir; - QLineEdit *statgen_lineEdit_workDir; - QPushButton *statgen_pushButton_workDir; - QHBoxLayout *statgen_layout_input; - QLabel *statgen_label_input; - QLineEdit *statgen_lineEdit_input; - QHBoxLayout *statgen_layout_steps; - QLabel *statgen_label_steps; - QLabel *statgen_label_stepsFirst; - QSpinBox *statgen_spinBox_stepsFirst; - QSpacerItem *horizontalSpacer_4; - QLabel *statgen_label_stepsLast; - QSpinBox *statgen_spinBox_stepsLast; - QSpacerItem *horizontalSpacer_6; - QHBoxLayout *statgen_layout_cell; - QLabel *statgen_label_cell; - QLabel *statgen_label_cellX; - QDoubleSpinBox *statgen_doubleSpinBox_cellX; - QLabel *statgen_label_cellY; - QDoubleSpinBox *statgen_doubleSpinBox_cellY; - QLabel *statgen_label_cellZ; - QDoubleSpinBox *statgen_doubleSpinBox_cellZ; - QHBoxLayout *statgen_layout_atoms; - QLabel *statgen_label_atoms0; - QSpinBox *statgen_spinBox_atoms0; - QCheckBox *statgen_checkBox_atoms1; - QSpinBox *statgen_spinBox_atoms1; - QCheckBox *statgen_checkBox_atoms2; - QSpinBox *statgen_spinBox_atoms2; - QCheckBox *statgen_checkBox_atoms3; - QSpinBox *statgen_spinBox_atoms3; - QHBoxLayout *statgen_layout_int; - QLabel *statgen_label_int; - QComboBox *statgen_comboBox_int; - QDoubleSpinBox *statgen_doubleSpinBox_int; - QPushButton *stagen_pushButton_intSave; - QPushButton *statgen_pushButton_intAdd; - QListWidget *statgen_listWidget_int; - QHBoxLayout *stagen_layout_intRem; - QSpacerItem *horizontalSpacer_5; - QPushButton *stagen_pushButton_intRem; - QHBoxLayout *statgen_layout_output; - QLabel *statgen_label_output; - QLineEdit *statgen_lineEdit_output; - QPushButton *statgen_pushButton_output; - QHBoxLayout *statgen_layout_opt; - QCheckBox *statgen_checkBox_depth; - QSpinBox *statgen_spinBox_depth; - QCheckBox *statgen_checkBox_log; - QLineEdit *statgen_lineEdit_log; - QPushButton *statgen_pushButton_log; - QHBoxLayout *statgen_layout_buttons; - QPushButton *statgen_pushButton_clear; - QSpacerItem *horizontalSpacer_3; - QPushButton *statgen_pushButton_start; - QWidget *envir; - QVBoxLayout *verticalLayout_3; - QHBoxLayout *envir_layout_workDir; - QLabel *envir_label_workDir; - QLineEdit *envir_lineEdit_workDir; - QPushButton *envir_pushButton_workDir; - QHBoxLayout *envir_layout_input; - QLabel *envir_label_input; - QLineEdit *envir_lineEdit_input; - QPushButton *envir_pushButton_input; - QHBoxLayout *envir_layout_cell; - QLabel *envir_label_cell; - QLabel *envir_label_cellX; - QDoubleSpinBox *envir_doubleSpinBox_cellX; - QLabel *envir_label_cellY; - QDoubleSpinBox *envir_doubleSpinBox_cellY; - QLabel *envir_label_cellZ; - QDoubleSpinBox *envir_doubleSpinBox_cellZ; - QHBoxLayout *envir_layout_output; - QLabel *envir_label_output; - QLineEdit *envir_lineEdit_output; - QPushButton *envir_pushButton_output; - QHBoxLayout *envir_layout_opt_1; - QLabel *envir_label_molecule; - QSpinBox *envir_spinBox_molecule; - QSpacerItem *horizontalSpacer_8; - QLabel *envir_label_radius; - QDoubleSpinBox *envir_doubleSpinBox_radius; - QSpacerItem *horizontalSpacer_9; - QHBoxLayout *envir_layout_opt_2; - QCheckBox *envir_checkBox_log; - QLineEdit *envir_lineEdit_log; - QPushButton *envir_pushButton_log; - QSpacerItem *verticalSpacer_2; - QHBoxLayout *envir_layout_buttons; - QPushButton *envir_pushButton_clear; - QSpacerItem *horizontalSpacer_10; - QPushButton *envir_pushButton_start; - QWidget *radf; - QVBoxLayout *verticalLayout_4; - QHBoxLayout *radf_layout_workDir; - QLabel *radf_label_workDir; - QLineEdit *radf_lineEdit_workDir; - QPushButton *radf_pushButton_workDir; - QHBoxLayout *radf_layout_input; - QLabel *radf_label_input; - QLineEdit *radf_lineEdit_input; - QHBoxLayout *radf_layout_steps; - QLabel *radf_label_steps; - QLabel *radf_label_stepsFirst; - QSpinBox *radf_spinBox_stepsFirst; - QSpacerItem *horizontalSpacer_11; - QLabel *radf_label_stepsLast; - QSpinBox *radf_spinBox_stepsLast; - QSpacerItem *horizontalSpacer_12; - QHBoxLayout *radf_layout_cell; - QLabel *radf_label_cell; - QLabel *radf_label_cellX; - QDoubleSpinBox *radf_doubleSpinBox_cellX; - QLabel *radf_label_cellY; - QDoubleSpinBox *radf_doubleSpinBox_cellY; - QLabel *radf_label_cellZ; - QDoubleSpinBox *radf_doubleSpinBox_cellZ; - QHBoxLayout *radf_layout_output; - QLabel *radf_label_output; - QLineEdit *radf_lineEdit_output; - QPushButton *radf_pushButton_output; - QHBoxLayout *radf_layout_atom1; - QComboBox *radf_comboBox_atom; - QLabel *radf_label_atoms0; - QSpinBox *radf_spinBox_atoms0; - QLabel *radf_label_atoms1; - QSpinBox *radf_spinBox_atoms1; - QLabel *radf_label_atoms2; - QSpinBox *radf_spinBox_atoms2; - QHBoxLayout *radf_layout_atom2; - QSpacerItem *horizontalSpacer_14; - QLabel *radf_label_atoms3; - QSpinBox *radf_spinBox_atoms3; - QLabel *radf_label_atoms4; - QSpinBox *radf_spinBox_atoms4; - QLabel *radf_label_atoms5; - QSpinBox *radf_spinBox_atoms5; - QHBoxLayout *radf_layout_rad; - QLabel *radf_label_rad; - QLabel *radf_label_radMin; - QDoubleSpinBox *radf_doubleSpinBox_radMin; - QLabel *radf_label_radMax; - QDoubleSpinBox *radf_doubleSpinBox_radMax; - QLabel *radf_label_radStep; - QDoubleSpinBox *radf_doubleSpinBox_radStep; - QHBoxLayout *radf_layout_ang; - QCheckBox *radf_checkBox_ang; - QLabel *radf_label_angMin; - QDoubleSpinBox *radf_doubleSpinBox_angMin; - QLabel *radf_label_angMax; - QDoubleSpinBox *radf_doubleSpinBox_angMax; - QLabel *radf_label_angStep; - QDoubleSpinBox *radf_doubleSpinBox_angStep; - QHBoxLayout *radf_layout_opt; - QCheckBox *radf_checkBox_matrix; - QCheckBox *radf_checkBox_log; - QLineEdit *radf_lineEdit_log; - QPushButton *radf_pushButton_log; - QSpacerItem *verticalSpacer_3; - QHBoxLayout *radf_layout_buttons; - QPushButton *radf_pushButton_clear; - QSpacerItem *horizontalSpacer_13; - QPushButton *radf_pushButton_start; - QWidget *pdb; - QVBoxLayout *verticalLayout_5; - QComboBox *pdb_comboBox_mode; - QHBoxLayout *pdb_layout_workDir; - QLabel *pdb_label_workDir; - QLineEdit *pdb_lineEdit_workDir; - QPushButton *pdb_pushButton_workDir; - QHBoxLayout *pdb_layout_input; - QLabel *pdb_label_input; - QLineEdit *pdb_lineEdit_input; - QPushButton *pdb_pushButton_input; - QHBoxLayout *pdb_layout_agl; - QLabel *pdb_label_agl; - QLineEdit *pdb_lineEdit_agl; - QPushButton *pdb_pushButton_agl; - QHBoxLayout *pdb_layout_cell; - QLabel *pdb_label_cell; - QLabel *pdb_label_cellX; - QDoubleSpinBox *pdb_doubleSpinBox_cellX; - QLabel *pdb_label_cellY; - QDoubleSpinBox *pdb_doubleSpinBox_cellY; - QLabel *pdb_label_cellZ; - QDoubleSpinBox *pdb_doubleSpinBox_cellZ; - QHBoxLayout *pdb_layout_output; - QLabel *pdb_label_output; - QLineEdit *pdb_lineEdit_output; - QPushButton *pdb_pushButton_output; - QHBoxLayout *pdb_layout_opt; - QCheckBox *pdb_checkBox_log; - QLineEdit *pdb_lineEdit_log; - QPushButton *pdb_pushButton_log; - QSpacerItem *verticalSpacer_4; - QHBoxLayout *pdb_layout_buttons; - QPushButton *pdb_pushButton_clear; - QSpacerItem *horizontalSpacer_15; - QPushButton *pdb_pushButton_start; - QMenuBar *menuBar; - QMenu *menuMenu; - QMenu *menuHelp; - QToolBar *mainToolBar; - QStatusBar *statusBar; - - void setupUi(QMainWindow *MainWindow) - { - if (MainWindow->objectName().isEmpty()) - MainWindow->setObjectName(QString::fromUtf8("MainWindow")); - MainWindow->resize(564, 554); - actionExit = new QAction(MainWindow); - actionExit->setObjectName(QString::fromUtf8("actionExit")); - actionHelp = new QAction(MainWindow); - actionHelp->setObjectName(QString::fromUtf8("actionHelp")); - actionAbout = new QAction(MainWindow); - actionAbout->setObjectName(QString::fromUtf8("actionAbout")); - centralWidget = new QWidget(MainWindow); - centralWidget->setObjectName(QString::fromUtf8("centralWidget")); - gridLayout = new QGridLayout(centralWidget); - gridLayout->setSpacing(6); - gridLayout->setContentsMargins(11, 11, 11, 11); - gridLayout->setObjectName(QString::fromUtf8("gridLayout")); - tabWidget = new QTabWidget(centralWidget); - tabWidget->setObjectName(QString::fromUtf8("tabWidget")); - trj = new QWidget(); - trj->setObjectName(QString::fromUtf8("trj")); - verticalLayout = new QVBoxLayout(trj); - verticalLayout->setSpacing(6); - verticalLayout->setContentsMargins(11, 11, 11, 11); - verticalLayout->setObjectName(QString::fromUtf8("verticalLayout")); - trj_layout_workDir = new QHBoxLayout(); - trj_layout_workDir->setSpacing(6); - trj_layout_workDir->setObjectName(QString::fromUtf8("trj_layout_workDir")); - trj_label_workDir = new QLabel(trj); - trj_label_workDir->setObjectName(QString::fromUtf8("trj_label_workDir")); - trj_label_workDir->setMinimumSize(QSize(110, 23)); - - trj_layout_workDir->addWidget(trj_label_workDir); - - trj_lineEdit_workDir = new QLineEdit(trj); - trj_lineEdit_workDir->setObjectName(QString::fromUtf8("trj_lineEdit_workDir")); - trj_lineEdit_workDir->setMinimumSize(QSize(280, 23)); - - trj_layout_workDir->addWidget(trj_lineEdit_workDir); - - trj_pushButton_workDir = new QPushButton(trj); - trj_pushButton_workDir->setObjectName(QString::fromUtf8("trj_pushButton_workDir")); - trj_pushButton_workDir->setMinimumSize(QSize(80, 23)); - trj_pushButton_workDir->setAutoDefault(true); - - trj_layout_workDir->addWidget(trj_pushButton_workDir); - - - verticalLayout->addLayout(trj_layout_workDir); - - trj_layout_input = new QHBoxLayout(); - trj_layout_input->setSpacing(6); - trj_layout_input->setObjectName(QString::fromUtf8("trj_layout_input")); - trj_label_input = new QLabel(trj); - trj_label_input->setObjectName(QString::fromUtf8("trj_label_input")); - trj_label_input->setMinimumSize(QSize(110, 23)); - - trj_layout_input->addWidget(trj_label_input); - - trj_lineEdit_input = new QLineEdit(trj); - trj_lineEdit_input->setObjectName(QString::fromUtf8("trj_lineEdit_input")); - trj_lineEdit_input->setMinimumSize(QSize(280, 23)); - - trj_layout_input->addWidget(trj_lineEdit_input); - - trj_pushButton_input = new QPushButton(trj); - trj_pushButton_input->setObjectName(QString::fromUtf8("trj_pushButton_input")); - trj_pushButton_input->setMinimumSize(QSize(80, 23)); - trj_pushButton_input->setAutoDefault(true); - - trj_layout_input->addWidget(trj_pushButton_input); - - - verticalLayout->addLayout(trj_layout_input); - - trj_layout_opt_1 = new QHBoxLayout(); - trj_layout_opt_1->setSpacing(6); - trj_layout_opt_1->setObjectName(QString::fromUtf8("trj_layout_opt_1")); - trj_label_type = new QLabel(trj); - trj_label_type->setObjectName(QString::fromUtf8("trj_label_type")); - trj_label_type->setMinimumSize(QSize(110, 23)); - - trj_layout_opt_1->addWidget(trj_label_type); - - trj_comboBox_type = new QComboBox(trj); - trj_comboBox_type->setObjectName(QString::fromUtf8("trj_comboBox_type")); - trj_comboBox_type->setMinimumSize(QSize(130, 23)); - - trj_layout_opt_1->addWidget(trj_comboBox_type); - - horizontalSpacer_2 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - trj_layout_opt_1->addItem(horizontalSpacer_2); - - trj_label_steps = new QLabel(trj); - trj_label_steps->setObjectName(QString::fromUtf8("trj_label_steps")); - trj_label_steps->setMinimumSize(QSize(110, 23)); - - trj_layout_opt_1->addWidget(trj_label_steps); - - trj_spinBox_steps = new QSpinBox(trj); - trj_spinBox_steps->setObjectName(QString::fromUtf8("trj_spinBox_steps")); - trj_spinBox_steps->setMinimumSize(QSize(75, 23)); - trj_spinBox_steps->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - trj_spinBox_steps->setMinimum(1); - trj_spinBox_steps->setMaximum(999); - - trj_layout_opt_1->addWidget(trj_spinBox_steps); - - horizontalSpacer_7 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - trj_layout_opt_1->addItem(horizontalSpacer_7); - - - verticalLayout->addLayout(trj_layout_opt_1); - - trj_layout_atoms = new QHBoxLayout(); - trj_layout_atoms->setSpacing(6); - trj_layout_atoms->setObjectName(QString::fromUtf8("trj_layout_atoms")); - trj_label_atoms = new QLabel(trj); - trj_label_atoms->setObjectName(QString::fromUtf8("trj_label_atoms")); - trj_label_atoms->setMinimumSize(QSize(110, 23)); - - trj_layout_atoms->addWidget(trj_label_atoms); - - trj_lineEdit_atoms = new QLineEdit(trj); - trj_lineEdit_atoms->setObjectName(QString::fromUtf8("trj_lineEdit_atoms")); - trj_lineEdit_atoms->setMinimumSize(QSize(280, 23)); - - trj_layout_atoms->addWidget(trj_lineEdit_atoms); - - trj_pushButton_atoms = new QPushButton(trj); - trj_pushButton_atoms->setObjectName(QString::fromUtf8("trj_pushButton_atoms")); - trj_pushButton_atoms->setMinimumSize(QSize(80, 23)); - trj_pushButton_atoms->setAutoDefault(true); - - trj_layout_atoms->addWidget(trj_pushButton_atoms); - - - verticalLayout->addLayout(trj_layout_atoms); - - trj_layout_output = new QHBoxLayout(); - trj_layout_output->setSpacing(6); - trj_layout_output->setObjectName(QString::fromUtf8("trj_layout_output")); - trj_label_output = new QLabel(trj); - trj_label_output->setObjectName(QString::fromUtf8("trj_label_output")); - trj_label_output->setMinimumSize(QSize(110, 23)); - - trj_layout_output->addWidget(trj_label_output); - - trj_lineEdit_output = new QLineEdit(trj); - trj_lineEdit_output->setObjectName(QString::fromUtf8("trj_lineEdit_output")); - trj_lineEdit_output->setMinimumSize(QSize(365, 23)); - - trj_layout_output->addWidget(trj_lineEdit_output); - - - verticalLayout->addLayout(trj_layout_output); - - trj_layout_opt_2 = new QHBoxLayout(); - trj_layout_opt_2->setSpacing(6); - trj_layout_opt_2->setObjectName(QString::fromUtf8("trj_layout_opt_2")); - trj_label_totalTypes = new QLabel(trj); - trj_label_totalTypes->setObjectName(QString::fromUtf8("trj_label_totalTypes")); - trj_label_totalTypes->setMinimumSize(QSize(110, 23)); - - trj_layout_opt_2->addWidget(trj_label_totalTypes); - - trj_spinBox_totalTypes = new QSpinBox(trj); - trj_spinBox_totalTypes->setObjectName(QString::fromUtf8("trj_spinBox_totalTypes")); - trj_spinBox_totalTypes->setMinimumSize(QSize(80, 23)); - trj_spinBox_totalTypes->setLayoutDirection(Qt::LeftToRight); - trj_spinBox_totalTypes->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - trj_spinBox_totalTypes->setMinimum(1024); - trj_spinBox_totalTypes->setMaximum(999999); - - trj_layout_opt_2->addWidget(trj_spinBox_totalTypes); - - trj_checkBox_log = new QCheckBox(trj); - trj_checkBox_log->setObjectName(QString::fromUtf8("trj_checkBox_log")); - trj_checkBox_log->setMinimumSize(QSize(110, 23)); - trj_checkBox_log->setChecked(true); - - trj_layout_opt_2->addWidget(trj_checkBox_log); - - trj_lineEdit_log = new QLineEdit(trj); - trj_lineEdit_log->setObjectName(QString::fromUtf8("trj_lineEdit_log")); - trj_lineEdit_log->setMinimumSize(QSize(80, 23)); - - trj_layout_opt_2->addWidget(trj_lineEdit_log); - - trj_pushButton_log = new QPushButton(trj); - trj_pushButton_log->setObjectName(QString::fromUtf8("trj_pushButton_log")); - trj_pushButton_log->setMinimumSize(QSize(80, 23)); - trj_pushButton_log->setAutoDefault(true); - - trj_layout_opt_2->addWidget(trj_pushButton_log); - - - verticalLayout->addLayout(trj_layout_opt_2); - - verticalSpacer = new QSpacerItem(20, 40, QSizePolicy::Minimum, QSizePolicy::Expanding); - - verticalLayout->addItem(verticalSpacer); - - trj_layout_buttons = new QHBoxLayout(); - trj_layout_buttons->setSpacing(6); - trj_layout_buttons->setObjectName(QString::fromUtf8("trj_layout_buttons")); - trj_pushButton_clear = new QPushButton(trj); - trj_pushButton_clear->setObjectName(QString::fromUtf8("trj_pushButton_clear")); - trj_pushButton_clear->setMinimumSize(QSize(80, 23)); - trj_pushButton_clear->setAutoDefault(true); - - trj_layout_buttons->addWidget(trj_pushButton_clear); - - horizontalSpacer = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - trj_layout_buttons->addItem(horizontalSpacer); - - trj_pushButton_start = new QPushButton(trj); - trj_pushButton_start->setObjectName(QString::fromUtf8("trj_pushButton_start")); - trj_pushButton_start->setMinimumSize(QSize(80, 23)); - trj_pushButton_start->setMaximumSize(QSize(16777215, 16777215)); - trj_pushButton_start->setAutoDefault(true); - - trj_layout_buttons->addWidget(trj_pushButton_start); - - - verticalLayout->addLayout(trj_layout_buttons); - - tabWidget->addTab(trj, QString()); - statgen = new QWidget(); - statgen->setObjectName(QString::fromUtf8("statgen")); - verticalLayout_2 = new QVBoxLayout(statgen); - verticalLayout_2->setSpacing(6); - verticalLayout_2->setContentsMargins(11, 11, 11, 11); - verticalLayout_2->setObjectName(QString::fromUtf8("verticalLayout_2")); - statgen_layout_workDir = new QHBoxLayout(); - statgen_layout_workDir->setSpacing(6); - statgen_layout_workDir->setObjectName(QString::fromUtf8("statgen_layout_workDir")); - statgen_label_workDir = new QLabel(statgen); - statgen_label_workDir->setObjectName(QString::fromUtf8("statgen_label_workDir")); - statgen_label_workDir->setMinimumSize(QSize(110, 23)); - - statgen_layout_workDir->addWidget(statgen_label_workDir); - - statgen_lineEdit_workDir = new QLineEdit(statgen); - statgen_lineEdit_workDir->setObjectName(QString::fromUtf8("statgen_lineEdit_workDir")); - statgen_lineEdit_workDir->setMinimumSize(QSize(280, 23)); - - statgen_layout_workDir->addWidget(statgen_lineEdit_workDir); - - statgen_pushButton_workDir = new QPushButton(statgen); - statgen_pushButton_workDir->setObjectName(QString::fromUtf8("statgen_pushButton_workDir")); - statgen_pushButton_workDir->setMinimumSize(QSize(80, 23)); - statgen_pushButton_workDir->setAutoDefault(true); - - statgen_layout_workDir->addWidget(statgen_pushButton_workDir); - - - verticalLayout_2->addLayout(statgen_layout_workDir); - - statgen_layout_input = new QHBoxLayout(); - statgen_layout_input->setSpacing(6); - statgen_layout_input->setObjectName(QString::fromUtf8("statgen_layout_input")); - statgen_label_input = new QLabel(statgen); - statgen_label_input->setObjectName(QString::fromUtf8("statgen_label_input")); - statgen_label_input->setMinimumSize(QSize(110, 23)); - - statgen_layout_input->addWidget(statgen_label_input); - - statgen_lineEdit_input = new QLineEdit(statgen); - statgen_lineEdit_input->setObjectName(QString::fromUtf8("statgen_lineEdit_input")); - statgen_lineEdit_input->setMinimumSize(QSize(280, 23)); - - statgen_layout_input->addWidget(statgen_lineEdit_input); - - - verticalLayout_2->addLayout(statgen_layout_input); - - statgen_layout_steps = new QHBoxLayout(); - statgen_layout_steps->setSpacing(6); - statgen_layout_steps->setObjectName(QString::fromUtf8("statgen_layout_steps")); - statgen_label_steps = new QLabel(statgen); - statgen_label_steps->setObjectName(QString::fromUtf8("statgen_label_steps")); - statgen_label_steps->setMinimumSize(QSize(110, 23)); - - statgen_layout_steps->addWidget(statgen_label_steps); - - statgen_label_stepsFirst = new QLabel(statgen); - statgen_label_stepsFirst->setObjectName(QString::fromUtf8("statgen_label_stepsFirst")); - statgen_label_stepsFirst->setMinimumSize(QSize(75, 23)); - - statgen_layout_steps->addWidget(statgen_label_stepsFirst); - - statgen_spinBox_stepsFirst = new QSpinBox(statgen); - statgen_spinBox_stepsFirst->setObjectName(QString::fromUtf8("statgen_spinBox_stepsFirst")); - statgen_spinBox_stepsFirst->setMinimumSize(QSize(75, 23)); - statgen_spinBox_stepsFirst->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - statgen_spinBox_stepsFirst->setMinimum(1); - statgen_spinBox_stepsFirst->setMaximum(999); - - statgen_layout_steps->addWidget(statgen_spinBox_stepsFirst); - - horizontalSpacer_4 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - statgen_layout_steps->addItem(horizontalSpacer_4); - - statgen_label_stepsLast = new QLabel(statgen); - statgen_label_stepsLast->setObjectName(QString::fromUtf8("statgen_label_stepsLast")); - statgen_label_stepsLast->setMinimumSize(QSize(75, 23)); - - statgen_layout_steps->addWidget(statgen_label_stepsLast); - - statgen_spinBox_stepsLast = new QSpinBox(statgen); - statgen_spinBox_stepsLast->setObjectName(QString::fromUtf8("statgen_spinBox_stepsLast")); - statgen_spinBox_stepsLast->setMinimumSize(QSize(75, 23)); - statgen_spinBox_stepsLast->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - statgen_spinBox_stepsLast->setMinimum(1); - statgen_spinBox_stepsLast->setMaximum(999); - - statgen_layout_steps->addWidget(statgen_spinBox_stepsLast); - - horizontalSpacer_6 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - statgen_layout_steps->addItem(horizontalSpacer_6); - - - verticalLayout_2->addLayout(statgen_layout_steps); - - statgen_layout_cell = new QHBoxLayout(); - statgen_layout_cell->setSpacing(6); - statgen_layout_cell->setObjectName(QString::fromUtf8("statgen_layout_cell")); - statgen_label_cell = new QLabel(statgen); - statgen_label_cell->setObjectName(QString::fromUtf8("statgen_label_cell")); - statgen_label_cell->setMinimumSize(QSize(110, 23)); - - statgen_layout_cell->addWidget(statgen_label_cell); - - statgen_label_cellX = new QLabel(statgen); - statgen_label_cellX->setObjectName(QString::fromUtf8("statgen_label_cellX")); - statgen_label_cellX->setMinimumSize(QSize(50, 23)); - - statgen_layout_cell->addWidget(statgen_label_cellX); - - statgen_doubleSpinBox_cellX = new QDoubleSpinBox(statgen); - statgen_doubleSpinBox_cellX->setObjectName(QString::fromUtf8("statgen_doubleSpinBox_cellX")); - QSizePolicy sizePolicy(QSizePolicy::Expanding, QSizePolicy::Fixed); - sizePolicy.setHorizontalStretch(0); - sizePolicy.setVerticalStretch(0); - sizePolicy.setHeightForWidth(statgen_doubleSpinBox_cellX->sizePolicy().hasHeightForWidth()); - statgen_doubleSpinBox_cellX->setSizePolicy(sizePolicy); - statgen_doubleSpinBox_cellX->setMinimumSize(QSize(55, 23)); - statgen_doubleSpinBox_cellX->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - statgen_doubleSpinBox_cellX->setDecimals(4); - statgen_doubleSpinBox_cellX->setMinimum(0.1); - statgen_doubleSpinBox_cellX->setMaximum(999.99); - - statgen_layout_cell->addWidget(statgen_doubleSpinBox_cellX); - - statgen_label_cellY = new QLabel(statgen); - statgen_label_cellY->setObjectName(QString::fromUtf8("statgen_label_cellY")); - statgen_label_cellY->setMinimumSize(QSize(50, 23)); - - statgen_layout_cell->addWidget(statgen_label_cellY); - - statgen_doubleSpinBox_cellY = new QDoubleSpinBox(statgen); - statgen_doubleSpinBox_cellY->setObjectName(QString::fromUtf8("statgen_doubleSpinBox_cellY")); - sizePolicy.setHeightForWidth(statgen_doubleSpinBox_cellY->sizePolicy().hasHeightForWidth()); - statgen_doubleSpinBox_cellY->setSizePolicy(sizePolicy); - statgen_doubleSpinBox_cellY->setMinimumSize(QSize(55, 23)); - statgen_doubleSpinBox_cellY->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - statgen_doubleSpinBox_cellY->setDecimals(4); - statgen_doubleSpinBox_cellY->setMinimum(0.1); - statgen_doubleSpinBox_cellY->setMaximum(999.99); - - statgen_layout_cell->addWidget(statgen_doubleSpinBox_cellY); - - statgen_label_cellZ = new QLabel(statgen); - statgen_label_cellZ->setObjectName(QString::fromUtf8("statgen_label_cellZ")); - statgen_label_cellZ->setMinimumSize(QSize(50, 23)); - - statgen_layout_cell->addWidget(statgen_label_cellZ); - - statgen_doubleSpinBox_cellZ = new QDoubleSpinBox(statgen); - statgen_doubleSpinBox_cellZ->setObjectName(QString::fromUtf8("statgen_doubleSpinBox_cellZ")); - sizePolicy.setHeightForWidth(statgen_doubleSpinBox_cellZ->sizePolicy().hasHeightForWidth()); - statgen_doubleSpinBox_cellZ->setSizePolicy(sizePolicy); - statgen_doubleSpinBox_cellZ->setMinimumSize(QSize(55, 23)); - statgen_doubleSpinBox_cellZ->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - statgen_doubleSpinBox_cellZ->setDecimals(4); - statgen_doubleSpinBox_cellZ->setMinimum(0.1); - statgen_doubleSpinBox_cellZ->setMaximum(999.99); - - statgen_layout_cell->addWidget(statgen_doubleSpinBox_cellZ); - - - verticalLayout_2->addLayout(statgen_layout_cell); - - statgen_layout_atoms = new QHBoxLayout(); - statgen_layout_atoms->setSpacing(6); - statgen_layout_atoms->setObjectName(QString::fromUtf8("statgen_layout_atoms")); - statgen_label_atoms0 = new QLabel(statgen); - statgen_label_atoms0->setObjectName(QString::fromUtf8("statgen_label_atoms0")); - QSizePolicy sizePolicy1(QSizePolicy::Minimum, QSizePolicy::Fixed); - sizePolicy1.setHorizontalStretch(0); - sizePolicy1.setVerticalStretch(0); - sizePolicy1.setHeightForWidth(statgen_label_atoms0->sizePolicy().hasHeightForWidth()); - statgen_label_atoms0->setSizePolicy(sizePolicy1); - statgen_label_atoms0->setMinimumSize(QSize(45, 23)); - - statgen_layout_atoms->addWidget(statgen_label_atoms0); - - statgen_spinBox_atoms0 = new QSpinBox(statgen); - statgen_spinBox_atoms0->setObjectName(QString::fromUtf8("statgen_spinBox_atoms0")); - sizePolicy.setHeightForWidth(statgen_spinBox_atoms0->sizePolicy().hasHeightForWidth()); - statgen_spinBox_atoms0->setSizePolicy(sizePolicy); - statgen_spinBox_atoms0->setMinimumSize(QSize(50, 23)); - statgen_spinBox_atoms0->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - - statgen_layout_atoms->addWidget(statgen_spinBox_atoms0); - - statgen_checkBox_atoms1 = new QCheckBox(statgen); - statgen_checkBox_atoms1->setObjectName(QString::fromUtf8("statgen_checkBox_atoms1")); - statgen_checkBox_atoms1->setMinimumSize(QSize(65, 23)); - - statgen_layout_atoms->addWidget(statgen_checkBox_atoms1); - - statgen_spinBox_atoms1 = new QSpinBox(statgen); - statgen_spinBox_atoms1->setObjectName(QString::fromUtf8("statgen_spinBox_atoms1")); - statgen_spinBox_atoms1->setEnabled(false); - sizePolicy.setHeightForWidth(statgen_spinBox_atoms1->sizePolicy().hasHeightForWidth()); - statgen_spinBox_atoms1->setSizePolicy(sizePolicy); - statgen_spinBox_atoms1->setMinimumSize(QSize(50, 23)); - statgen_spinBox_atoms1->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - - statgen_layout_atoms->addWidget(statgen_spinBox_atoms1); - - statgen_checkBox_atoms2 = new QCheckBox(statgen); - statgen_checkBox_atoms2->setObjectName(QString::fromUtf8("statgen_checkBox_atoms2")); - statgen_checkBox_atoms2->setEnabled(false); - statgen_checkBox_atoms2->setMinimumSize(QSize(65, 23)); - - statgen_layout_atoms->addWidget(statgen_checkBox_atoms2); - - statgen_spinBox_atoms2 = new QSpinBox(statgen); - statgen_spinBox_atoms2->setObjectName(QString::fromUtf8("statgen_spinBox_atoms2")); - statgen_spinBox_atoms2->setEnabled(false); - sizePolicy.setHeightForWidth(statgen_spinBox_atoms2->sizePolicy().hasHeightForWidth()); - statgen_spinBox_atoms2->setSizePolicy(sizePolicy); - statgen_spinBox_atoms2->setMinimumSize(QSize(50, 23)); - statgen_spinBox_atoms2->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - - statgen_layout_atoms->addWidget(statgen_spinBox_atoms2); - - statgen_checkBox_atoms3 = new QCheckBox(statgen); - statgen_checkBox_atoms3->setObjectName(QString::fromUtf8("statgen_checkBox_atoms3")); - statgen_checkBox_atoms3->setEnabled(false); - statgen_checkBox_atoms3->setMinimumSize(QSize(65, 23)); - - statgen_layout_atoms->addWidget(statgen_checkBox_atoms3); - - statgen_spinBox_atoms3 = new QSpinBox(statgen); - statgen_spinBox_atoms3->setObjectName(QString::fromUtf8("statgen_spinBox_atoms3")); - statgen_spinBox_atoms3->setEnabled(false); - sizePolicy.setHeightForWidth(statgen_spinBox_atoms3->sizePolicy().hasHeightForWidth()); - statgen_spinBox_atoms3->setSizePolicy(sizePolicy); - statgen_spinBox_atoms3->setMinimumSize(QSize(50, 23)); - statgen_spinBox_atoms3->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - - statgen_layout_atoms->addWidget(statgen_spinBox_atoms3); - - - verticalLayout_2->addLayout(statgen_layout_atoms); - - statgen_layout_int = new QHBoxLayout(); - statgen_layout_int->setSpacing(6); - statgen_layout_int->setObjectName(QString::fromUtf8("statgen_layout_int")); - statgen_label_int = new QLabel(statgen); - statgen_label_int->setObjectName(QString::fromUtf8("statgen_label_int")); - statgen_label_int->setMinimumSize(QSize(110, 23)); - - statgen_layout_int->addWidget(statgen_label_int); - - statgen_comboBox_int = new QComboBox(statgen); - statgen_comboBox_int->setObjectName(QString::fromUtf8("statgen_comboBox_int")); - sizePolicy.setHeightForWidth(statgen_comboBox_int->sizePolicy().hasHeightForWidth()); - statgen_comboBox_int->setSizePolicy(sizePolicy); - statgen_comboBox_int->setMinimumSize(QSize(90, 23)); - - statgen_layout_int->addWidget(statgen_comboBox_int); - - statgen_doubleSpinBox_int = new QDoubleSpinBox(statgen); - statgen_doubleSpinBox_int->setObjectName(QString::fromUtf8("statgen_doubleSpinBox_int")); - sizePolicy.setHeightForWidth(statgen_doubleSpinBox_int->sizePolicy().hasHeightForWidth()); - statgen_doubleSpinBox_int->setSizePolicy(sizePolicy); - statgen_doubleSpinBox_int->setMinimumSize(QSize(90, 23)); - statgen_doubleSpinBox_int->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - statgen_doubleSpinBox_int->setDecimals(3); - statgen_doubleSpinBox_int->setMinimum(0); - statgen_doubleSpinBox_int->setValue(0); - - statgen_layout_int->addWidget(statgen_doubleSpinBox_int); - - stagen_pushButton_intSave = new QPushButton(statgen); - stagen_pushButton_intSave->setObjectName(QString::fromUtf8("stagen_pushButton_intSave")); - stagen_pushButton_intSave->setMinimumSize(QSize(80, 23)); - stagen_pushButton_intSave->setAutoDefault(true); - - statgen_layout_int->addWidget(stagen_pushButton_intSave); - - statgen_pushButton_intAdd = new QPushButton(statgen); - statgen_pushButton_intAdd->setObjectName(QString::fromUtf8("statgen_pushButton_intAdd")); - statgen_pushButton_intAdd->setMinimumSize(QSize(80, 23)); - statgen_pushButton_intAdd->setAutoDefault(true); - - statgen_layout_int->addWidget(statgen_pushButton_intAdd); - - - verticalLayout_2->addLayout(statgen_layout_int); - - statgen_listWidget_int = new QListWidget(statgen); - statgen_listWidget_int->setObjectName(QString::fromUtf8("statgen_listWidget_int")); - statgen_listWidget_int->setMinimumSize(QSize(484, 85)); - statgen_listWidget_int->setEditTriggers(QAbstractItemView::NoEditTriggers); - - verticalLayout_2->addWidget(statgen_listWidget_int); - - stagen_layout_intRem = new QHBoxLayout(); - stagen_layout_intRem->setSpacing(6); - stagen_layout_intRem->setObjectName(QString::fromUtf8("stagen_layout_intRem")); - horizontalSpacer_5 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - stagen_layout_intRem->addItem(horizontalSpacer_5); - - stagen_pushButton_intRem = new QPushButton(statgen); - stagen_pushButton_intRem->setObjectName(QString::fromUtf8("stagen_pushButton_intRem")); - stagen_pushButton_intRem->setMinimumSize(QSize(80, 23)); - stagen_pushButton_intRem->setAutoDefault(true); - - stagen_layout_intRem->addWidget(stagen_pushButton_intRem); - - - verticalLayout_2->addLayout(stagen_layout_intRem); - - statgen_layout_output = new QHBoxLayout(); - statgen_layout_output->setSpacing(6); - statgen_layout_output->setObjectName(QString::fromUtf8("statgen_layout_output")); - statgen_label_output = new QLabel(statgen); - statgen_label_output->setObjectName(QString::fromUtf8("statgen_label_output")); - statgen_label_output->setMinimumSize(QSize(110, 23)); - - statgen_layout_output->addWidget(statgen_label_output); - - statgen_lineEdit_output = new QLineEdit(statgen); - statgen_lineEdit_output->setObjectName(QString::fromUtf8("statgen_lineEdit_output")); - statgen_lineEdit_output->setMinimumSize(QSize(280, 23)); - - statgen_layout_output->addWidget(statgen_lineEdit_output); - - statgen_pushButton_output = new QPushButton(statgen); - statgen_pushButton_output->setObjectName(QString::fromUtf8("statgen_pushButton_output")); - statgen_pushButton_output->setMinimumSize(QSize(80, 23)); - statgen_pushButton_output->setAutoDefault(true); - - statgen_layout_output->addWidget(statgen_pushButton_output); - - - verticalLayout_2->addLayout(statgen_layout_output); - - statgen_layout_opt = new QHBoxLayout(); - statgen_layout_opt->setSpacing(6); - statgen_layout_opt->setObjectName(QString::fromUtf8("statgen_layout_opt")); - statgen_checkBox_depth = new QCheckBox(statgen); - statgen_checkBox_depth->setObjectName(QString::fromUtf8("statgen_checkBox_depth")); - statgen_checkBox_depth->setMinimumSize(QSize(110, 23)); - statgen_checkBox_depth->setChecked(true); - - statgen_layout_opt->addWidget(statgen_checkBox_depth); - - statgen_spinBox_depth = new QSpinBox(statgen); - statgen_spinBox_depth->setObjectName(QString::fromUtf8("statgen_spinBox_depth")); - statgen_spinBox_depth->setMinimumSize(QSize(80, 23)); - statgen_spinBox_depth->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - statgen_spinBox_depth->setMinimum(3); - statgen_spinBox_depth->setMaximum(1000); - statgen_spinBox_depth->setValue(10); - - statgen_layout_opt->addWidget(statgen_spinBox_depth); - - statgen_checkBox_log = new QCheckBox(statgen); - statgen_checkBox_log->setObjectName(QString::fromUtf8("statgen_checkBox_log")); - statgen_checkBox_log->setMinimumSize(QSize(110, 23)); - statgen_checkBox_log->setChecked(true); - - statgen_layout_opt->addWidget(statgen_checkBox_log); - - statgen_lineEdit_log = new QLineEdit(statgen); - statgen_lineEdit_log->setObjectName(QString::fromUtf8("statgen_lineEdit_log")); - statgen_lineEdit_log->setMinimumSize(QSize(80, 23)); - - statgen_layout_opt->addWidget(statgen_lineEdit_log); - - statgen_pushButton_log = new QPushButton(statgen); - statgen_pushButton_log->setObjectName(QString::fromUtf8("statgen_pushButton_log")); - statgen_pushButton_log->setMinimumSize(QSize(80, 23)); - statgen_pushButton_log->setAutoDefault(true); - - statgen_layout_opt->addWidget(statgen_pushButton_log); - - - verticalLayout_2->addLayout(statgen_layout_opt); - - statgen_layout_buttons = new QHBoxLayout(); - statgen_layout_buttons->setSpacing(6); - statgen_layout_buttons->setObjectName(QString::fromUtf8("statgen_layout_buttons")); - statgen_pushButton_clear = new QPushButton(statgen); - statgen_pushButton_clear->setObjectName(QString::fromUtf8("statgen_pushButton_clear")); - statgen_pushButton_clear->setMinimumSize(QSize(80, 23)); - statgen_pushButton_clear->setAutoDefault(true); - - statgen_layout_buttons->addWidget(statgen_pushButton_clear); - - horizontalSpacer_3 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - statgen_layout_buttons->addItem(horizontalSpacer_3); - - statgen_pushButton_start = new QPushButton(statgen); - statgen_pushButton_start->setObjectName(QString::fromUtf8("statgen_pushButton_start")); - statgen_pushButton_start->setMinimumSize(QSize(80, 23)); - statgen_pushButton_start->setMaximumSize(QSize(16777215, 16777215)); - statgen_pushButton_start->setAutoDefault(true); - - statgen_layout_buttons->addWidget(statgen_pushButton_start); - - - verticalLayout_2->addLayout(statgen_layout_buttons); - - tabWidget->addTab(statgen, QString()); - envir = new QWidget(); - envir->setObjectName(QString::fromUtf8("envir")); - verticalLayout_3 = new QVBoxLayout(envir); - verticalLayout_3->setSpacing(6); - verticalLayout_3->setContentsMargins(11, 11, 11, 11); - verticalLayout_3->setObjectName(QString::fromUtf8("verticalLayout_3")); - envir_layout_workDir = new QHBoxLayout(); - envir_layout_workDir->setSpacing(6); - envir_layout_workDir->setObjectName(QString::fromUtf8("envir_layout_workDir")); - envir_label_workDir = new QLabel(envir); - envir_label_workDir->setObjectName(QString::fromUtf8("envir_label_workDir")); - envir_label_workDir->setMinimumSize(QSize(110, 23)); - - envir_layout_workDir->addWidget(envir_label_workDir); - - envir_lineEdit_workDir = new QLineEdit(envir); - envir_lineEdit_workDir->setObjectName(QString::fromUtf8("envir_lineEdit_workDir")); - envir_lineEdit_workDir->setMinimumSize(QSize(280, 23)); - - envir_layout_workDir->addWidget(envir_lineEdit_workDir); - - envir_pushButton_workDir = new QPushButton(envir); - envir_pushButton_workDir->setObjectName(QString::fromUtf8("envir_pushButton_workDir")); - envir_pushButton_workDir->setMinimumSize(QSize(80, 23)); - envir_pushButton_workDir->setAutoDefault(true); - - envir_layout_workDir->addWidget(envir_pushButton_workDir); - - - verticalLayout_3->addLayout(envir_layout_workDir); - - envir_layout_input = new QHBoxLayout(); - envir_layout_input->setSpacing(6); - envir_layout_input->setObjectName(QString::fromUtf8("envir_layout_input")); - envir_label_input = new QLabel(envir); - envir_label_input->setObjectName(QString::fromUtf8("envir_label_input")); - envir_label_input->setMinimumSize(QSize(110, 23)); - - envir_layout_input->addWidget(envir_label_input); - - envir_lineEdit_input = new QLineEdit(envir); - envir_lineEdit_input->setObjectName(QString::fromUtf8("envir_lineEdit_input")); - envir_lineEdit_input->setMinimumSize(QSize(280, 23)); - - envir_layout_input->addWidget(envir_lineEdit_input); - - envir_pushButton_input = new QPushButton(envir); - envir_pushButton_input->setObjectName(QString::fromUtf8("envir_pushButton_input")); - envir_pushButton_input->setMinimumSize(QSize(80, 23)); - envir_pushButton_input->setAutoDefault(true); - - envir_layout_input->addWidget(envir_pushButton_input); - - - verticalLayout_3->addLayout(envir_layout_input); - - envir_layout_cell = new QHBoxLayout(); - envir_layout_cell->setSpacing(6); - envir_layout_cell->setObjectName(QString::fromUtf8("envir_layout_cell")); - envir_label_cell = new QLabel(envir); - envir_label_cell->setObjectName(QString::fromUtf8("envir_label_cell")); - envir_label_cell->setMinimumSize(QSize(110, 23)); - - envir_layout_cell->addWidget(envir_label_cell); - - envir_label_cellX = new QLabel(envir); - envir_label_cellX->setObjectName(QString::fromUtf8("envir_label_cellX")); - envir_label_cellX->setMinimumSize(QSize(50, 23)); - - envir_layout_cell->addWidget(envir_label_cellX); - - envir_doubleSpinBox_cellX = new QDoubleSpinBox(envir); - envir_doubleSpinBox_cellX->setObjectName(QString::fromUtf8("envir_doubleSpinBox_cellX")); - sizePolicy.setHeightForWidth(envir_doubleSpinBox_cellX->sizePolicy().hasHeightForWidth()); - envir_doubleSpinBox_cellX->setSizePolicy(sizePolicy); - envir_doubleSpinBox_cellX->setMinimumSize(QSize(55, 23)); - envir_doubleSpinBox_cellX->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - envir_doubleSpinBox_cellX->setDecimals(4); - envir_doubleSpinBox_cellX->setMinimum(0.1); - envir_doubleSpinBox_cellX->setMaximum(999.99); - - envir_layout_cell->addWidget(envir_doubleSpinBox_cellX); - - envir_label_cellY = new QLabel(envir); - envir_label_cellY->setObjectName(QString::fromUtf8("envir_label_cellY")); - envir_label_cellY->setMinimumSize(QSize(50, 23)); - - envir_layout_cell->addWidget(envir_label_cellY); - - envir_doubleSpinBox_cellY = new QDoubleSpinBox(envir); - envir_doubleSpinBox_cellY->setObjectName(QString::fromUtf8("envir_doubleSpinBox_cellY")); - sizePolicy.setHeightForWidth(envir_doubleSpinBox_cellY->sizePolicy().hasHeightForWidth()); - envir_doubleSpinBox_cellY->setSizePolicy(sizePolicy); - envir_doubleSpinBox_cellY->setMinimumSize(QSize(55, 23)); - envir_doubleSpinBox_cellY->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - envir_doubleSpinBox_cellY->setDecimals(4); - envir_doubleSpinBox_cellY->setMinimum(0.1); - envir_doubleSpinBox_cellY->setMaximum(999.99); - - envir_layout_cell->addWidget(envir_doubleSpinBox_cellY); - - envir_label_cellZ = new QLabel(envir); - envir_label_cellZ->setObjectName(QString::fromUtf8("envir_label_cellZ")); - envir_label_cellZ->setMinimumSize(QSize(50, 23)); - - envir_layout_cell->addWidget(envir_label_cellZ); - - envir_doubleSpinBox_cellZ = new QDoubleSpinBox(envir); - envir_doubleSpinBox_cellZ->setObjectName(QString::fromUtf8("envir_doubleSpinBox_cellZ")); - sizePolicy.setHeightForWidth(envir_doubleSpinBox_cellZ->sizePolicy().hasHeightForWidth()); - envir_doubleSpinBox_cellZ->setSizePolicy(sizePolicy); - envir_doubleSpinBox_cellZ->setMinimumSize(QSize(55, 23)); - envir_doubleSpinBox_cellZ->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - envir_doubleSpinBox_cellZ->setDecimals(4); - envir_doubleSpinBox_cellZ->setMinimum(0.1); - envir_doubleSpinBox_cellZ->setMaximum(999.99); - - envir_layout_cell->addWidget(envir_doubleSpinBox_cellZ); - - - verticalLayout_3->addLayout(envir_layout_cell); - - envir_layout_output = new QHBoxLayout(); - envir_layout_output->setSpacing(6); - envir_layout_output->setObjectName(QString::fromUtf8("envir_layout_output")); - envir_label_output = new QLabel(envir); - envir_label_output->setObjectName(QString::fromUtf8("envir_label_output")); - envir_label_output->setMinimumSize(QSize(110, 23)); - - envir_layout_output->addWidget(envir_label_output); - - envir_lineEdit_output = new QLineEdit(envir); - envir_lineEdit_output->setObjectName(QString::fromUtf8("envir_lineEdit_output")); - envir_lineEdit_output->setMinimumSize(QSize(280, 23)); - - envir_layout_output->addWidget(envir_lineEdit_output); - - envir_pushButton_output = new QPushButton(envir); - envir_pushButton_output->setObjectName(QString::fromUtf8("envir_pushButton_output")); - envir_pushButton_output->setMinimumSize(QSize(80, 23)); - envir_pushButton_output->setAutoDefault(true); - - envir_layout_output->addWidget(envir_pushButton_output); - - - verticalLayout_3->addLayout(envir_layout_output); - - envir_layout_opt_1 = new QHBoxLayout(); - envir_layout_opt_1->setSpacing(6); - envir_layout_opt_1->setObjectName(QString::fromUtf8("envir_layout_opt_1")); - envir_label_molecule = new QLabel(envir); - envir_label_molecule->setObjectName(QString::fromUtf8("envir_label_molecule")); - envir_label_molecule->setMinimumSize(QSize(110, 23)); - - envir_layout_opt_1->addWidget(envir_label_molecule); - - envir_spinBox_molecule = new QSpinBox(envir); - envir_spinBox_molecule->setObjectName(QString::fromUtf8("envir_spinBox_molecule")); - envir_spinBox_molecule->setMinimumSize(QSize(75, 23)); - envir_spinBox_molecule->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - envir_spinBox_molecule->setMinimum(1); - envir_spinBox_molecule->setMaximum(9999); - - envir_layout_opt_1->addWidget(envir_spinBox_molecule); - - horizontalSpacer_8 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - envir_layout_opt_1->addItem(horizontalSpacer_8); - - envir_label_radius = new QLabel(envir); - envir_label_radius->setObjectName(QString::fromUtf8("envir_label_radius")); - envir_label_radius->setMinimumSize(QSize(110, 23)); - - envir_layout_opt_1->addWidget(envir_label_radius); - - envir_doubleSpinBox_radius = new QDoubleSpinBox(envir); - envir_doubleSpinBox_radius->setObjectName(QString::fromUtf8("envir_doubleSpinBox_radius")); - envir_doubleSpinBox_radius->setMinimumSize(QSize(75, 23)); - envir_doubleSpinBox_radius->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - envir_doubleSpinBox_radius->setDecimals(3); - - envir_layout_opt_1->addWidget(envir_doubleSpinBox_radius); - - horizontalSpacer_9 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - envir_layout_opt_1->addItem(horizontalSpacer_9); - - - verticalLayout_3->addLayout(envir_layout_opt_1); - - envir_layout_opt_2 = new QHBoxLayout(); - envir_layout_opt_2->setSpacing(6); - envir_layout_opt_2->setObjectName(QString::fromUtf8("envir_layout_opt_2")); - envir_checkBox_log = new QCheckBox(envir); - envir_checkBox_log->setObjectName(QString::fromUtf8("envir_checkBox_log")); - envir_checkBox_log->setMinimumSize(QSize(110, 23)); - envir_checkBox_log->setChecked(true); - - envir_layout_opt_2->addWidget(envir_checkBox_log); - - envir_lineEdit_log = new QLineEdit(envir); - envir_lineEdit_log->setObjectName(QString::fromUtf8("envir_lineEdit_log")); - envir_lineEdit_log->setMinimumSize(QSize(173, 23)); - - envir_layout_opt_2->addWidget(envir_lineEdit_log); - - envir_pushButton_log = new QPushButton(envir); - envir_pushButton_log->setObjectName(QString::fromUtf8("envir_pushButton_log")); - envir_pushButton_log->setMinimumSize(QSize(80, 23)); - envir_pushButton_log->setAutoDefault(true); - - envir_layout_opt_2->addWidget(envir_pushButton_log); - - - verticalLayout_3->addLayout(envir_layout_opt_2); - - verticalSpacer_2 = new QSpacerItem(20, 177, QSizePolicy::Minimum, QSizePolicy::Expanding); - - verticalLayout_3->addItem(verticalSpacer_2); - - envir_layout_buttons = new QHBoxLayout(); - envir_layout_buttons->setSpacing(6); - envir_layout_buttons->setObjectName(QString::fromUtf8("envir_layout_buttons")); - envir_pushButton_clear = new QPushButton(envir); - envir_pushButton_clear->setObjectName(QString::fromUtf8("envir_pushButton_clear")); - envir_pushButton_clear->setMinimumSize(QSize(80, 23)); - envir_pushButton_clear->setAutoDefault(true); - - envir_layout_buttons->addWidget(envir_pushButton_clear); - - horizontalSpacer_10 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - envir_layout_buttons->addItem(horizontalSpacer_10); - - envir_pushButton_start = new QPushButton(envir); - envir_pushButton_start->setObjectName(QString::fromUtf8("envir_pushButton_start")); - envir_pushButton_start->setMinimumSize(QSize(80, 23)); - envir_pushButton_start->setMaximumSize(QSize(16777215, 16777215)); - envir_pushButton_start->setAutoDefault(true); - - envir_layout_buttons->addWidget(envir_pushButton_start); - - - verticalLayout_3->addLayout(envir_layout_buttons); - - tabWidget->addTab(envir, QString()); - radf = new QWidget(); - radf->setObjectName(QString::fromUtf8("radf")); - verticalLayout_4 = new QVBoxLayout(radf); - verticalLayout_4->setSpacing(6); - verticalLayout_4->setContentsMargins(11, 11, 11, 11); - verticalLayout_4->setObjectName(QString::fromUtf8("verticalLayout_4")); - radf_layout_workDir = new QHBoxLayout(); - radf_layout_workDir->setSpacing(6); - radf_layout_workDir->setObjectName(QString::fromUtf8("radf_layout_workDir")); - radf_label_workDir = new QLabel(radf); - radf_label_workDir->setObjectName(QString::fromUtf8("radf_label_workDir")); - radf_label_workDir->setMinimumSize(QSize(110, 23)); - - radf_layout_workDir->addWidget(radf_label_workDir); - - radf_lineEdit_workDir = new QLineEdit(radf); - radf_lineEdit_workDir->setObjectName(QString::fromUtf8("radf_lineEdit_workDir")); - radf_lineEdit_workDir->setMinimumSize(QSize(280, 23)); - - radf_layout_workDir->addWidget(radf_lineEdit_workDir); - - radf_pushButton_workDir = new QPushButton(radf); - radf_pushButton_workDir->setObjectName(QString::fromUtf8("radf_pushButton_workDir")); - radf_pushButton_workDir->setMinimumSize(QSize(80, 23)); - radf_pushButton_workDir->setAutoDefault(true); - - radf_layout_workDir->addWidget(radf_pushButton_workDir); - - - verticalLayout_4->addLayout(radf_layout_workDir); - - radf_layout_input = new QHBoxLayout(); - radf_layout_input->setSpacing(6); - radf_layout_input->setObjectName(QString::fromUtf8("radf_layout_input")); - radf_label_input = new QLabel(radf); - radf_label_input->setObjectName(QString::fromUtf8("radf_label_input")); - radf_label_input->setMinimumSize(QSize(110, 23)); - - radf_layout_input->addWidget(radf_label_input); - - radf_lineEdit_input = new QLineEdit(radf); - radf_lineEdit_input->setObjectName(QString::fromUtf8("radf_lineEdit_input")); - radf_lineEdit_input->setMinimumSize(QSize(280, 23)); - - radf_layout_input->addWidget(radf_lineEdit_input); - - - verticalLayout_4->addLayout(radf_layout_input); - - radf_layout_steps = new QHBoxLayout(); - radf_layout_steps->setSpacing(6); - radf_layout_steps->setObjectName(QString::fromUtf8("radf_layout_steps")); - radf_label_steps = new QLabel(radf); - radf_label_steps->setObjectName(QString::fromUtf8("radf_label_steps")); - radf_label_steps->setMinimumSize(QSize(110, 23)); - - radf_layout_steps->addWidget(radf_label_steps); - - radf_label_stepsFirst = new QLabel(radf); - radf_label_stepsFirst->setObjectName(QString::fromUtf8("radf_label_stepsFirst")); - radf_label_stepsFirst->setMinimumSize(QSize(75, 23)); - - radf_layout_steps->addWidget(radf_label_stepsFirst); - - radf_spinBox_stepsFirst = new QSpinBox(radf); - radf_spinBox_stepsFirst->setObjectName(QString::fromUtf8("radf_spinBox_stepsFirst")); - radf_spinBox_stepsFirst->setMinimumSize(QSize(75, 23)); - radf_spinBox_stepsFirst->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - radf_spinBox_stepsFirst->setMinimum(1); - radf_spinBox_stepsFirst->setMaximum(999); - - radf_layout_steps->addWidget(radf_spinBox_stepsFirst); - - horizontalSpacer_11 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - radf_layout_steps->addItem(horizontalSpacer_11); - - radf_label_stepsLast = new QLabel(radf); - radf_label_stepsLast->setObjectName(QString::fromUtf8("radf_label_stepsLast")); - radf_label_stepsLast->setMinimumSize(QSize(75, 23)); - - radf_layout_steps->addWidget(radf_label_stepsLast); - - radf_spinBox_stepsLast = new QSpinBox(radf); - radf_spinBox_stepsLast->setObjectName(QString::fromUtf8("radf_spinBox_stepsLast")); - radf_spinBox_stepsLast->setMinimumSize(QSize(75, 23)); - radf_spinBox_stepsLast->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - radf_spinBox_stepsLast->setMinimum(1); - radf_spinBox_stepsLast->setMaximum(999); - - radf_layout_steps->addWidget(radf_spinBox_stepsLast); - - horizontalSpacer_12 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - radf_layout_steps->addItem(horizontalSpacer_12); - - - verticalLayout_4->addLayout(radf_layout_steps); - - radf_layout_cell = new QHBoxLayout(); - radf_layout_cell->setSpacing(6); - radf_layout_cell->setObjectName(QString::fromUtf8("radf_layout_cell")); - radf_label_cell = new QLabel(radf); - radf_label_cell->setObjectName(QString::fromUtf8("radf_label_cell")); - radf_label_cell->setMinimumSize(QSize(110, 23)); - - radf_layout_cell->addWidget(radf_label_cell); - - radf_label_cellX = new QLabel(radf); - radf_label_cellX->setObjectName(QString::fromUtf8("radf_label_cellX")); - radf_label_cellX->setMinimumSize(QSize(50, 23)); - - radf_layout_cell->addWidget(radf_label_cellX); - - radf_doubleSpinBox_cellX = new QDoubleSpinBox(radf); - radf_doubleSpinBox_cellX->setObjectName(QString::fromUtf8("radf_doubleSpinBox_cellX")); - sizePolicy.setHeightForWidth(radf_doubleSpinBox_cellX->sizePolicy().hasHeightForWidth()); - radf_doubleSpinBox_cellX->setSizePolicy(sizePolicy); - radf_doubleSpinBox_cellX->setMinimumSize(QSize(55, 23)); - radf_doubleSpinBox_cellX->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - radf_doubleSpinBox_cellX->setDecimals(4); - radf_doubleSpinBox_cellX->setMinimum(0.1); - radf_doubleSpinBox_cellX->setMaximum(999.99); - - radf_layout_cell->addWidget(radf_doubleSpinBox_cellX); - - radf_label_cellY = new QLabel(radf); - radf_label_cellY->setObjectName(QString::fromUtf8("radf_label_cellY")); - radf_label_cellY->setMinimumSize(QSize(50, 23)); - - radf_layout_cell->addWidget(radf_label_cellY); - - radf_doubleSpinBox_cellY = new QDoubleSpinBox(radf); - radf_doubleSpinBox_cellY->setObjectName(QString::fromUtf8("radf_doubleSpinBox_cellY")); - sizePolicy.setHeightForWidth(radf_doubleSpinBox_cellY->sizePolicy().hasHeightForWidth()); - radf_doubleSpinBox_cellY->setSizePolicy(sizePolicy); - radf_doubleSpinBox_cellY->setMinimumSize(QSize(55, 23)); - radf_doubleSpinBox_cellY->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - radf_doubleSpinBox_cellY->setDecimals(4); - radf_doubleSpinBox_cellY->setMinimum(0.1); - radf_doubleSpinBox_cellY->setMaximum(999.99); - - radf_layout_cell->addWidget(radf_doubleSpinBox_cellY); - - radf_label_cellZ = new QLabel(radf); - radf_label_cellZ->setObjectName(QString::fromUtf8("radf_label_cellZ")); - radf_label_cellZ->setMinimumSize(QSize(50, 23)); - - radf_layout_cell->addWidget(radf_label_cellZ); - - radf_doubleSpinBox_cellZ = new QDoubleSpinBox(radf); - radf_doubleSpinBox_cellZ->setObjectName(QString::fromUtf8("radf_doubleSpinBox_cellZ")); - sizePolicy.setHeightForWidth(radf_doubleSpinBox_cellZ->sizePolicy().hasHeightForWidth()); - radf_doubleSpinBox_cellZ->setSizePolicy(sizePolicy); - radf_doubleSpinBox_cellZ->setMinimumSize(QSize(55, 23)); - radf_doubleSpinBox_cellZ->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - radf_doubleSpinBox_cellZ->setDecimals(4); - radf_doubleSpinBox_cellZ->setMinimum(0.1); - radf_doubleSpinBox_cellZ->setMaximum(999.99); - - radf_layout_cell->addWidget(radf_doubleSpinBox_cellZ); - - - verticalLayout_4->addLayout(radf_layout_cell); - - radf_layout_output = new QHBoxLayout(); - radf_layout_output->setSpacing(6); - radf_layout_output->setObjectName(QString::fromUtf8("radf_layout_output")); - radf_label_output = new QLabel(radf); - radf_label_output->setObjectName(QString::fromUtf8("radf_label_output")); - radf_label_output->setMinimumSize(QSize(110, 23)); - - radf_layout_output->addWidget(radf_label_output); - - radf_lineEdit_output = new QLineEdit(radf); - radf_lineEdit_output->setObjectName(QString::fromUtf8("radf_lineEdit_output")); - radf_lineEdit_output->setMinimumSize(QSize(280, 23)); - - radf_layout_output->addWidget(radf_lineEdit_output); - - radf_pushButton_output = new QPushButton(radf); - radf_pushButton_output->setObjectName(QString::fromUtf8("radf_pushButton_output")); - radf_pushButton_output->setMinimumSize(QSize(80, 23)); - radf_pushButton_output->setAutoDefault(true); - - radf_layout_output->addWidget(radf_pushButton_output); - - - verticalLayout_4->addLayout(radf_layout_output); - - radf_layout_atom1 = new QHBoxLayout(); - radf_layout_atom1->setSpacing(6); - radf_layout_atom1->setObjectName(QString::fromUtf8("radf_layout_atom1")); - radf_comboBox_atom = new QComboBox(radf); - radf_comboBox_atom->setObjectName(QString::fromUtf8("radf_comboBox_atom")); - radf_comboBox_atom->setMinimumSize(QSize(150, 23)); - - radf_layout_atom1->addWidget(radf_comboBox_atom); - - radf_label_atoms0 = new QLabel(radf); - radf_label_atoms0->setObjectName(QString::fromUtf8("radf_label_atoms0")); - sizePolicy1.setHeightForWidth(radf_label_atoms0->sizePolicy().hasHeightForWidth()); - radf_label_atoms0->setSizePolicy(sizePolicy1); - radf_label_atoms0->setMinimumSize(QSize(45, 23)); - - radf_layout_atom1->addWidget(radf_label_atoms0); - - radf_spinBox_atoms0 = new QSpinBox(radf); - radf_spinBox_atoms0->setObjectName(QString::fromUtf8("radf_spinBox_atoms0")); - sizePolicy.setHeightForWidth(radf_spinBox_atoms0->sizePolicy().hasHeightForWidth()); - radf_spinBox_atoms0->setSizePolicy(sizePolicy); - radf_spinBox_atoms0->setMinimumSize(QSize(50, 23)); - radf_spinBox_atoms0->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - - radf_layout_atom1->addWidget(radf_spinBox_atoms0); - - radf_label_atoms1 = new QLabel(radf); - radf_label_atoms1->setObjectName(QString::fromUtf8("radf_label_atoms1")); - sizePolicy1.setHeightForWidth(radf_label_atoms1->sizePolicy().hasHeightForWidth()); - radf_label_atoms1->setSizePolicy(sizePolicy1); - radf_label_atoms1->setMinimumSize(QSize(45, 23)); - - radf_layout_atom1->addWidget(radf_label_atoms1); - - radf_spinBox_atoms1 = new QSpinBox(radf); - radf_spinBox_atoms1->setObjectName(QString::fromUtf8("radf_spinBox_atoms1")); - radf_spinBox_atoms1->setEnabled(false); - sizePolicy.setHeightForWidth(radf_spinBox_atoms1->sizePolicy().hasHeightForWidth()); - radf_spinBox_atoms1->setSizePolicy(sizePolicy); - radf_spinBox_atoms1->setMinimumSize(QSize(50, 23)); - radf_spinBox_atoms1->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - - radf_layout_atom1->addWidget(radf_spinBox_atoms1); - - radf_label_atoms2 = new QLabel(radf); - radf_label_atoms2->setObjectName(QString::fromUtf8("radf_label_atoms2")); - sizePolicy1.setHeightForWidth(radf_label_atoms2->sizePolicy().hasHeightForWidth()); - radf_label_atoms2->setSizePolicy(sizePolicy1); - radf_label_atoms2->setMinimumSize(QSize(45, 23)); - - radf_layout_atom1->addWidget(radf_label_atoms2); - - radf_spinBox_atoms2 = new QSpinBox(radf); - radf_spinBox_atoms2->setObjectName(QString::fromUtf8("radf_spinBox_atoms2")); - radf_spinBox_atoms2->setEnabled(false); - sizePolicy.setHeightForWidth(radf_spinBox_atoms2->sizePolicy().hasHeightForWidth()); - radf_spinBox_atoms2->setSizePolicy(sizePolicy); - radf_spinBox_atoms2->setMinimumSize(QSize(50, 23)); - radf_spinBox_atoms2->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - - radf_layout_atom1->addWidget(radf_spinBox_atoms2); - - - verticalLayout_4->addLayout(radf_layout_atom1); - - radf_layout_atom2 = new QHBoxLayout(); - radf_layout_atom2->setSpacing(6); - radf_layout_atom2->setObjectName(QString::fromUtf8("radf_layout_atom2")); - horizontalSpacer_14 = new QSpacerItem(155, 23, QSizePolicy::Fixed, QSizePolicy::Minimum); - - radf_layout_atom2->addItem(horizontalSpacer_14); - - radf_label_atoms3 = new QLabel(radf); - radf_label_atoms3->setObjectName(QString::fromUtf8("radf_label_atoms3")); - sizePolicy1.setHeightForWidth(radf_label_atoms3->sizePolicy().hasHeightForWidth()); - radf_label_atoms3->setSizePolicy(sizePolicy1); - radf_label_atoms3->setMinimumSize(QSize(45, 23)); - - radf_layout_atom2->addWidget(radf_label_atoms3); - - radf_spinBox_atoms3 = new QSpinBox(radf); - radf_spinBox_atoms3->setObjectName(QString::fromUtf8("radf_spinBox_atoms3")); - sizePolicy.setHeightForWidth(radf_spinBox_atoms3->sizePolicy().hasHeightForWidth()); - radf_spinBox_atoms3->setSizePolicy(sizePolicy); - radf_spinBox_atoms3->setMinimumSize(QSize(50, 23)); - radf_spinBox_atoms3->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - - radf_layout_atom2->addWidget(radf_spinBox_atoms3); - - radf_label_atoms4 = new QLabel(radf); - radf_label_atoms4->setObjectName(QString::fromUtf8("radf_label_atoms4")); - sizePolicy1.setHeightForWidth(radf_label_atoms4->sizePolicy().hasHeightForWidth()); - radf_label_atoms4->setSizePolicy(sizePolicy1); - radf_label_atoms4->setMinimumSize(QSize(45, 23)); - - radf_layout_atom2->addWidget(radf_label_atoms4); - - radf_spinBox_atoms4 = new QSpinBox(radf); - radf_spinBox_atoms4->setObjectName(QString::fromUtf8("radf_spinBox_atoms4")); - radf_spinBox_atoms4->setEnabled(false); - sizePolicy.setHeightForWidth(radf_spinBox_atoms4->sizePolicy().hasHeightForWidth()); - radf_spinBox_atoms4->setSizePolicy(sizePolicy); - radf_spinBox_atoms4->setMinimumSize(QSize(50, 23)); - radf_spinBox_atoms4->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - - radf_layout_atom2->addWidget(radf_spinBox_atoms4); - - radf_label_atoms5 = new QLabel(radf); - radf_label_atoms5->setObjectName(QString::fromUtf8("radf_label_atoms5")); - sizePolicy1.setHeightForWidth(radf_label_atoms5->sizePolicy().hasHeightForWidth()); - radf_label_atoms5->setSizePolicy(sizePolicy1); - radf_label_atoms5->setMinimumSize(QSize(45, 23)); - - radf_layout_atom2->addWidget(radf_label_atoms5); - - radf_spinBox_atoms5 = new QSpinBox(radf); - radf_spinBox_atoms5->setObjectName(QString::fromUtf8("radf_spinBox_atoms5")); - radf_spinBox_atoms5->setEnabled(false); - sizePolicy.setHeightForWidth(radf_spinBox_atoms5->sizePolicy().hasHeightForWidth()); - radf_spinBox_atoms5->setSizePolicy(sizePolicy); - radf_spinBox_atoms5->setMinimumSize(QSize(50, 23)); - radf_spinBox_atoms5->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - - radf_layout_atom2->addWidget(radf_spinBox_atoms5); - - - verticalLayout_4->addLayout(radf_layout_atom2); - - radf_layout_rad = new QHBoxLayout(); - radf_layout_rad->setSpacing(6); - radf_layout_rad->setObjectName(QString::fromUtf8("radf_layout_rad")); - radf_label_rad = new QLabel(radf); - radf_label_rad->setObjectName(QString::fromUtf8("radf_label_rad")); - radf_label_rad->setMinimumSize(QSize(110, 23)); - - radf_layout_rad->addWidget(radf_label_rad); - - radf_label_radMin = new QLabel(radf); - radf_label_radMin->setObjectName(QString::fromUtf8("radf_label_radMin")); - radf_label_radMin->setMinimumSize(QSize(50, 23)); - - radf_layout_rad->addWidget(radf_label_radMin); - - radf_doubleSpinBox_radMin = new QDoubleSpinBox(radf); - radf_doubleSpinBox_radMin->setObjectName(QString::fromUtf8("radf_doubleSpinBox_radMin")); - sizePolicy.setHeightForWidth(radf_doubleSpinBox_radMin->sizePolicy().hasHeightForWidth()); - radf_doubleSpinBox_radMin->setSizePolicy(sizePolicy); - radf_doubleSpinBox_radMin->setMinimumSize(QSize(55, 23)); - radf_doubleSpinBox_radMin->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - radf_doubleSpinBox_radMin->setDecimals(3); - radf_doubleSpinBox_radMin->setMinimum(0); - radf_doubleSpinBox_radMin->setMaximum(999.99); - radf_doubleSpinBox_radMin->setValue(2); - - radf_layout_rad->addWidget(radf_doubleSpinBox_radMin); - - radf_label_radMax = new QLabel(radf); - radf_label_radMax->setObjectName(QString::fromUtf8("radf_label_radMax")); - radf_label_radMax->setMinimumSize(QSize(50, 23)); - - radf_layout_rad->addWidget(radf_label_radMax); - - radf_doubleSpinBox_radMax = new QDoubleSpinBox(radf); - radf_doubleSpinBox_radMax->setObjectName(QString::fromUtf8("radf_doubleSpinBox_radMax")); - sizePolicy.setHeightForWidth(radf_doubleSpinBox_radMax->sizePolicy().hasHeightForWidth()); - radf_doubleSpinBox_radMax->setSizePolicy(sizePolicy); - radf_doubleSpinBox_radMax->setMinimumSize(QSize(55, 23)); - radf_doubleSpinBox_radMax->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - radf_doubleSpinBox_radMax->setDecimals(3); - radf_doubleSpinBox_radMax->setMinimum(0.1); - radf_doubleSpinBox_radMax->setMaximum(999.99); - radf_doubleSpinBox_radMax->setValue(15); - - radf_layout_rad->addWidget(radf_doubleSpinBox_radMax); - - radf_label_radStep = new QLabel(radf); - radf_label_radStep->setObjectName(QString::fromUtf8("radf_label_radStep")); - radf_label_radStep->setMinimumSize(QSize(50, 23)); - - radf_layout_rad->addWidget(radf_label_radStep); - - radf_doubleSpinBox_radStep = new QDoubleSpinBox(radf); - radf_doubleSpinBox_radStep->setObjectName(QString::fromUtf8("radf_doubleSpinBox_radStep")); - sizePolicy.setHeightForWidth(radf_doubleSpinBox_radStep->sizePolicy().hasHeightForWidth()); - radf_doubleSpinBox_radStep->setSizePolicy(sizePolicy); - radf_doubleSpinBox_radStep->setMinimumSize(QSize(55, 23)); - radf_doubleSpinBox_radStep->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - radf_doubleSpinBox_radStep->setDecimals(3); - radf_doubleSpinBox_radStep->setMinimum(0.001); - radf_doubleSpinBox_radStep->setMaximum(1); - radf_doubleSpinBox_radStep->setSingleStep(0.01); - radf_doubleSpinBox_radStep->setValue(0.02); - - radf_layout_rad->addWidget(radf_doubleSpinBox_radStep); - - - verticalLayout_4->addLayout(radf_layout_rad); - - radf_layout_ang = new QHBoxLayout(); - radf_layout_ang->setSpacing(6); - radf_layout_ang->setObjectName(QString::fromUtf8("radf_layout_ang")); - radf_checkBox_ang = new QCheckBox(radf); - radf_checkBox_ang->setObjectName(QString::fromUtf8("radf_checkBox_ang")); - radf_checkBox_ang->setMinimumSize(QSize(110, 23)); - - radf_layout_ang->addWidget(radf_checkBox_ang); - - radf_label_angMin = new QLabel(radf); - radf_label_angMin->setObjectName(QString::fromUtf8("radf_label_angMin")); - radf_label_angMin->setMinimumSize(QSize(50, 23)); - - radf_layout_ang->addWidget(radf_label_angMin); - - radf_doubleSpinBox_angMin = new QDoubleSpinBox(radf); - radf_doubleSpinBox_angMin->setObjectName(QString::fromUtf8("radf_doubleSpinBox_angMin")); - radf_doubleSpinBox_angMin->setEnabled(false); - sizePolicy.setHeightForWidth(radf_doubleSpinBox_angMin->sizePolicy().hasHeightForWidth()); - radf_doubleSpinBox_angMin->setSizePolicy(sizePolicy); - radf_doubleSpinBox_angMin->setMinimumSize(QSize(55, 23)); - radf_doubleSpinBox_angMin->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - radf_doubleSpinBox_angMin->setDecimals(2); - radf_doubleSpinBox_angMin->setMinimum(0); - radf_doubleSpinBox_angMin->setMaximum(90); - radf_doubleSpinBox_angMin->setSingleStep(15); - radf_doubleSpinBox_angMin->setValue(0); - - radf_layout_ang->addWidget(radf_doubleSpinBox_angMin); - - radf_label_angMax = new QLabel(radf); - radf_label_angMax->setObjectName(QString::fromUtf8("radf_label_angMax")); - radf_label_angMax->setMinimumSize(QSize(50, 23)); - - radf_layout_ang->addWidget(radf_label_angMax); - - radf_doubleSpinBox_angMax = new QDoubleSpinBox(radf); - radf_doubleSpinBox_angMax->setObjectName(QString::fromUtf8("radf_doubleSpinBox_angMax")); - radf_doubleSpinBox_angMax->setEnabled(false); - sizePolicy.setHeightForWidth(radf_doubleSpinBox_angMax->sizePolicy().hasHeightForWidth()); - radf_doubleSpinBox_angMax->setSizePolicy(sizePolicy); - radf_doubleSpinBox_angMax->setMinimumSize(QSize(55, 23)); - radf_doubleSpinBox_angMax->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - radf_doubleSpinBox_angMax->setDecimals(2); - radf_doubleSpinBox_angMax->setMinimum(0.1); - radf_doubleSpinBox_angMax->setMaximum(90); - radf_doubleSpinBox_angMax->setSingleStep(15); - radf_doubleSpinBox_angMax->setValue(90); - - radf_layout_ang->addWidget(radf_doubleSpinBox_angMax); - - radf_label_angStep = new QLabel(radf); - radf_label_angStep->setObjectName(QString::fromUtf8("radf_label_angStep")); - radf_label_angStep->setMinimumSize(QSize(50, 23)); - - radf_layout_ang->addWidget(radf_label_angStep); - - radf_doubleSpinBox_angStep = new QDoubleSpinBox(radf); - radf_doubleSpinBox_angStep->setObjectName(QString::fromUtf8("radf_doubleSpinBox_angStep")); - radf_doubleSpinBox_angStep->setEnabled(false); - sizePolicy.setHeightForWidth(radf_doubleSpinBox_angStep->sizePolicy().hasHeightForWidth()); - radf_doubleSpinBox_angStep->setSizePolicy(sizePolicy); - radf_doubleSpinBox_angStep->setMinimumSize(QSize(55, 23)); - radf_doubleSpinBox_angStep->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - radf_doubleSpinBox_angStep->setDecimals(2); - radf_doubleSpinBox_angStep->setMinimum(0.1); - radf_doubleSpinBox_angStep->setMaximum(90); - radf_doubleSpinBox_angStep->setSingleStep(15); - radf_doubleSpinBox_angStep->setValue(15); - - radf_layout_ang->addWidget(radf_doubleSpinBox_angStep); - - - verticalLayout_4->addLayout(radf_layout_ang); - - radf_layout_opt = new QHBoxLayout(); - radf_layout_opt->setSpacing(6); - radf_layout_opt->setObjectName(QString::fromUtf8("radf_layout_opt")); - radf_checkBox_matrix = new QCheckBox(radf); - radf_checkBox_matrix->setObjectName(QString::fromUtf8("radf_checkBox_matrix")); - radf_checkBox_matrix->setMinimumSize(QSize(110, 23)); - - radf_layout_opt->addWidget(radf_checkBox_matrix); - - radf_checkBox_log = new QCheckBox(radf); - radf_checkBox_log->setObjectName(QString::fromUtf8("radf_checkBox_log")); - radf_checkBox_log->setMinimumSize(QSize(110, 23)); - radf_checkBox_log->setChecked(true); - - radf_layout_opt->addWidget(radf_checkBox_log); - - radf_lineEdit_log = new QLineEdit(radf); - radf_lineEdit_log->setObjectName(QString::fromUtf8("radf_lineEdit_log")); - radf_lineEdit_log->setMinimumSize(QSize(150, 23)); - - radf_layout_opt->addWidget(radf_lineEdit_log); - - radf_pushButton_log = new QPushButton(radf); - radf_pushButton_log->setObjectName(QString::fromUtf8("radf_pushButton_log")); - radf_pushButton_log->setMinimumSize(QSize(80, 23)); - radf_pushButton_log->setAutoDefault(true); - - radf_layout_opt->addWidget(radf_pushButton_log); - - - verticalLayout_4->addLayout(radf_layout_opt); - - verticalSpacer_3 = new QSpacerItem(20, 47, QSizePolicy::Minimum, QSizePolicy::Expanding); - - verticalLayout_4->addItem(verticalSpacer_3); - - radf_layout_buttons = new QHBoxLayout(); - radf_layout_buttons->setSpacing(6); - radf_layout_buttons->setObjectName(QString::fromUtf8("radf_layout_buttons")); - radf_pushButton_clear = new QPushButton(radf); - radf_pushButton_clear->setObjectName(QString::fromUtf8("radf_pushButton_clear")); - radf_pushButton_clear->setMinimumSize(QSize(80, 23)); - radf_pushButton_clear->setAutoDefault(true); - - radf_layout_buttons->addWidget(radf_pushButton_clear); - - horizontalSpacer_13 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - radf_layout_buttons->addItem(horizontalSpacer_13); - - radf_pushButton_start = new QPushButton(radf); - radf_pushButton_start->setObjectName(QString::fromUtf8("radf_pushButton_start")); - radf_pushButton_start->setMinimumSize(QSize(80, 23)); - radf_pushButton_start->setMaximumSize(QSize(16777215, 16777215)); - radf_pushButton_start->setAutoDefault(true); - - radf_layout_buttons->addWidget(radf_pushButton_start); - - - verticalLayout_4->addLayout(radf_layout_buttons); - - tabWidget->addTab(radf, QString()); - pdb = new QWidget(); - pdb->setObjectName(QString::fromUtf8("pdb")); - verticalLayout_5 = new QVBoxLayout(pdb); - verticalLayout_5->setSpacing(6); - verticalLayout_5->setContentsMargins(11, 11, 11, 11); - verticalLayout_5->setObjectName(QString::fromUtf8("verticalLayout_5")); - pdb_comboBox_mode = new QComboBox(pdb); - pdb_comboBox_mode->setObjectName(QString::fromUtf8("pdb_comboBox_mode")); - - verticalLayout_5->addWidget(pdb_comboBox_mode); - - pdb_layout_workDir = new QHBoxLayout(); - pdb_layout_workDir->setSpacing(6); - pdb_layout_workDir->setObjectName(QString::fromUtf8("pdb_layout_workDir")); - pdb_label_workDir = new QLabel(pdb); - pdb_label_workDir->setObjectName(QString::fromUtf8("pdb_label_workDir")); - pdb_label_workDir->setMinimumSize(QSize(110, 23)); - - pdb_layout_workDir->addWidget(pdb_label_workDir); - - pdb_lineEdit_workDir = new QLineEdit(pdb); - pdb_lineEdit_workDir->setObjectName(QString::fromUtf8("pdb_lineEdit_workDir")); - pdb_lineEdit_workDir->setMinimumSize(QSize(280, 23)); - - pdb_layout_workDir->addWidget(pdb_lineEdit_workDir); - - pdb_pushButton_workDir = new QPushButton(pdb); - pdb_pushButton_workDir->setObjectName(QString::fromUtf8("pdb_pushButton_workDir")); - pdb_pushButton_workDir->setMinimumSize(QSize(80, 23)); - pdb_pushButton_workDir->setAutoDefault(true); - - pdb_layout_workDir->addWidget(pdb_pushButton_workDir); - - - verticalLayout_5->addLayout(pdb_layout_workDir); - - pdb_layout_input = new QHBoxLayout(); - pdb_layout_input->setSpacing(6); - pdb_layout_input->setObjectName(QString::fromUtf8("pdb_layout_input")); - pdb_label_input = new QLabel(pdb); - pdb_label_input->setObjectName(QString::fromUtf8("pdb_label_input")); - pdb_label_input->setMinimumSize(QSize(110, 23)); - - pdb_layout_input->addWidget(pdb_label_input); - - pdb_lineEdit_input = new QLineEdit(pdb); - pdb_lineEdit_input->setObjectName(QString::fromUtf8("pdb_lineEdit_input")); - pdb_lineEdit_input->setMinimumSize(QSize(280, 23)); - - pdb_layout_input->addWidget(pdb_lineEdit_input); - - pdb_pushButton_input = new QPushButton(pdb); - pdb_pushButton_input->setObjectName(QString::fromUtf8("pdb_pushButton_input")); - pdb_pushButton_input->setMinimumSize(QSize(80, 23)); - pdb_pushButton_input->setAutoDefault(true); - - pdb_layout_input->addWidget(pdb_pushButton_input); - - - verticalLayout_5->addLayout(pdb_layout_input); - - pdb_layout_agl = new QHBoxLayout(); - pdb_layout_agl->setSpacing(6); - pdb_layout_agl->setObjectName(QString::fromUtf8("pdb_layout_agl")); - pdb_label_agl = new QLabel(pdb); - pdb_label_agl->setObjectName(QString::fromUtf8("pdb_label_agl")); - pdb_label_agl->setMinimumSize(QSize(150, 23)); - - pdb_layout_agl->addWidget(pdb_label_agl); - - pdb_lineEdit_agl = new QLineEdit(pdb); - pdb_lineEdit_agl->setObjectName(QString::fromUtf8("pdb_lineEdit_agl")); - pdb_lineEdit_agl->setMinimumSize(QSize(280, 23)); - - pdb_layout_agl->addWidget(pdb_lineEdit_agl); - - pdb_pushButton_agl = new QPushButton(pdb); - pdb_pushButton_agl->setObjectName(QString::fromUtf8("pdb_pushButton_agl")); - pdb_pushButton_agl->setMinimumSize(QSize(80, 23)); - pdb_pushButton_agl->setAutoDefault(true); - - pdb_layout_agl->addWidget(pdb_pushButton_agl); - - - verticalLayout_5->addLayout(pdb_layout_agl); - - pdb_layout_cell = new QHBoxLayout(); - pdb_layout_cell->setSpacing(6); - pdb_layout_cell->setObjectName(QString::fromUtf8("pdb_layout_cell")); - pdb_label_cell = new QLabel(pdb); - pdb_label_cell->setObjectName(QString::fromUtf8("pdb_label_cell")); - pdb_label_cell->setMinimumSize(QSize(110, 23)); - - pdb_layout_cell->addWidget(pdb_label_cell); - - pdb_label_cellX = new QLabel(pdb); - pdb_label_cellX->setObjectName(QString::fromUtf8("pdb_label_cellX")); - pdb_label_cellX->setMinimumSize(QSize(50, 23)); - - pdb_layout_cell->addWidget(pdb_label_cellX); - - pdb_doubleSpinBox_cellX = new QDoubleSpinBox(pdb); - pdb_doubleSpinBox_cellX->setObjectName(QString::fromUtf8("pdb_doubleSpinBox_cellX")); - sizePolicy.setHeightForWidth(pdb_doubleSpinBox_cellX->sizePolicy().hasHeightForWidth()); - pdb_doubleSpinBox_cellX->setSizePolicy(sizePolicy); - pdb_doubleSpinBox_cellX->setMinimumSize(QSize(55, 23)); - pdb_doubleSpinBox_cellX->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - pdb_doubleSpinBox_cellX->setDecimals(4); - pdb_doubleSpinBox_cellX->setMinimum(0.1); - pdb_doubleSpinBox_cellX->setMaximum(999.99); - - pdb_layout_cell->addWidget(pdb_doubleSpinBox_cellX); - - pdb_label_cellY = new QLabel(pdb); - pdb_label_cellY->setObjectName(QString::fromUtf8("pdb_label_cellY")); - pdb_label_cellY->setMinimumSize(QSize(50, 23)); - - pdb_layout_cell->addWidget(pdb_label_cellY); - - pdb_doubleSpinBox_cellY = new QDoubleSpinBox(pdb); - pdb_doubleSpinBox_cellY->setObjectName(QString::fromUtf8("pdb_doubleSpinBox_cellY")); - sizePolicy.setHeightForWidth(pdb_doubleSpinBox_cellY->sizePolicy().hasHeightForWidth()); - pdb_doubleSpinBox_cellY->setSizePolicy(sizePolicy); - pdb_doubleSpinBox_cellY->setMinimumSize(QSize(55, 23)); - pdb_doubleSpinBox_cellY->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - pdb_doubleSpinBox_cellY->setDecimals(4); - pdb_doubleSpinBox_cellY->setMinimum(0.1); - pdb_doubleSpinBox_cellY->setMaximum(999.99); - - pdb_layout_cell->addWidget(pdb_doubleSpinBox_cellY); - - pdb_label_cellZ = new QLabel(pdb); - pdb_label_cellZ->setObjectName(QString::fromUtf8("pdb_label_cellZ")); - pdb_label_cellZ->setMinimumSize(QSize(50, 23)); - - pdb_layout_cell->addWidget(pdb_label_cellZ); - - pdb_doubleSpinBox_cellZ = new QDoubleSpinBox(pdb); - pdb_doubleSpinBox_cellZ->setObjectName(QString::fromUtf8("pdb_doubleSpinBox_cellZ")); - sizePolicy.setHeightForWidth(pdb_doubleSpinBox_cellZ->sizePolicy().hasHeightForWidth()); - pdb_doubleSpinBox_cellZ->setSizePolicy(sizePolicy); - pdb_doubleSpinBox_cellZ->setMinimumSize(QSize(55, 23)); - pdb_doubleSpinBox_cellZ->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter); - pdb_doubleSpinBox_cellZ->setDecimals(4); - pdb_doubleSpinBox_cellZ->setMinimum(0.1); - pdb_doubleSpinBox_cellZ->setMaximum(999.99); - - pdb_layout_cell->addWidget(pdb_doubleSpinBox_cellZ); - - - verticalLayout_5->addLayout(pdb_layout_cell); - - pdb_layout_output = new QHBoxLayout(); - pdb_layout_output->setSpacing(6); - pdb_layout_output->setObjectName(QString::fromUtf8("pdb_layout_output")); - pdb_label_output = new QLabel(pdb); - pdb_label_output->setObjectName(QString::fromUtf8("pdb_label_output")); - pdb_label_output->setMinimumSize(QSize(110, 23)); - - pdb_layout_output->addWidget(pdb_label_output); - - pdb_lineEdit_output = new QLineEdit(pdb); - pdb_lineEdit_output->setObjectName(QString::fromUtf8("pdb_lineEdit_output")); - pdb_lineEdit_output->setMinimumSize(QSize(280, 23)); - - pdb_layout_output->addWidget(pdb_lineEdit_output); - - pdb_pushButton_output = new QPushButton(pdb); - pdb_pushButton_output->setObjectName(QString::fromUtf8("pdb_pushButton_output")); - pdb_pushButton_output->setMinimumSize(QSize(80, 23)); - pdb_pushButton_output->setAutoDefault(true); - - pdb_layout_output->addWidget(pdb_pushButton_output); - - - verticalLayout_5->addLayout(pdb_layout_output); - - pdb_layout_opt = new QHBoxLayout(); - pdb_layout_opt->setSpacing(6); - pdb_layout_opt->setObjectName(QString::fromUtf8("pdb_layout_opt")); - pdb_checkBox_log = new QCheckBox(pdb); - pdb_checkBox_log->setObjectName(QString::fromUtf8("pdb_checkBox_log")); - pdb_checkBox_log->setMinimumSize(QSize(110, 23)); - pdb_checkBox_log->setChecked(true); - - pdb_layout_opt->addWidget(pdb_checkBox_log); - - pdb_lineEdit_log = new QLineEdit(pdb); - pdb_lineEdit_log->setObjectName(QString::fromUtf8("pdb_lineEdit_log")); - pdb_lineEdit_log->setMinimumSize(QSize(173, 23)); - - pdb_layout_opt->addWidget(pdb_lineEdit_log); - - pdb_pushButton_log = new QPushButton(pdb); - pdb_pushButton_log->setObjectName(QString::fromUtf8("pdb_pushButton_log")); - pdb_pushButton_log->setMinimumSize(QSize(80, 23)); - pdb_pushButton_log->setAutoDefault(true); - - pdb_layout_opt->addWidget(pdb_pushButton_log); - - - verticalLayout_5->addLayout(pdb_layout_opt); - - verticalSpacer_4 = new QSpacerItem(20, 147, QSizePolicy::Minimum, QSizePolicy::Expanding); - - verticalLayout_5->addItem(verticalSpacer_4); - - pdb_layout_buttons = new QHBoxLayout(); - pdb_layout_buttons->setSpacing(6); - pdb_layout_buttons->setObjectName(QString::fromUtf8("pdb_layout_buttons")); - pdb_pushButton_clear = new QPushButton(pdb); - pdb_pushButton_clear->setObjectName(QString::fromUtf8("pdb_pushButton_clear")); - pdb_pushButton_clear->setMinimumSize(QSize(80, 23)); - pdb_pushButton_clear->setAutoDefault(true); - - pdb_layout_buttons->addWidget(pdb_pushButton_clear); - - horizontalSpacer_15 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum); - - pdb_layout_buttons->addItem(horizontalSpacer_15); - - pdb_pushButton_start = new QPushButton(pdb); - pdb_pushButton_start->setObjectName(QString::fromUtf8("pdb_pushButton_start")); - pdb_pushButton_start->setMinimumSize(QSize(80, 23)); - pdb_pushButton_start->setMaximumSize(QSize(16777215, 16777215)); - pdb_pushButton_start->setAutoDefault(true); - - pdb_layout_buttons->addWidget(pdb_pushButton_start); - - - verticalLayout_5->addLayout(pdb_layout_buttons); - - tabWidget->addTab(pdb, QString()); - - gridLayout->addWidget(tabWidget, 0, 1, 1, 1); - - MainWindow->setCentralWidget(centralWidget); - menuBar = new QMenuBar(MainWindow); - menuBar->setObjectName(QString::fromUtf8("menuBar")); - menuBar->setGeometry(QRect(0, 0, 564, 20)); - menuMenu = new QMenu(menuBar); - menuMenu->setObjectName(QString::fromUtf8("menuMenu")); - menuHelp = new QMenu(menuBar); - menuHelp->setObjectName(QString::fromUtf8("menuHelp")); - MainWindow->setMenuBar(menuBar); - mainToolBar = new QToolBar(MainWindow); - mainToolBar->setObjectName(QString::fromUtf8("mainToolBar")); - MainWindow->addToolBar(Qt::TopToolBarArea, mainToolBar); - statusBar = new QStatusBar(MainWindow); - statusBar->setObjectName(QString::fromUtf8("statusBar")); - MainWindow->setStatusBar(statusBar); - QWidget::setTabOrder(tabWidget, trj_lineEdit_workDir); - QWidget::setTabOrder(trj_lineEdit_workDir, trj_pushButton_workDir); - QWidget::setTabOrder(trj_pushButton_workDir, trj_lineEdit_input); - QWidget::setTabOrder(trj_lineEdit_input, trj_pushButton_input); - QWidget::setTabOrder(trj_pushButton_input, trj_comboBox_type); - QWidget::setTabOrder(trj_comboBox_type, trj_spinBox_steps); - QWidget::setTabOrder(trj_spinBox_steps, trj_lineEdit_atoms); - QWidget::setTabOrder(trj_lineEdit_atoms, trj_pushButton_atoms); - QWidget::setTabOrder(trj_pushButton_atoms, trj_lineEdit_output); - QWidget::setTabOrder(trj_lineEdit_output, trj_spinBox_totalTypes); - QWidget::setTabOrder(trj_spinBox_totalTypes, trj_checkBox_log); - QWidget::setTabOrder(trj_checkBox_log, trj_lineEdit_log); - QWidget::setTabOrder(trj_lineEdit_log, trj_pushButton_log); - QWidget::setTabOrder(trj_pushButton_log, trj_pushButton_clear); - QWidget::setTabOrder(trj_pushButton_clear, trj_pushButton_start); - QWidget::setTabOrder(trj_pushButton_start, statgen_lineEdit_workDir); - QWidget::setTabOrder(statgen_lineEdit_workDir, statgen_pushButton_workDir); - QWidget::setTabOrder(statgen_pushButton_workDir, statgen_lineEdit_input); - QWidget::setTabOrder(statgen_lineEdit_input, statgen_spinBox_stepsFirst); - QWidget::setTabOrder(statgen_spinBox_stepsFirst, statgen_spinBox_stepsLast); - QWidget::setTabOrder(statgen_spinBox_stepsLast, statgen_doubleSpinBox_cellX); - QWidget::setTabOrder(statgen_doubleSpinBox_cellX, statgen_doubleSpinBox_cellY); - QWidget::setTabOrder(statgen_doubleSpinBox_cellY, statgen_doubleSpinBox_cellZ); - QWidget::setTabOrder(statgen_doubleSpinBox_cellZ, statgen_spinBox_atoms0); - QWidget::setTabOrder(statgen_spinBox_atoms0, statgen_checkBox_atoms1); - QWidget::setTabOrder(statgen_checkBox_atoms1, statgen_spinBox_atoms1); - QWidget::setTabOrder(statgen_spinBox_atoms1, statgen_checkBox_atoms2); - QWidget::setTabOrder(statgen_checkBox_atoms2, statgen_spinBox_atoms2); - QWidget::setTabOrder(statgen_spinBox_atoms2, statgen_checkBox_atoms3); - QWidget::setTabOrder(statgen_checkBox_atoms3, statgen_spinBox_atoms3); - QWidget::setTabOrder(statgen_spinBox_atoms3, statgen_comboBox_int); - QWidget::setTabOrder(statgen_comboBox_int, statgen_doubleSpinBox_int); - QWidget::setTabOrder(statgen_doubleSpinBox_int, stagen_pushButton_intSave); - QWidget::setTabOrder(stagen_pushButton_intSave, statgen_pushButton_intAdd); - QWidget::setTabOrder(statgen_pushButton_intAdd, statgen_listWidget_int); - QWidget::setTabOrder(statgen_listWidget_int, stagen_pushButton_intRem); - QWidget::setTabOrder(stagen_pushButton_intRem, statgen_lineEdit_output); - QWidget::setTabOrder(statgen_lineEdit_output, statgen_pushButton_output); - QWidget::setTabOrder(statgen_pushButton_output, statgen_checkBox_depth); - QWidget::setTabOrder(statgen_checkBox_depth, statgen_spinBox_depth); - QWidget::setTabOrder(statgen_spinBox_depth, statgen_checkBox_log); - QWidget::setTabOrder(statgen_checkBox_log, statgen_lineEdit_log); - QWidget::setTabOrder(statgen_lineEdit_log, statgen_pushButton_log); - QWidget::setTabOrder(statgen_pushButton_log, statgen_pushButton_clear); - QWidget::setTabOrder(statgen_pushButton_clear, statgen_pushButton_start); - QWidget::setTabOrder(statgen_pushButton_start, envir_lineEdit_workDir); - QWidget::setTabOrder(envir_lineEdit_workDir, envir_pushButton_workDir); - QWidget::setTabOrder(envir_pushButton_workDir, envir_lineEdit_input); - QWidget::setTabOrder(envir_lineEdit_input, envir_pushButton_input); - QWidget::setTabOrder(envir_pushButton_input, envir_doubleSpinBox_cellX); - QWidget::setTabOrder(envir_doubleSpinBox_cellX, envir_doubleSpinBox_cellY); - QWidget::setTabOrder(envir_doubleSpinBox_cellY, envir_doubleSpinBox_cellZ); - QWidget::setTabOrder(envir_doubleSpinBox_cellZ, envir_lineEdit_output); - QWidget::setTabOrder(envir_lineEdit_output, envir_pushButton_output); - QWidget::setTabOrder(envir_pushButton_output, envir_spinBox_molecule); - QWidget::setTabOrder(envir_spinBox_molecule, envir_doubleSpinBox_radius); - QWidget::setTabOrder(envir_doubleSpinBox_radius, envir_checkBox_log); - QWidget::setTabOrder(envir_checkBox_log, envir_lineEdit_log); - QWidget::setTabOrder(envir_lineEdit_log, envir_pushButton_log); - QWidget::setTabOrder(envir_pushButton_log, envir_pushButton_clear); - QWidget::setTabOrder(envir_pushButton_clear, envir_pushButton_start); - QWidget::setTabOrder(envir_pushButton_start, radf_lineEdit_workDir); - QWidget::setTabOrder(radf_lineEdit_workDir, radf_pushButton_workDir); - QWidget::setTabOrder(radf_pushButton_workDir, radf_lineEdit_input); - QWidget::setTabOrder(radf_lineEdit_input, radf_spinBox_stepsFirst); - QWidget::setTabOrder(radf_spinBox_stepsFirst, radf_spinBox_stepsLast); - QWidget::setTabOrder(radf_spinBox_stepsLast, radf_doubleSpinBox_cellX); - QWidget::setTabOrder(radf_doubleSpinBox_cellX, radf_doubleSpinBox_cellY); - QWidget::setTabOrder(radf_doubleSpinBox_cellY, radf_doubleSpinBox_cellZ); - QWidget::setTabOrder(radf_doubleSpinBox_cellZ, radf_lineEdit_output); - QWidget::setTabOrder(radf_lineEdit_output, radf_pushButton_output); - QWidget::setTabOrder(radf_pushButton_output, radf_comboBox_atom); - QWidget::setTabOrder(radf_comboBox_atom, radf_spinBox_atoms0); - QWidget::setTabOrder(radf_spinBox_atoms0, radf_spinBox_atoms1); - QWidget::setTabOrder(radf_spinBox_atoms1, radf_spinBox_atoms2); - QWidget::setTabOrder(radf_spinBox_atoms2, radf_spinBox_atoms3); - QWidget::setTabOrder(radf_spinBox_atoms3, radf_spinBox_atoms4); - QWidget::setTabOrder(radf_spinBox_atoms4, radf_spinBox_atoms5); - QWidget::setTabOrder(radf_spinBox_atoms5, radf_doubleSpinBox_radMin); - QWidget::setTabOrder(radf_doubleSpinBox_radMin, radf_doubleSpinBox_radMax); - QWidget::setTabOrder(radf_doubleSpinBox_radMax, radf_doubleSpinBox_radStep); - QWidget::setTabOrder(radf_doubleSpinBox_radStep, radf_checkBox_ang); - QWidget::setTabOrder(radf_checkBox_ang, radf_doubleSpinBox_angMin); - QWidget::setTabOrder(radf_doubleSpinBox_angMin, radf_doubleSpinBox_angMax); - QWidget::setTabOrder(radf_doubleSpinBox_angMax, radf_doubleSpinBox_angStep); - QWidget::setTabOrder(radf_doubleSpinBox_angStep, radf_checkBox_matrix); - QWidget::setTabOrder(radf_checkBox_matrix, radf_checkBox_log); - QWidget::setTabOrder(radf_checkBox_log, radf_lineEdit_log); - QWidget::setTabOrder(radf_lineEdit_log, radf_pushButton_log); - QWidget::setTabOrder(radf_pushButton_log, radf_pushButton_clear); - QWidget::setTabOrder(radf_pushButton_clear, radf_pushButton_start); - QWidget::setTabOrder(radf_pushButton_start, pdb_comboBox_mode); - QWidget::setTabOrder(pdb_comboBox_mode, pdb_lineEdit_workDir); - QWidget::setTabOrder(pdb_lineEdit_workDir, pdb_pushButton_workDir); - QWidget::setTabOrder(pdb_pushButton_workDir, pdb_lineEdit_input); - QWidget::setTabOrder(pdb_lineEdit_input, pdb_pushButton_input); - QWidget::setTabOrder(pdb_pushButton_input, pdb_lineEdit_agl); - QWidget::setTabOrder(pdb_lineEdit_agl, pdb_pushButton_agl); - QWidget::setTabOrder(pdb_pushButton_agl, pdb_doubleSpinBox_cellX); - QWidget::setTabOrder(pdb_doubleSpinBox_cellX, pdb_doubleSpinBox_cellY); - QWidget::setTabOrder(pdb_doubleSpinBox_cellY, pdb_doubleSpinBox_cellZ); - QWidget::setTabOrder(pdb_doubleSpinBox_cellZ, pdb_lineEdit_output); - QWidget::setTabOrder(pdb_lineEdit_output, pdb_pushButton_output); - QWidget::setTabOrder(pdb_pushButton_output, pdb_checkBox_log); - QWidget::setTabOrder(pdb_checkBox_log, pdb_lineEdit_log); - QWidget::setTabOrder(pdb_lineEdit_log, pdb_pushButton_log); - QWidget::setTabOrder(pdb_pushButton_log, pdb_pushButton_clear); - QWidget::setTabOrder(pdb_pushButton_clear, pdb_pushButton_start); - - menuBar->addAction(menuMenu->menuAction()); - menuBar->addAction(menuHelp->menuAction()); - menuMenu->addAction(actionExit); - menuHelp->addAction(actionHelp); - menuHelp->addAction(actionAbout); - - retranslateUi(MainWindow); - QObject::connect(actionExit, SIGNAL(triggered()), MainWindow, SLOT(close())); - - tabWidget->setCurrentIndex(0); - - - QMetaObject::connectSlotsByName(MainWindow); - } // setupUi - - void retranslateUi(QMainWindow *MainWindow) - { - MainWindow->setWindowTitle(QApplication::translate("MainWindow", "Mathematical Molecular Mechanics", 0, QApplication::UnicodeUTF8)); - actionExit->setText(QApplication::translate("MainWindow", "Exit", 0, QApplication::UnicodeUTF8)); - actionExit->setShortcut(QApplication::translate("MainWindow", "Ctrl+Q", 0, QApplication::UnicodeUTF8)); - actionHelp->setText(QApplication::translate("MainWindow", "Help", 0, QApplication::UnicodeUTF8)); - actionHelp->setShortcut(QApplication::translate("MainWindow", "F1", 0, QApplication::UnicodeUTF8)); - actionAbout->setText(QApplication::translate("MainWindow", "About", 0, QApplication::UnicodeUTF8)); - trj_label_workDir->setText(QApplication::translate("MainWindow", "Work directory", 0, QApplication::UnicodeUTF8)); - trj_pushButton_workDir->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - trj_label_input->setText(QApplication::translate("MainWindow", "Input file", 0, QApplication::UnicodeUTF8)); - trj_pushButton_input->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - trj_label_type->setText(QApplication::translate("MainWindow", "Type of trajectory", 0, QApplication::UnicodeUTF8)); - trj_comboBox_type->clear(); - trj_comboBox_type->insertItems(0, QStringList() - << QApplication::translate("MainWindow", "GROMACS text", 0, QApplication::UnicodeUTF8) - << QApplication::translate("MainWindow", "PUMA", 0, QApplication::UnicodeUTF8) - ); - trj_label_steps->setText(QApplication::translate("MainWindow", "Number of steps", 0, QApplication::UnicodeUTF8)); - trj_label_atoms->setText(QApplication::translate("MainWindow", "Atom type file", 0, QApplication::UnicodeUTF8)); - trj_pushButton_atoms->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - trj_label_output->setText(QApplication::translate("MainWindow", "Mask of output files", 0, QApplication::UnicodeUTF8)); - trj_label_totalTypes->setText(QApplication::translate("MainWindow", "Total atom types", 0, QApplication::UnicodeUTF8)); - trj_checkBox_log->setText(QApplication::translate("MainWindow", "Log", 0, QApplication::UnicodeUTF8)); - trj_pushButton_log->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - trj_pushButton_clear->setText(QApplication::translate("MainWindow", "Clear", 0, QApplication::UnicodeUTF8)); - trj_pushButton_start->setText(QApplication::translate("MainWindow", "Start", 0, QApplication::UnicodeUTF8)); - tabWidget->setTabText(tabWidget->indexOf(trj), QApplication::translate("MainWindow", "Generate trajectory", 0, QApplication::UnicodeUTF8)); - statgen_label_workDir->setText(QApplication::translate("MainWindow", "Work directory", 0, QApplication::UnicodeUTF8)); - statgen_pushButton_workDir->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - statgen_label_input->setText(QApplication::translate("MainWindow", "Mask of input files", 0, QApplication::UnicodeUTF8)); - statgen_label_steps->setText(QApplication::translate("MainWindow", "Steps", 0, QApplication::UnicodeUTF8)); - statgen_label_stepsFirst->setText(QApplication::translate("MainWindow", "first", 0, QApplication::UnicodeUTF8)); - statgen_label_stepsLast->setText(QApplication::translate("MainWindow", "last", 0, QApplication::UnicodeUTF8)); - statgen_label_cell->setText(QApplication::translate("MainWindow", "Cell, A", 0, QApplication::UnicodeUTF8)); - statgen_label_cellX->setText(QApplication::translate("MainWindow", "X", 0, QApplication::UnicodeUTF8)); - statgen_label_cellY->setText(QApplication::translate("MainWindow", "Y", 0, QApplication::UnicodeUTF8)); - statgen_label_cellZ->setText(QApplication::translate("MainWindow", "Z", 0, QApplication::UnicodeUTF8)); - statgen_label_atoms0->setText(QApplication::translate("MainWindow", "atom 0", 0, QApplication::UnicodeUTF8)); - statgen_checkBox_atoms1->setText(QApplication::translate("MainWindow", "atom 1", 0, QApplication::UnicodeUTF8)); - statgen_checkBox_atoms2->setText(QApplication::translate("MainWindow", "atom 2", 0, QApplication::UnicodeUTF8)); - statgen_checkBox_atoms3->setText(QApplication::translate("MainWindow", "atom 3", 0, QApplication::UnicodeUTF8)); - statgen_label_int->setText(QApplication::translate("MainWindow", "Interaction", 0, QApplication::UnicodeUTF8)); - statgen_comboBox_int->clear(); - statgen_comboBox_int->insertItems(0, QStringList() - << QApplication::translate("MainWindow", "0-0", 0, QApplication::UnicodeUTF8) - ); - stagen_pushButton_intSave->setText(QApplication::translate("MainWindow", "Save", 0, QApplication::UnicodeUTF8)); - statgen_pushButton_intAdd->setText(QApplication::translate("MainWindow", "Add", 0, QApplication::UnicodeUTF8)); - stagen_pushButton_intRem->setText(QApplication::translate("MainWindow", "Remove", 0, QApplication::UnicodeUTF8)); - statgen_label_output->setText(QApplication::translate("MainWindow", "Output file", 0, QApplication::UnicodeUTF8)); - statgen_pushButton_output->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - statgen_checkBox_depth->setText(QApplication::translate("MainWindow", "Depth of search", 0, QApplication::UnicodeUTF8)); - statgen_checkBox_log->setText(QApplication::translate("MainWindow", "Log", 0, QApplication::UnicodeUTF8)); - statgen_pushButton_log->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - statgen_pushButton_clear->setText(QApplication::translate("MainWindow", "Clear", 0, QApplication::UnicodeUTF8)); - statgen_pushButton_start->setText(QApplication::translate("MainWindow", "Start", 0, QApplication::UnicodeUTF8)); - tabWidget->setTabText(tabWidget->indexOf(statgen), QApplication::translate("MainWindow", "Agglomeration", 0, QApplication::UnicodeUTF8)); - envir_label_workDir->setText(QApplication::translate("MainWindow", "Work directory", 0, QApplication::UnicodeUTF8)); - envir_pushButton_workDir->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - envir_label_input->setText(QApplication::translate("MainWindow", "Input file", 0, QApplication::UnicodeUTF8)); - envir_pushButton_input->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - envir_label_cell->setText(QApplication::translate("MainWindow", "Cell, A", 0, QApplication::UnicodeUTF8)); - envir_label_cellX->setText(QApplication::translate("MainWindow", "X", 0, QApplication::UnicodeUTF8)); - envir_label_cellY->setText(QApplication::translate("MainWindow", "Y", 0, QApplication::UnicodeUTF8)); - envir_label_cellZ->setText(QApplication::translate("MainWindow", "Z", 0, QApplication::UnicodeUTF8)); - envir_label_output->setText(QApplication::translate("MainWindow", "Output file", 0, QApplication::UnicodeUTF8)); - envir_pushButton_output->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - envir_label_molecule->setText(QApplication::translate("MainWindow", "Molecule", 0, QApplication::UnicodeUTF8)); - envir_label_radius->setText(QApplication::translate("MainWindow", "Radius", 0, QApplication::UnicodeUTF8)); - envir_checkBox_log->setText(QApplication::translate("MainWindow", "Log", 0, QApplication::UnicodeUTF8)); - envir_pushButton_log->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - envir_pushButton_clear->setText(QApplication::translate("MainWindow", "Clear", 0, QApplication::UnicodeUTF8)); - envir_pushButton_start->setText(QApplication::translate("MainWindow", "Start", 0, QApplication::UnicodeUTF8)); - tabWidget->setTabText(tabWidget->indexOf(envir), QApplication::translate("MainWindow", "Environment", 0, QApplication::UnicodeUTF8)); - radf_label_workDir->setText(QApplication::translate("MainWindow", "Work directory", 0, QApplication::UnicodeUTF8)); - radf_pushButton_workDir->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - radf_label_input->setText(QApplication::translate("MainWindow", "Mask of input files", 0, QApplication::UnicodeUTF8)); - radf_label_steps->setText(QApplication::translate("MainWindow", "Steps", 0, QApplication::UnicodeUTF8)); - radf_label_stepsFirst->setText(QApplication::translate("MainWindow", "first", 0, QApplication::UnicodeUTF8)); - radf_label_stepsLast->setText(QApplication::translate("MainWindow", "last", 0, QApplication::UnicodeUTF8)); - radf_label_cell->setText(QApplication::translate("MainWindow", "Cell, A", 0, QApplication::UnicodeUTF8)); - radf_label_cellX->setText(QApplication::translate("MainWindow", "X", 0, QApplication::UnicodeUTF8)); - radf_label_cellY->setText(QApplication::translate("MainWindow", "Y", 0, QApplication::UnicodeUTF8)); - radf_label_cellZ->setText(QApplication::translate("MainWindow", "Z", 0, QApplication::UnicodeUTF8)); - radf_label_output->setText(QApplication::translate("MainWindow", "Output file", 0, QApplication::UnicodeUTF8)); - radf_pushButton_output->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - radf_comboBox_atom->clear(); - radf_comboBox_atom->insertItems(0, QStringList() - << QApplication::translate("MainWindow", "One atom function", 0, QApplication::UnicodeUTF8) - << QApplication::translate("MainWindow", "Three atom function", 0, QApplication::UnicodeUTF8) - ); - radf_label_atoms0->setText(QApplication::translate("MainWindow", "atom 1", 0, QApplication::UnicodeUTF8)); - radf_label_atoms1->setText(QApplication::translate("MainWindow", "atom 2", 0, QApplication::UnicodeUTF8)); - radf_label_atoms2->setText(QApplication::translate("MainWindow", "atom 3", 0, QApplication::UnicodeUTF8)); - radf_label_atoms3->setText(QApplication::translate("MainWindow", "atom 1", 0, QApplication::UnicodeUTF8)); - radf_label_atoms4->setText(QApplication::translate("MainWindow", "atom 2", 0, QApplication::UnicodeUTF8)); - radf_label_atoms5->setText(QApplication::translate("MainWindow", "atom 3", 0, QApplication::UnicodeUTF8)); - radf_label_rad->setText(QApplication::translate("MainWindow", "R, A", 0, QApplication::UnicodeUTF8)); - radf_label_radMin->setText(QApplication::translate("MainWindow", "min", 0, QApplication::UnicodeUTF8)); - radf_label_radMax->setText(QApplication::translate("MainWindow", "max", 0, QApplication::UnicodeUTF8)); - radf_label_radStep->setText(QApplication::translate("MainWindow", "step", 0, QApplication::UnicodeUTF8)); - radf_checkBox_ang->setText(QApplication::translate("MainWindow", "Angle, deg", 0, QApplication::UnicodeUTF8)); - radf_label_angMin->setText(QApplication::translate("MainWindow", "min", 0, QApplication::UnicodeUTF8)); - radf_label_angMax->setText(QApplication::translate("MainWindow", "max", 0, QApplication::UnicodeUTF8)); - radf_label_angStep->setText(QApplication::translate("MainWindow", "step", 0, QApplication::UnicodeUTF8)); - radf_checkBox_matrix->setText(QApplication::translate("MainWindow", "Matrix", 0, QApplication::UnicodeUTF8)); - radf_checkBox_log->setText(QApplication::translate("MainWindow", "Log", 0, QApplication::UnicodeUTF8)); - radf_pushButton_log->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - radf_pushButton_clear->setText(QApplication::translate("MainWindow", "Clear", 0, QApplication::UnicodeUTF8)); - radf_pushButton_start->setText(QApplication::translate("MainWindow", "Start", 0, QApplication::UnicodeUTF8)); - tabWidget->setTabText(tabWidget->indexOf(radf), QApplication::translate("MainWindow", "RADF", 0, QApplication::UnicodeUTF8)); - pdb_comboBox_mode->clear(); - pdb_comboBox_mode->insertItems(0, QStringList() - << QApplication::translate("MainWindow", "From agglomerate", 0, QApplication::UnicodeUTF8) - << QApplication::translate("MainWindow", "From trajectory snapshot", 0, QApplication::UnicodeUTF8) - ); - pdb_label_workDir->setText(QApplication::translate("MainWindow", "Work directory", 0, QApplication::UnicodeUTF8)); - pdb_pushButton_workDir->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - pdb_label_input->setText(QApplication::translate("MainWindow", "Input file", 0, QApplication::UnicodeUTF8)); - pdb_pushButton_input->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - pdb_label_agl->setText(QApplication::translate("MainWindow", "File with agglomerate", 0, QApplication::UnicodeUTF8)); - pdb_pushButton_agl->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - pdb_label_cell->setText(QApplication::translate("MainWindow", "Cell, A", 0, QApplication::UnicodeUTF8)); - pdb_label_cellX->setText(QApplication::translate("MainWindow", "X", 0, QApplication::UnicodeUTF8)); - pdb_label_cellY->setText(QApplication::translate("MainWindow", "Y", 0, QApplication::UnicodeUTF8)); - pdb_label_cellZ->setText(QApplication::translate("MainWindow", "Z", 0, QApplication::UnicodeUTF8)); - pdb_label_output->setText(QApplication::translate("MainWindow", "Output file", 0, QApplication::UnicodeUTF8)); - pdb_pushButton_output->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - pdb_checkBox_log->setText(QApplication::translate("MainWindow", "Log", 0, QApplication::UnicodeUTF8)); - pdb_pushButton_log->setText(QApplication::translate("MainWindow", "Browse", 0, QApplication::UnicodeUTF8)); - pdb_pushButton_clear->setText(QApplication::translate("MainWindow", "Clear", 0, QApplication::UnicodeUTF8)); - pdb_pushButton_start->setText(QApplication::translate("MainWindow", "Start", 0, QApplication::UnicodeUTF8)); - tabWidget->setTabText(tabWidget->indexOf(pdb), QApplication::translate("MainWindow", "Generate PDB", 0, QApplication::UnicodeUTF8)); - menuMenu->setTitle(QApplication::translate("MainWindow", "Menu", 0, QApplication::UnicodeUTF8)); - menuHelp->setTitle(QApplication::translate("MainWindow", "Help", 0, QApplication::UnicodeUTF8)); - } // retranslateUi - -}; - -namespace Ui { - class MainWindow: public Ui_MainWindow {}; -} // namespace Ui - -QT_END_NAMESPACE - -#endif // UI_MAINWINDOW_H diff --git a/mm_radf/src/add_main.c b/mm_radf/src/add_main.c index f37474c..f2f6a56 100644 --- a/mm_radf/src/add_main.c +++ b/mm_radf/src/add_main.c @@ -134,7 +134,7 @@ int printing_head (const char *output, const int log, const int quiet, const int fprintf (f_out, "MASK=%s\nFIRST=%i\nLAST=%i\n", input, from, to); fprintf (f_out, "CELL=%.4f,%.4f,%.4f\n", cell[0], cell[1], cell[2]); fprintf (f_out, "MODE=%i\n", mode); - fprintf (f_out, "R_MIN=%.3f\nR_MAX=%.3f\nR_STEP=%.3f", r_min, r_max, r_step); + fprintf (f_out, "R_MIN=%.3f\nR_MAX=%.3f\nR_STEP=%.3f\n", r_min, r_max, r_step); switch (mode) { case 0: