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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 class Ui_MinimizationDialogData
00028 {
00029 public:
00030 QGridLayout *gridLayout;
00031 QGroupBox *minimization_group;
00032 QGridLayout *gridLayout1;
00033 QRadioButton *steepest_button;
00034 QRadioButton *conjugate_button;
00035 QRadioButton *SLBFGS_button;
00036 QRadioButton *SLVMM_button;
00037 QPushButton *cancel_button;
00038 QPushButton *start_button;
00039 QGroupBox *groupBox_2;
00040 QVBoxLayout *vboxLayout;
00041 QRadioButton *useAmberRadioButton;
00042 QRadioButton *useCharmmRadioButton;
00043 QRadioButton *useMMFF94RadioButton;
00044 QPushButton *advanced_button;
00045 QGroupBox *groupBox;
00046 QGridLayout *gridLayout2;
00047 QLabel *Label_7;
00048 QLabel *Label_11;
00049 QLabel *Label_6;
00050 QLabel *Label_4;
00051 QLabel *Label_13;
00052 QLineEdit *refresh_iterations_lineedit;
00053 QLineEdit *energy_difference_lineedit;
00054 QLineEdit *max_grad_lineedit;
00055 QLabel *Label_12;
00056 QLineEdit *max_iterations_lineedit;
00057 QLabel *Label_5;
00058
00059 void setupUi(QDialog *MinimizationDialogData)
00060 {
00061 MinimizationDialogData->setObjectName(QString::fromUtf8("MinimizationDialogData"));
00062 QSizePolicy sizePolicy(static_cast<QSizePolicy::Policy>(0), static_cast<QSizePolicy::Policy>(0));
00063 sizePolicy.setHorizontalStretch(0);
00064 sizePolicy.setVerticalStretch(0);
00065 sizePolicy.setHeightForWidth(MinimizationDialogData->sizePolicy().hasHeightForWidth());
00066 MinimizationDialogData->setSizePolicy(sizePolicy);
00067 MinimizationDialogData->setMinimumSize(QSize(0, 0));
00068 MinimizationDialogData->setMaximumSize(QSize(900, 9090));
00069 gridLayout = new QGridLayout(MinimizationDialogData);
00070 gridLayout->setSpacing(6);
00071 gridLayout->setMargin(9);
00072 gridLayout->setObjectName(QString::fromUtf8("gridLayout"));
00073 minimization_group = new QGroupBox(MinimizationDialogData);
00074 minimization_group->setObjectName(QString::fromUtf8("minimization_group"));
00075 gridLayout1 = new QGridLayout(minimization_group);
00076 gridLayout1->setSpacing(6);
00077 gridLayout1->setMargin(9);
00078 gridLayout1->setObjectName(QString::fromUtf8("gridLayout1"));
00079 steepest_button = new QRadioButton(minimization_group);
00080 steepest_button->setObjectName(QString::fromUtf8("steepest_button"));
00081
00082 gridLayout1->addWidget(steepest_button, 3, 0, 1, 1);
00083
00084 conjugate_button = new QRadioButton(minimization_group);
00085 conjugate_button->setObjectName(QString::fromUtf8("conjugate_button"));
00086
00087 gridLayout1->addWidget(conjugate_button, 2, 0, 1, 1);
00088
00089 SLBFGS_button = new QRadioButton(minimization_group);
00090 SLBFGS_button->setObjectName(QString::fromUtf8("SLBFGS_button"));
00091
00092 gridLayout1->addWidget(SLBFGS_button, 1, 0, 1, 1);
00093
00094 SLVMM_button = new QRadioButton(minimization_group);
00095 SLVMM_button->setObjectName(QString::fromUtf8("SLVMM_button"));
00096 SLVMM_button->setChecked(true);
00097
00098 gridLayout1->addWidget(SLVMM_button, 0, 0, 1, 1);
00099
00100
00101 gridLayout->addWidget(minimization_group, 1, 0, 1, 1);
00102
00103 cancel_button = new QPushButton(MinimizationDialogData);
00104 cancel_button->setObjectName(QString::fromUtf8("cancel_button"));
00105 cancel_button->setMinimumSize(QSize(0, 30));
00106 cancel_button->setMaximumSize(QSize(32767, 30));
00107 cancel_button->setFocusPolicy(Qt::TabFocus);
00108 cancel_button->setAutoDefault(true);
00109
00110 gridLayout->addWidget(cancel_button, 2, 1, 1, 1);
00111
00112 start_button = new QPushButton(MinimizationDialogData);
00113 start_button->setObjectName(QString::fromUtf8("start_button"));
00114 start_button->setMinimumSize(QSize(0, 30));
00115 start_button->setMaximumSize(QSize(32767, 30));
00116 start_button->setFocusPolicy(Qt::TabFocus);
00117 start_button->setAutoDefault(true);
00118 start_button->setDefault(true);
00119
00120 gridLayout->addWidget(start_button, 2, 0, 1, 1);
00121
00122 groupBox_2 = new QGroupBox(MinimizationDialogData);
00123 groupBox_2->setObjectName(QString::fromUtf8("groupBox_2"));
00124 vboxLayout = new QVBoxLayout(groupBox_2);
00125 vboxLayout->setSpacing(6);
00126 vboxLayout->setMargin(9);
00127 vboxLayout->setObjectName(QString::fromUtf8("vboxLayout"));
00128 useAmberRadioButton = new QRadioButton(groupBox_2);
00129 useAmberRadioButton->setObjectName(QString::fromUtf8("useAmberRadioButton"));
00130 useAmberRadioButton->setMinimumSize(QSize(0, 20));
00131 useAmberRadioButton->setChecked(true);
00132
00133 vboxLayout->addWidget(useAmberRadioButton);
00134
00135 useCharmmRadioButton = new QRadioButton(groupBox_2);
00136 useCharmmRadioButton->setObjectName(QString::fromUtf8("useCharmmRadioButton"));
00137 useCharmmRadioButton->setMinimumSize(QSize(0, 20));
00138
00139 vboxLayout->addWidget(useCharmmRadioButton);
00140
00141 useMMFF94RadioButton = new QRadioButton(groupBox_2);
00142 useMMFF94RadioButton->setObjectName(QString::fromUtf8("useMMFF94RadioButton"));
00143 useMMFF94RadioButton->setMinimumSize(QSize(0, 20));
00144
00145 vboxLayout->addWidget(useMMFF94RadioButton);
00146
00147 advanced_button = new QPushButton(groupBox_2);
00148 advanced_button->setObjectName(QString::fromUtf8("advanced_button"));
00149 advanced_button->setMinimumSize(QSize(170, 30));
00150
00151 vboxLayout->addWidget(advanced_button);
00152
00153
00154 gridLayout->addWidget(groupBox_2, 1, 1, 1, 1);
00155
00156 groupBox = new QGroupBox(MinimizationDialogData);
00157 groupBox->setObjectName(QString::fromUtf8("groupBox"));
00158 gridLayout2 = new QGridLayout(groupBox);
00159 gridLayout2->setSpacing(6);
00160 gridLayout2->setMargin(9);
00161 gridLayout2->setObjectName(QString::fromUtf8("gridLayout2"));
00162 Label_7 = new QLabel(groupBox);
00163 Label_7->setObjectName(QString::fromUtf8("Label_7"));
00164 Label_7->setFocusPolicy(Qt::NoFocus);
00165 Label_7->setLineWidth(1);
00166 Label_7->setTextFormat(Qt::AutoText);
00167 Label_7->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00168
00169 gridLayout2->addWidget(Label_7, 2, 2, 1, 1);
00170
00171 Label_11 = new QLabel(groupBox);
00172 Label_11->setObjectName(QString::fromUtf8("Label_11"));
00173 Label_11->setFocusPolicy(Qt::NoFocus);
00174 Label_11->setLineWidth(1);
00175 Label_11->setTextFormat(Qt::AutoText);
00176 Label_11->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00177
00178 gridLayout2->addWidget(Label_11, 1, 2, 1, 1);
00179
00180 Label_6 = new QLabel(groupBox);
00181 Label_6->setObjectName(QString::fromUtf8("Label_6"));
00182 Label_6->setFocusPolicy(Qt::NoFocus);
00183 Label_6->setLineWidth(1);
00184 Label_6->setTextFormat(Qt::AutoText);
00185 Label_6->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00186
00187 gridLayout2->addWidget(Label_6, 2, 0, 1, 1);
00188
00189 Label_4 = new QLabel(groupBox);
00190 Label_4->setObjectName(QString::fromUtf8("Label_4"));
00191 Label_4->setFocusPolicy(Qt::NoFocus);
00192 Label_4->setLineWidth(1);
00193 Label_4->setTextFormat(Qt::AutoText);
00194 Label_4->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00195
00196 gridLayout2->addWidget(Label_4, 0, 0, 1, 1);
00197
00198 Label_13 = new QLabel(groupBox);
00199 Label_13->setObjectName(QString::fromUtf8("Label_13"));
00200 Label_13->setFocusPolicy(Qt::NoFocus);
00201 Label_13->setLineWidth(1);
00202 Label_13->setTextFormat(Qt::AutoText);
00203 Label_13->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00204
00205 gridLayout2->addWidget(Label_13, 3, 2, 1, 1);
00206
00207 refresh_iterations_lineedit = new QLineEdit(groupBox);
00208 refresh_iterations_lineedit->setObjectName(QString::fromUtf8("refresh_iterations_lineedit"));
00209 QSizePolicy sizePolicy1(static_cast<QSizePolicy::Policy>(1), static_cast<QSizePolicy::Policy>(1));
00210 sizePolicy1.setHorizontalStretch(0);
00211 sizePolicy1.setVerticalStretch(0);
00212 sizePolicy1.setHeightForWidth(refresh_iterations_lineedit->sizePolicy().hasHeightForWidth());
00213 refresh_iterations_lineedit->setSizePolicy(sizePolicy1);
00214 refresh_iterations_lineedit->setMinimumSize(QSize(130, 0));
00215 refresh_iterations_lineedit->setMaximumSize(QSize(130, 32767));
00216 refresh_iterations_lineedit->setFocusPolicy(Qt::StrongFocus);
00217 refresh_iterations_lineedit->setMaxLength(7);
00218 refresh_iterations_lineedit->setFrame(true);
00219 refresh_iterations_lineedit->setEchoMode(QLineEdit::Normal);
00220 refresh_iterations_lineedit->setAlignment(Qt::AlignRight);
00221
00222 gridLayout2->addWidget(refresh_iterations_lineedit, 1, 1, 1, 1);
00223
00224 energy_difference_lineedit = new QLineEdit(groupBox);
00225 energy_difference_lineedit->setObjectName(QString::fromUtf8("energy_difference_lineedit"));
00226 QSizePolicy sizePolicy2(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(1));
00227 sizePolicy2.setHorizontalStretch(0);
00228 sizePolicy2.setVerticalStretch(0);
00229 sizePolicy2.setHeightForWidth(energy_difference_lineedit->sizePolicy().hasHeightForWidth());
00230 energy_difference_lineedit->setSizePolicy(sizePolicy2);
00231 energy_difference_lineedit->setMinimumSize(QSize(130, 0));
00232 energy_difference_lineedit->setMaximumSize(QSize(130, 32767));
00233 energy_difference_lineedit->setFocusPolicy(Qt::StrongFocus);
00234 energy_difference_lineedit->setMaxLength(32767);
00235 energy_difference_lineedit->setFrame(true);
00236 energy_difference_lineedit->setEchoMode(QLineEdit::Normal);
00237 energy_difference_lineedit->setAlignment(Qt::AlignRight);
00238
00239 gridLayout2->addWidget(energy_difference_lineedit, 3, 1, 1, 1);
00240
00241 max_grad_lineedit = new QLineEdit(groupBox);
00242 max_grad_lineedit->setObjectName(QString::fromUtf8("max_grad_lineedit"));
00243 QSizePolicy sizePolicy3(static_cast<QSizePolicy::Policy>(1), static_cast<QSizePolicy::Policy>(1));
00244 sizePolicy3.setHorizontalStretch(0);
00245 sizePolicy3.setVerticalStretch(0);
00246 sizePolicy3.setHeightForWidth(max_grad_lineedit->sizePolicy().hasHeightForWidth());
00247 max_grad_lineedit->setSizePolicy(sizePolicy3);
00248 max_grad_lineedit->setMinimumSize(QSize(130, 0));
00249 max_grad_lineedit->setMaximumSize(QSize(130, 32767));
00250 max_grad_lineedit->setFocusPolicy(Qt::StrongFocus);
00251 max_grad_lineedit->setMaxLength(12);
00252 max_grad_lineedit->setFrame(true);
00253 max_grad_lineedit->setEchoMode(QLineEdit::Normal);
00254 max_grad_lineedit->setAlignment(Qt::AlignRight);
00255
00256 gridLayout2->addWidget(max_grad_lineedit, 2, 1, 1, 1);
00257
00258 Label_12 = new QLabel(groupBox);
00259 Label_12->setObjectName(QString::fromUtf8("Label_12"));
00260 Label_12->setFocusPolicy(Qt::NoFocus);
00261 Label_12->setLineWidth(1);
00262 Label_12->setTextFormat(Qt::AutoText);
00263 Label_12->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00264
00265 gridLayout2->addWidget(Label_12, 3, 0, 1, 1);
00266
00267 max_iterations_lineedit = new QLineEdit(groupBox);
00268 max_iterations_lineedit->setObjectName(QString::fromUtf8("max_iterations_lineedit"));
00269 QSizePolicy sizePolicy4(static_cast<QSizePolicy::Policy>(1), static_cast<QSizePolicy::Policy>(1));
00270 sizePolicy4.setHorizontalStretch(0);
00271 sizePolicy4.setVerticalStretch(0);
00272 sizePolicy4.setHeightForWidth(max_iterations_lineedit->sizePolicy().hasHeightForWidth());
00273 max_iterations_lineedit->setSizePolicy(sizePolicy4);
00274 max_iterations_lineedit->setMinimumSize(QSize(130, 0));
00275 max_iterations_lineedit->setFocusPolicy(Qt::StrongFocus);
00276 max_iterations_lineedit->setMaxLength(7);
00277 max_iterations_lineedit->setFrame(true);
00278 max_iterations_lineedit->setEchoMode(QLineEdit::Normal);
00279 max_iterations_lineedit->setAlignment(Qt::AlignRight);
00280
00281 gridLayout2->addWidget(max_iterations_lineedit, 0, 1, 1, 1);
00282
00283 Label_5 = new QLabel(groupBox);
00284 Label_5->setObjectName(QString::fromUtf8("Label_5"));
00285 Label_5->setFocusPolicy(Qt::NoFocus);
00286 Label_5->setLineWidth(1);
00287 Label_5->setTextFormat(Qt::AutoText);
00288 Label_5->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00289
00290 gridLayout2->addWidget(Label_5, 1, 0, 1, 1);
00291
00292
00293 gridLayout->addWidget(groupBox, 0, 0, 1, 2);
00294
00295 QWidget::setTabOrder(max_iterations_lineedit, refresh_iterations_lineedit);
00296 QWidget::setTabOrder(refresh_iterations_lineedit, max_grad_lineedit);
00297 QWidget::setTabOrder(max_grad_lineedit, energy_difference_lineedit);
00298 QWidget::setTabOrder(energy_difference_lineedit, useAmberRadioButton);
00299 QWidget::setTabOrder(useAmberRadioButton, useCharmmRadioButton);
00300 QWidget::setTabOrder(useCharmmRadioButton, advanced_button);
00301 QWidget::setTabOrder(advanced_button, useMMFF94RadioButton);
00302 QWidget::setTabOrder(useMMFF94RadioButton, start_button);
00303 QWidget::setTabOrder(start_button, cancel_button);
00304
00305 retranslateUi(MinimizationDialogData);
00306
00307 QSize size(507, 354);
00308 size = size.expandedTo(MinimizationDialogData->minimumSizeHint());
00309 MinimizationDialogData->resize(size);
00310
00311
00312 QMetaObject::connectSlotsByName(MinimizationDialogData);
00313 }
00314
00315 void retranslateUi(QDialog *MinimizationDialogData)
00316 {
00317 MinimizationDialogData->setWindowTitle(QApplication::translate("MinimizationDialogData", "Energy Minimization", 0, QApplication::UnicodeUTF8));
00318 minimization_group->setTitle(QApplication::translate("MinimizationDialogData", "Algorithm", 0, QApplication::UnicodeUTF8));
00319 steepest_button->setText(QApplication::translate("MinimizationDialogData", "Steepest Descent", 0, QApplication::UnicodeUTF8));
00320 conjugate_button->setText(QApplication::translate("MinimizationDialogData", "Conjugate Gradient", 0, QApplication::UnicodeUTF8));
00321 SLBFGS_button->setText(QApplication::translate("MinimizationDialogData", "L-BFGS", 0, QApplication::UnicodeUTF8));
00322 SLVMM_button->setText(QApplication::translate("MinimizationDialogData", "Shifted LVMM", 0, QApplication::UnicodeUTF8));
00323 cancel_button->setToolTip(QApplication::translate("MinimizationDialogData", "Close window without energy minimization", 0, QApplication::UnicodeUTF8));
00324 cancel_button->setText(QApplication::translate("MinimizationDialogData", "Cancel", 0, QApplication::UnicodeUTF8));
00325 cancel_button->setShortcut(QString());
00326 start_button->setToolTip(QApplication::translate("MinimizationDialogData", "Start minimization", 0, QApplication::UnicodeUTF8));
00327 start_button->setText(QApplication::translate("MinimizationDialogData", "&Minimize", 0, QApplication::UnicodeUTF8));
00328 start_button->setShortcut(QApplication::translate("MinimizationDialogData", "Alt+M", 0, QApplication::UnicodeUTF8));
00329 groupBox_2->setTitle(QApplication::translate("MinimizationDialogData", "Force Field", 0, QApplication::UnicodeUTF8));
00330 useAmberRadioButton->setText(QApplication::translate("MinimizationDialogData", "AMBER", 0, QApplication::UnicodeUTF8));
00331 useAmberRadioButton->setShortcut(QString());
00332 useCharmmRadioButton->setText(QApplication::translate("MinimizationDialogData", "CHARMM", 0, QApplication::UnicodeUTF8));
00333 useCharmmRadioButton->setShortcut(QString());
00334 useMMFF94RadioButton->setText(QApplication::translate("MinimizationDialogData", "MMFF94", 0, QApplication::UnicodeUTF8));
00335 useMMFF94RadioButton->setShortcut(QString());
00336 advanced_button->setToolTip(QApplication::translate("MinimizationDialogData", "Edit force field options", 0, QApplication::UnicodeUTF8));
00337 advanced_button->setText(QApplication::translate("MinimizationDialogData", "&Force field options", 0, QApplication::UnicodeUTF8));
00338 advanced_button->setShortcut(QApplication::translate("MinimizationDialogData", "Alt+F", 0, QApplication::UnicodeUTF8));
00339 groupBox->setTitle(QApplication::translate("MinimizationDialogData", "Options", 0, QApplication::UnicodeUTF8));
00340 Label_7->setText(QApplication::translate("MinimizationDialogData", "kJ/(mol \303\205)", 0, QApplication::UnicodeUTF8));
00341 Label_11->setText(QApplication::translate("MinimizationDialogData", "iterations", 0, QApplication::UnicodeUTF8));
00342 Label_6->setText(QApplication::translate("MinimizationDialogData", "Maximum gradient for convergence", 0, QApplication::UnicodeUTF8));
00343 Label_4->setText(QApplication::translate("MinimizationDialogData", "Maximum number of iterations", 0, QApplication::UnicodeUTF8));
00344 Label_13->setText(QApplication::translate("MinimizationDialogData", "kJ/mol", 0, QApplication::UnicodeUTF8));
00345 refresh_iterations_lineedit->setToolTip(QApplication::translate("MinimizationDialogData", "Number of iterations made for energy minimization", 0, QApplication::UnicodeUTF8));
00346 refresh_iterations_lineedit->setText(QApplication::translate("MinimizationDialogData", "10", 0, QApplication::UnicodeUTF8));
00347 energy_difference_lineedit->setText(QApplication::translate("MinimizationDialogData", "0.0001", 0, QApplication::UnicodeUTF8));
00348 max_grad_lineedit->setText(QApplication::translate("MinimizationDialogData", "0.5", 0, QApplication::UnicodeUTF8));
00349 Label_12->setText(QApplication::translate("MinimizationDialogData", "Maximum energy difference", 0, QApplication::UnicodeUTF8));
00350 max_iterations_lineedit->setText(QApplication::translate("MinimizationDialogData", "500", 0, QApplication::UnicodeUTF8));
00351 Label_5->setText(QApplication::translate("MinimizationDialogData", "Redraw screen after", 0, QApplication::UnicodeUTF8));
00352 Q_UNUSED(MinimizationDialogData);
00353 }
00354
00355 };
00356
00357 namespace Ui {
00358 class MinimizationDialogData: public Ui_MinimizationDialogData {};
00359 }
00360
00361 #endif // MINIMIZATIONDIALOGDATA_H
