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00010 #ifndef MINIMIZATIONDIALOGDATA_H
00011 #define MINIMIZATIONDIALOGDATA_H
00012
00013 #include <BALL/COMMON/global.h>
00014 #include <QtCore/QVariant>
00015 #include <QtGui/QAction>
00016 #include <QtGui/QApplication>
00017 #include <QtGui/QButtonGroup>
00018 #include <QtGui/QDialog>
00019 #include <QtGui/QGridLayout>
00020 #include <QtGui/QGroupBox>
00021 #include <QtGui/QLabel>
00022 #include <QtGui/QLineEdit>
00023 #include <QtGui/QPushButton>
00024 #include <QtGui/QRadioButton>
00025 #include <QtGui/QVBoxLayout>
00026
00027 QT_BEGIN_NAMESPACE
00028
00029 class Ui_MinimizationDialogData
00030 {
00031 public:
00032 QGridLayout *gridLayout;
00033 QGroupBox *minimization_group;
00034 QGridLayout *gridLayout1;
00035 QRadioButton *steepest_button;
00036 QRadioButton *conjugate_button;
00037 QRadioButton *SLBFGS_button;
00038 QRadioButton *SLVMM_button;
00039 QPushButton *cancel_button;
00040 QPushButton *start_button;
00041 QGroupBox *groupBox_2;
00042 QVBoxLayout *vboxLayout;
00043 QRadioButton *useAmberRadioButton;
00044 QRadioButton *useCharmmRadioButton;
00045 QRadioButton *useMMFF94RadioButton;
00046 QPushButton *advanced_button;
00047 QGroupBox *groupBox;
00048 QGridLayout *gridLayout2;
00049 QLabel *Label_7;
00050 QLabel *Label_11;
00051 QLabel *Label_6;
00052 QLabel *Label_4;
00053 QLabel *Label_13;
00054 QLineEdit *refresh_iterations_lineedit;
00055 QLineEdit *energy_difference_lineedit;
00056 QLineEdit *max_grad_lineedit;
00057 QLabel *Label_12;
00058 QLineEdit *max_iterations_lineedit;
00059 QLabel *Label_5;
00060
00061 void setupUi(QDialog *MinimizationDialogData)
00062 {
00063 if (MinimizationDialogData->objectName().isEmpty())
00064 MinimizationDialogData->setObjectName(QString::fromUtf8("MinimizationDialogData"));
00065 MinimizationDialogData->resize(507, 354);
00066 QSizePolicy sizePolicy(static_cast<QSizePolicy::Policy>(0), static_cast<QSizePolicy::Policy>(0));
00067 sizePolicy.setHorizontalStretch(0);
00068 sizePolicy.setVerticalStretch(0);
00069 sizePolicy.setHeightForWidth(MinimizationDialogData->sizePolicy().hasHeightForWidth());
00070 MinimizationDialogData->setSizePolicy(sizePolicy);
00071 MinimizationDialogData->setMinimumSize(QSize(0, 0));
00072 MinimizationDialogData->setMaximumSize(QSize(900, 9090));
00073 gridLayout = new QGridLayout(MinimizationDialogData);
00074 gridLayout->setSpacing(6);
00075 gridLayout->setMargin(9);
00076 gridLayout->setObjectName(QString::fromUtf8("gridLayout"));
00077 minimization_group = new QGroupBox(MinimizationDialogData);
00078 minimization_group->setObjectName(QString::fromUtf8("minimization_group"));
00079 gridLayout1 = new QGridLayout(minimization_group);
00080 gridLayout1->setSpacing(6);
00081 gridLayout1->setMargin(9);
00082 gridLayout1->setObjectName(QString::fromUtf8("gridLayout1"));
00083 steepest_button = new QRadioButton(minimization_group);
00084 steepest_button->setObjectName(QString::fromUtf8("steepest_button"));
00085
00086 gridLayout1->addWidget(steepest_button, 3, 0, 1, 1);
00087
00088 conjugate_button = new QRadioButton(minimization_group);
00089 conjugate_button->setObjectName(QString::fromUtf8("conjugate_button"));
00090
00091 gridLayout1->addWidget(conjugate_button, 2, 0, 1, 1);
00092
00093 SLBFGS_button = new QRadioButton(minimization_group);
00094 SLBFGS_button->setObjectName(QString::fromUtf8("SLBFGS_button"));
00095
00096 gridLayout1->addWidget(SLBFGS_button, 1, 0, 1, 1);
00097
00098 SLVMM_button = new QRadioButton(minimization_group);
00099 SLVMM_button->setObjectName(QString::fromUtf8("SLVMM_button"));
00100 SLVMM_button->setChecked(true);
00101
00102 gridLayout1->addWidget(SLVMM_button, 0, 0, 1, 1);
00103
00104
00105 gridLayout->addWidget(minimization_group, 1, 0, 1, 1);
00106
00107 cancel_button = new QPushButton(MinimizationDialogData);
00108 cancel_button->setObjectName(QString::fromUtf8("cancel_button"));
00109 cancel_button->setMinimumSize(QSize(0, 30));
00110 cancel_button->setMaximumSize(QSize(32767, 30));
00111 cancel_button->setFocusPolicy(Qt::TabFocus);
00112 cancel_button->setAutoDefault(true);
00113
00114 gridLayout->addWidget(cancel_button, 2, 1, 1, 1);
00115
00116 start_button = new QPushButton(MinimizationDialogData);
00117 start_button->setObjectName(QString::fromUtf8("start_button"));
00118 start_button->setMinimumSize(QSize(0, 30));
00119 start_button->setMaximumSize(QSize(32767, 30));
00120 start_button->setFocusPolicy(Qt::TabFocus);
00121 start_button->setAutoDefault(true);
00122 start_button->setDefault(true);
00123
00124 gridLayout->addWidget(start_button, 2, 0, 1, 1);
00125
00126 groupBox_2 = new QGroupBox(MinimizationDialogData);
00127 groupBox_2->setObjectName(QString::fromUtf8("groupBox_2"));
00128 vboxLayout = new QVBoxLayout(groupBox_2);
00129 vboxLayout->setSpacing(6);
00130 vboxLayout->setMargin(9);
00131 vboxLayout->setObjectName(QString::fromUtf8("vboxLayout"));
00132 useAmberRadioButton = new QRadioButton(groupBox_2);
00133 useAmberRadioButton->setObjectName(QString::fromUtf8("useAmberRadioButton"));
00134 useAmberRadioButton->setMinimumSize(QSize(0, 20));
00135 useAmberRadioButton->setChecked(true);
00136
00137 vboxLayout->addWidget(useAmberRadioButton);
00138
00139 useCharmmRadioButton = new QRadioButton(groupBox_2);
00140 useCharmmRadioButton->setObjectName(QString::fromUtf8("useCharmmRadioButton"));
00141 useCharmmRadioButton->setMinimumSize(QSize(0, 20));
00142
00143 vboxLayout->addWidget(useCharmmRadioButton);
00144
00145 useMMFF94RadioButton = new QRadioButton(groupBox_2);
00146 useMMFF94RadioButton->setObjectName(QString::fromUtf8("useMMFF94RadioButton"));
00147 useMMFF94RadioButton->setMinimumSize(QSize(0, 20));
00148
00149 vboxLayout->addWidget(useMMFF94RadioButton);
00150
00151 advanced_button = new QPushButton(groupBox_2);
00152 advanced_button->setObjectName(QString::fromUtf8("advanced_button"));
00153 advanced_button->setMinimumSize(QSize(170, 30));
00154
00155 vboxLayout->addWidget(advanced_button);
00156
00157
00158 gridLayout->addWidget(groupBox_2, 1, 1, 1, 1);
00159
00160 groupBox = new QGroupBox(MinimizationDialogData);
00161 groupBox->setObjectName(QString::fromUtf8("groupBox"));
00162 gridLayout2 = new QGridLayout(groupBox);
00163 gridLayout2->setSpacing(6);
00164 gridLayout2->setMargin(9);
00165 gridLayout2->setObjectName(QString::fromUtf8("gridLayout2"));
00166 Label_7 = new QLabel(groupBox);
00167 Label_7->setObjectName(QString::fromUtf8("Label_7"));
00168 Label_7->setFocusPolicy(Qt::NoFocus);
00169 Label_7->setLineWidth(1);
00170 Label_7->setTextFormat(Qt::AutoText);
00171 Label_7->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00172
00173 gridLayout2->addWidget(Label_7, 2, 2, 1, 1);
00174
00175 Label_11 = new QLabel(groupBox);
00176 Label_11->setObjectName(QString::fromUtf8("Label_11"));
00177 Label_11->setFocusPolicy(Qt::NoFocus);
00178 Label_11->setLineWidth(1);
00179 Label_11->setTextFormat(Qt::AutoText);
00180 Label_11->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00181
00182 gridLayout2->addWidget(Label_11, 1, 2, 1, 1);
00183
00184 Label_6 = new QLabel(groupBox);
00185 Label_6->setObjectName(QString::fromUtf8("Label_6"));
00186 Label_6->setFocusPolicy(Qt::NoFocus);
00187 Label_6->setLineWidth(1);
00188 Label_6->setTextFormat(Qt::AutoText);
00189 Label_6->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00190
00191 gridLayout2->addWidget(Label_6, 2, 0, 1, 1);
00192
00193 Label_4 = new QLabel(groupBox);
00194 Label_4->setObjectName(QString::fromUtf8("Label_4"));
00195 Label_4->setFocusPolicy(Qt::NoFocus);
00196 Label_4->setLineWidth(1);
00197 Label_4->setTextFormat(Qt::AutoText);
00198 Label_4->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00199
00200 gridLayout2->addWidget(Label_4, 0, 0, 1, 1);
00201
00202 Label_13 = new QLabel(groupBox);
00203 Label_13->setObjectName(QString::fromUtf8("Label_13"));
00204 Label_13->setFocusPolicy(Qt::NoFocus);
00205 Label_13->setLineWidth(1);
00206 Label_13->setTextFormat(Qt::AutoText);
00207 Label_13->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00208
00209 gridLayout2->addWidget(Label_13, 3, 2, 1, 1);
00210
00211 refresh_iterations_lineedit = new QLineEdit(groupBox);
00212 refresh_iterations_lineedit->setObjectName(QString::fromUtf8("refresh_iterations_lineedit"));
00213 QSizePolicy sizePolicy1(static_cast<QSizePolicy::Policy>(1), static_cast<QSizePolicy::Policy>(1));
00214 sizePolicy1.setHorizontalStretch(0);
00215 sizePolicy1.setVerticalStretch(0);
00216 sizePolicy1.setHeightForWidth(refresh_iterations_lineedit->sizePolicy().hasHeightForWidth());
00217 refresh_iterations_lineedit->setSizePolicy(sizePolicy1);
00218 refresh_iterations_lineedit->setMinimumSize(QSize(130, 0));
00219 refresh_iterations_lineedit->setMaximumSize(QSize(130, 32767));
00220 refresh_iterations_lineedit->setFocusPolicy(Qt::StrongFocus);
00221 refresh_iterations_lineedit->setMaxLength(7);
00222 refresh_iterations_lineedit->setFrame(true);
00223 refresh_iterations_lineedit->setEchoMode(QLineEdit::Normal);
00224 refresh_iterations_lineedit->setAlignment(Qt::AlignRight);
00225
00226 gridLayout2->addWidget(refresh_iterations_lineedit, 1, 1, 1, 1);
00227
00228 energy_difference_lineedit = new QLineEdit(groupBox);
00229 energy_difference_lineedit->setObjectName(QString::fromUtf8("energy_difference_lineedit"));
00230 QSizePolicy sizePolicy2(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(1));
00231 sizePolicy2.setHorizontalStretch(0);
00232 sizePolicy2.setVerticalStretch(0);
00233 sizePolicy2.setHeightForWidth(energy_difference_lineedit->sizePolicy().hasHeightForWidth());
00234 energy_difference_lineedit->setSizePolicy(sizePolicy2);
00235 energy_difference_lineedit->setMinimumSize(QSize(130, 0));
00236 energy_difference_lineedit->setMaximumSize(QSize(130, 32767));
00237 energy_difference_lineedit->setFocusPolicy(Qt::StrongFocus);
00238 energy_difference_lineedit->setMaxLength(32767);
00239 energy_difference_lineedit->setFrame(true);
00240 energy_difference_lineedit->setEchoMode(QLineEdit::Normal);
00241 energy_difference_lineedit->setAlignment(Qt::AlignRight);
00242
00243 gridLayout2->addWidget(energy_difference_lineedit, 3, 1, 1, 1);
00244
00245 max_grad_lineedit = new QLineEdit(groupBox);
00246 max_grad_lineedit->setObjectName(QString::fromUtf8("max_grad_lineedit"));
00247 sizePolicy1.setHeightForWidth(max_grad_lineedit->sizePolicy().hasHeightForWidth());
00248 max_grad_lineedit->setSizePolicy(sizePolicy1);
00249 max_grad_lineedit->setMinimumSize(QSize(130, 0));
00250 max_grad_lineedit->setMaximumSize(QSize(130, 32767));
00251 max_grad_lineedit->setFocusPolicy(Qt::StrongFocus);
00252 max_grad_lineedit->setMaxLength(12);
00253 max_grad_lineedit->setFrame(true);
00254 max_grad_lineedit->setEchoMode(QLineEdit::Normal);
00255 max_grad_lineedit->setAlignment(Qt::AlignRight);
00256
00257 gridLayout2->addWidget(max_grad_lineedit, 2, 1, 1, 1);
00258
00259 Label_12 = new QLabel(groupBox);
00260 Label_12->setObjectName(QString::fromUtf8("Label_12"));
00261 Label_12->setFocusPolicy(Qt::NoFocus);
00262 Label_12->setLineWidth(1);
00263 Label_12->setTextFormat(Qt::AutoText);
00264 Label_12->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00265
00266 gridLayout2->addWidget(Label_12, 3, 0, 1, 1);
00267
00268 max_iterations_lineedit = new QLineEdit(groupBox);
00269 max_iterations_lineedit->setObjectName(QString::fromUtf8("max_iterations_lineedit"));
00270 sizePolicy1.setHeightForWidth(max_iterations_lineedit->sizePolicy().hasHeightForWidth());
00271 max_iterations_lineedit->setSizePolicy(sizePolicy1);
00272 max_iterations_lineedit->setMinimumSize(QSize(130, 0));
00273 max_iterations_lineedit->setFocusPolicy(Qt::StrongFocus);
00274 max_iterations_lineedit->setMaxLength(7);
00275 max_iterations_lineedit->setFrame(true);
00276 max_iterations_lineedit->setEchoMode(QLineEdit::Normal);
00277 max_iterations_lineedit->setAlignment(Qt::AlignRight);
00278
00279 gridLayout2->addWidget(max_iterations_lineedit, 0, 1, 1, 1);
00280
00281 Label_5 = new QLabel(groupBox);
00282 Label_5->setObjectName(QString::fromUtf8("Label_5"));
00283 Label_5->setFocusPolicy(Qt::NoFocus);
00284 Label_5->setLineWidth(1);
00285 Label_5->setTextFormat(Qt::AutoText);
00286 Label_5->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00287
00288 gridLayout2->addWidget(Label_5, 1, 0, 1, 1);
00289
00290
00291 gridLayout->addWidget(groupBox, 0, 0, 1, 2);
00292
00293 QWidget::setTabOrder(max_iterations_lineedit, refresh_iterations_lineedit);
00294 QWidget::setTabOrder(refresh_iterations_lineedit, max_grad_lineedit);
00295 QWidget::setTabOrder(max_grad_lineedit, energy_difference_lineedit);
00296 QWidget::setTabOrder(energy_difference_lineedit, useAmberRadioButton);
00297 QWidget::setTabOrder(useAmberRadioButton, useCharmmRadioButton);
00298 QWidget::setTabOrder(useCharmmRadioButton, advanced_button);
00299 QWidget::setTabOrder(advanced_button, useMMFF94RadioButton);
00300 QWidget::setTabOrder(useMMFF94RadioButton, start_button);
00301 QWidget::setTabOrder(start_button, cancel_button);
00302
00303 retranslateUi(MinimizationDialogData);
00304
00305 QMetaObject::connectSlotsByName(MinimizationDialogData);
00306 }
00307
00308 void retranslateUi(QDialog *MinimizationDialogData)
00309 {
00310 MinimizationDialogData->setWindowTitle(QApplication::translate("MinimizationDialogData", "Energy Minimization", 0, QApplication::UnicodeUTF8));
00311 minimization_group->setTitle(QApplication::translate("MinimizationDialogData", "Algorithm", 0, QApplication::UnicodeUTF8));
00312 steepest_button->setText(QApplication::translate("MinimizationDialogData", "Steepest Descent", 0, QApplication::UnicodeUTF8));
00313 conjugate_button->setText(QApplication::translate("MinimizationDialogData", "Conjugate Gradient", 0, QApplication::UnicodeUTF8));
00314 SLBFGS_button->setText(QApplication::translate("MinimizationDialogData", "L-BFGS", 0, QApplication::UnicodeUTF8));
00315 SLVMM_button->setText(QApplication::translate("MinimizationDialogData", "Shifted LVMM", 0, QApplication::UnicodeUTF8));
00316
00317 #ifndef QT_NO_TOOLTIP
00318 cancel_button->setToolTip(QApplication::translate("MinimizationDialogData", "Close window without energy minimization", 0, QApplication::UnicodeUTF8));
00319 #endif // QT_NO_TOOLTIP
00320
00321 cancel_button->setText(QApplication::translate("MinimizationDialogData", "Cancel", 0, QApplication::UnicodeUTF8));
00322 cancel_button->setShortcut(QString());
00323
00324 #ifndef QT_NO_TOOLTIP
00325 start_button->setToolTip(QApplication::translate("MinimizationDialogData", "Start minimization", 0, QApplication::UnicodeUTF8));
00326 #endif // QT_NO_TOOLTIP
00327
00328 start_button->setText(QApplication::translate("MinimizationDialogData", "&Minimize", 0, QApplication::UnicodeUTF8));
00329 start_button->setShortcut(QApplication::translate("MinimizationDialogData", "Alt+M", 0, QApplication::UnicodeUTF8));
00330 groupBox_2->setTitle(QApplication::translate("MinimizationDialogData", "Force Field", 0, QApplication::UnicodeUTF8));
00331 useAmberRadioButton->setText(QApplication::translate("MinimizationDialogData", "AMBER", 0, QApplication::UnicodeUTF8));
00332 useAmberRadioButton->setShortcut(QString());
00333 useCharmmRadioButton->setText(QApplication::translate("MinimizationDialogData", "CHARMM", 0, QApplication::UnicodeUTF8));
00334 useCharmmRadioButton->setShortcut(QString());
00335 useMMFF94RadioButton->setText(QApplication::translate("MinimizationDialogData", "MMFF94", 0, QApplication::UnicodeUTF8));
00336 useMMFF94RadioButton->setShortcut(QString());
00337
00338 #ifndef QT_NO_TOOLTIP
00339 advanced_button->setToolTip(QApplication::translate("MinimizationDialogData", "Edit force field options", 0, QApplication::UnicodeUTF8));
00340 #endif // QT_NO_TOOLTIP
00341
00342 advanced_button->setText(QApplication::translate("MinimizationDialogData", "&Force field options", 0, QApplication::UnicodeUTF8));
00343 advanced_button->setShortcut(QApplication::translate("MinimizationDialogData", "Alt+F", 0, QApplication::UnicodeUTF8));
00344 groupBox->setTitle(QApplication::translate("MinimizationDialogData", "Options", 0, QApplication::UnicodeUTF8));
00345 Label_7->setText(QApplication::translate("MinimizationDialogData", "kJ/(mol \303\205)", 0, QApplication::UnicodeUTF8));
00346 Label_11->setText(QApplication::translate("MinimizationDialogData", "iterations", 0, QApplication::UnicodeUTF8));
00347 Label_6->setText(QApplication::translate("MinimizationDialogData", "Maximum gradient for convergence", 0, QApplication::UnicodeUTF8));
00348 Label_4->setText(QApplication::translate("MinimizationDialogData", "Maximum number of iterations", 0, QApplication::UnicodeUTF8));
00349 Label_13->setText(QApplication::translate("MinimizationDialogData", "kJ/mol", 0, QApplication::UnicodeUTF8));
00350
00351 #ifndef QT_NO_TOOLTIP
00352 refresh_iterations_lineedit->setToolTip(QApplication::translate("MinimizationDialogData", "Number of iterations made for energy minimization", 0, QApplication::UnicodeUTF8));
00353 #endif // QT_NO_TOOLTIP
00354
00355 refresh_iterations_lineedit->setText(QApplication::translate("MinimizationDialogData", "10", 0, QApplication::UnicodeUTF8));
00356 energy_difference_lineedit->setText(QApplication::translate("MinimizationDialogData", "0.0001", 0, QApplication::UnicodeUTF8));
00357 max_grad_lineedit->setText(QApplication::translate("MinimizationDialogData", "0.5", 0, QApplication::UnicodeUTF8));
00358 Label_12->setText(QApplication::translate("MinimizationDialogData", "Maximum energy difference", 0, QApplication::UnicodeUTF8));
00359 max_iterations_lineedit->setText(QApplication::translate("MinimizationDialogData", "500", 0, QApplication::UnicodeUTF8));
00360 Label_5->setText(QApplication::translate("MinimizationDialogData", "Redraw screen after", 0, QApplication::UnicodeUTF8));
00361 Q_UNUSED(MinimizationDialogData);
00362 }
00363
00364 };
00365
00366 namespace Ui {
00367 class MinimizationDialogData: public Ui_MinimizationDialogData {};
00368 }
00369
00370 QT_END_NAMESPACE
00371
00372 #endif // MINIMIZATIONDIALOGDATA_H