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00010 #ifndef FDPBDIALOGDATA_H
00011 #define FDPBDIALOGDATA_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/QCheckBox>
00019 #include <QtGui/QDialog>
00020 #include <QtGui/QGridLayout>
00021 #include <QtGui/QGroupBox>
00022 #include <QtGui/QHBoxLayout>
00023 #include <QtGui/QLabel>
00024 #include <QtGui/QLineEdit>
00025 #include <QtGui/QPushButton>
00026 #include <QtGui/QRadioButton>
00027 #include <QtGui/QSpacerItem>
00028 #include <QtGui/QVBoxLayout>
00029
00030 class Ui_FDPBDialogData
00031 {
00032 public:
00033 QGridLayout *gridLayout;
00034 QGridLayout *gridLayout1;
00035 QGroupBox *buttonGroup3;
00036 QVBoxLayout *vboxLayout;
00037 QCheckBox *add_hydrogens;
00038 QCheckBox *normalize_names;
00039 QCheckBox *build_bonds;
00040 QCheckBox *assign_radii;
00041 QCheckBox *assign_charges;
00042 QGroupBox *groupBox4;
00043 QGridLayout *gridLayout2;
00044 QGroupBox *boundary_group;
00045 QGridLayout *gridLayout3;
00046 QRadioButton *boundary_focusing;
00047 QRadioButton *boundary_zero;
00048 QRadioButton *boundary_dipole;
00049 QRadioButton *boundary_debye;
00050 QRadioButton *boundary_coulomb;
00051 QGroupBox *charge_distribution_group;
00052 QGridLayout *gridLayout4;
00053 QRadioButton *charge_trilinear;
00054 QRadioButton *charge_uniform;
00055 QGroupBox *smoothing_group;
00056 QGridLayout *gridLayout5;
00057 QRadioButton *smoothing_none;
00058 QRadioButton *smoothing_uniform;
00059 QRadioButton *smoothing_harmonic;
00060 QGridLayout *gridLayout6;
00061 QLineEdit *max_iterations;
00062 QLabel *textLabel9;
00063 QLabel *textLabel6;
00064 QLabel *textLabel7;
00065 QLineEdit *dc_solvent;
00066 QLineEdit *temperature;
00067 QLabel *textLabel1;
00068 QLabel *textLabel5;
00069 QLineEdit *ion_radius;
00070 QLineEdit *spacing;
00071 QLineEdit *ionic_strenght;
00072 QLabel *textLabel4;
00073 QLabel *textLabel2;
00074 QLineEdit *dc_interior;
00075 QLineEdit *border;
00076 QLineEdit *probe_radius;
00077 QLabel *textLabel8;
00078 QLabel *textLabel10;
00079 QSpacerItem *spacerItem;
00080 QHBoxLayout *hboxLayout;
00081 QPushButton *ok_button;
00082 QPushButton *cancel_button;
00083 QPushButton *reset_button;
00084 QSpacerItem *spacerItem1;
00085 QHBoxLayout *hboxLayout1;
00086 QGroupBox *radii_group;
00087 QGridLayout *gridLayout7;
00088 QLineEdit *radii_rules_lineedit;
00089 QRadioButton *radii_data_button;
00090 QPushButton *radii_data_browse;
00091 QLineEdit *radii_data_lineedit;
00092 QPushButton *radii_rules_browse;
00093 QRadioButton *radii_rules_button;
00094 QGroupBox *charges_group;
00095 QGridLayout *gridLayout8;
00096 QRadioButton *charges_rules_button;
00097 QPushButton *charges_rules_browse;
00098 QLineEdit *charges_rules_lineedit;
00099 QPushButton *charges_data_browse;
00100 QLineEdit *charges_data_lineedit;
00101 QRadioButton *charges_data_button;
00102 QSpacerItem *spacerItem2;
00103
00104 void setupUi(QDialog *FDPBDialogData)
00105 {
00106 FDPBDialogData->setObjectName(QString::fromUtf8("FDPBDialogData"));
00107 gridLayout = new QGridLayout(FDPBDialogData);
00108 gridLayout->setSpacing(6);
00109 gridLayout->setMargin(9);
00110 gridLayout->setObjectName(QString::fromUtf8("gridLayout"));
00111 gridLayout1 = new QGridLayout();
00112 gridLayout1->setSpacing(6);
00113 gridLayout1->setMargin(0);
00114 gridLayout1->setObjectName(QString::fromUtf8("gridLayout1"));
00115 buttonGroup3 = new QGroupBox(FDPBDialogData);
00116 buttonGroup3->setObjectName(QString::fromUtf8("buttonGroup3"));
00117 vboxLayout = new QVBoxLayout(buttonGroup3);
00118 vboxLayout->setSpacing(6);
00119 vboxLayout->setMargin(9);
00120 vboxLayout->setObjectName(QString::fromUtf8("vboxLayout"));
00121 add_hydrogens = new QCheckBox(buttonGroup3);
00122 add_hydrogens->setObjectName(QString::fromUtf8("add_hydrogens"));
00123
00124 vboxLayout->addWidget(add_hydrogens);
00125
00126 normalize_names = new QCheckBox(buttonGroup3);
00127 normalize_names->setObjectName(QString::fromUtf8("normalize_names"));
00128
00129 vboxLayout->addWidget(normalize_names);
00130
00131 build_bonds = new QCheckBox(buttonGroup3);
00132 build_bonds->setObjectName(QString::fromUtf8("build_bonds"));
00133
00134 vboxLayout->addWidget(build_bonds);
00135
00136 assign_radii = new QCheckBox(buttonGroup3);
00137 assign_radii->setObjectName(QString::fromUtf8("assign_radii"));
00138 assign_radii->setChecked(true);
00139
00140 vboxLayout->addWidget(assign_radii);
00141
00142 assign_charges = new QCheckBox(buttonGroup3);
00143 assign_charges->setObjectName(QString::fromUtf8("assign_charges"));
00144 assign_charges->setChecked(true);
00145
00146 vboxLayout->addWidget(assign_charges);
00147
00148
00149 gridLayout1->addWidget(buttonGroup3, 0, 1, 1, 1);
00150
00151 groupBox4 = new QGroupBox(FDPBDialogData);
00152 groupBox4->setObjectName(QString::fromUtf8("groupBox4"));
00153 gridLayout2 = new QGridLayout(groupBox4);
00154 gridLayout2->setSpacing(6);
00155 gridLayout2->setMargin(9);
00156 gridLayout2->setObjectName(QString::fromUtf8("gridLayout2"));
00157 boundary_group = new QGroupBox(groupBox4);
00158 boundary_group->setObjectName(QString::fromUtf8("boundary_group"));
00159 QSizePolicy sizePolicy(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(7));
00160 sizePolicy.setHorizontalStretch(0);
00161 sizePolicy.setVerticalStretch(0);
00162 sizePolicy.setHeightForWidth(boundary_group->sizePolicy().hasHeightForWidth());
00163 boundary_group->setSizePolicy(sizePolicy);
00164 gridLayout3 = new QGridLayout(boundary_group);
00165 gridLayout3->setSpacing(4);
00166 gridLayout3->setMargin(5);
00167 gridLayout3->setObjectName(QString::fromUtf8("gridLayout3"));
00168 boundary_focusing = new QRadioButton(boundary_group);
00169 boundary_focusing->setObjectName(QString::fromUtf8("boundary_focusing"));
00170 boundary_focusing->setMinimumSize(QSize(130, 0));
00171 boundary_focusing->setMaximumSize(QSize(130, 32767));
00172 boundary_focusing->setChecked(false);
00173
00174 gridLayout3->addWidget(boundary_focusing, 4, 0, 1, 1);
00175
00176 boundary_zero = new QRadioButton(boundary_group);
00177 boundary_zero->setObjectName(QString::fromUtf8("boundary_zero"));
00178 boundary_zero->setMinimumSize(QSize(130, 0));
00179 boundary_zero->setMaximumSize(QSize(130, 32767));
00180 boundary_zero->setChecked(false);
00181
00182 gridLayout3->addWidget(boundary_zero, 3, 0, 1, 1);
00183
00184 boundary_dipole = new QRadioButton(boundary_group);
00185 boundary_dipole->setObjectName(QString::fromUtf8("boundary_dipole"));
00186 boundary_dipole->setMinimumSize(QSize(130, 0));
00187 boundary_dipole->setMaximumSize(QSize(130, 32767));
00188 boundary_dipole->setChecked(true);
00189
00190 gridLayout3->addWidget(boundary_dipole, 0, 0, 1, 1);
00191
00192 boundary_debye = new QRadioButton(boundary_group);
00193 boundary_debye->setObjectName(QString::fromUtf8("boundary_debye"));
00194 boundary_debye->setMinimumSize(QSize(130, 0));
00195 boundary_debye->setMaximumSize(QSize(130, 32767));
00196
00197 gridLayout3->addWidget(boundary_debye, 1, 0, 1, 1);
00198
00199 boundary_coulomb = new QRadioButton(boundary_group);
00200 boundary_coulomb->setObjectName(QString::fromUtf8("boundary_coulomb"));
00201 boundary_coulomb->setMinimumSize(QSize(130, 0));
00202 boundary_coulomb->setMaximumSize(QSize(130, 32767));
00203
00204 gridLayout3->addWidget(boundary_coulomb, 2, 0, 1, 1);
00205
00206
00207 gridLayout2->addWidget(boundary_group, 0, 2, 1, 1);
00208
00209 charge_distribution_group = new QGroupBox(groupBox4);
00210 charge_distribution_group->setObjectName(QString::fromUtf8("charge_distribution_group"));
00211 QSizePolicy sizePolicy1(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(7));
00212 sizePolicy1.setHorizontalStretch(0);
00213 sizePolicy1.setVerticalStretch(0);
00214 sizePolicy1.setHeightForWidth(charge_distribution_group->sizePolicy().hasHeightForWidth());
00215 charge_distribution_group->setSizePolicy(sizePolicy1);
00216 gridLayout4 = new QGridLayout(charge_distribution_group);
00217 gridLayout4->setSpacing(4);
00218 gridLayout4->setMargin(5);
00219 gridLayout4->setObjectName(QString::fromUtf8("gridLayout4"));
00220 charge_trilinear = new QRadioButton(charge_distribution_group);
00221 charge_trilinear->setObjectName(QString::fromUtf8("charge_trilinear"));
00222 charge_trilinear->setChecked(true);
00223
00224 gridLayout4->addWidget(charge_trilinear, 1, 0, 1, 1);
00225
00226 charge_uniform = new QRadioButton(charge_distribution_group);
00227 charge_uniform->setObjectName(QString::fromUtf8("charge_uniform"));
00228 charge_uniform->setChecked(false);
00229
00230 gridLayout4->addWidget(charge_uniform, 0, 0, 1, 1);
00231
00232
00233 gridLayout2->addWidget(charge_distribution_group, 2, 2, 1, 1);
00234
00235 smoothing_group = new QGroupBox(groupBox4);
00236 smoothing_group->setObjectName(QString::fromUtf8("smoothing_group"));
00237 QSizePolicy sizePolicy2(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(7));
00238 sizePolicy2.setHorizontalStretch(0);
00239 sizePolicy2.setVerticalStretch(0);
00240 sizePolicy2.setHeightForWidth(smoothing_group->sizePolicy().hasHeightForWidth());
00241 smoothing_group->setSizePolicy(sizePolicy2);
00242 gridLayout5 = new QGridLayout(smoothing_group);
00243 gridLayout5->setSpacing(4);
00244 gridLayout5->setMargin(5);
00245 gridLayout5->setObjectName(QString::fromUtf8("gridLayout5"));
00246 smoothing_none = new QRadioButton(smoothing_group);
00247 smoothing_none->setObjectName(QString::fromUtf8("smoothing_none"));
00248 smoothing_none->setChecked(true);
00249
00250 gridLayout5->addWidget(smoothing_none, 0, 0, 1, 1);
00251
00252 smoothing_uniform = new QRadioButton(smoothing_group);
00253 smoothing_uniform->setObjectName(QString::fromUtf8("smoothing_uniform"));
00254
00255 gridLayout5->addWidget(smoothing_uniform, 1, 0, 1, 1);
00256
00257 smoothing_harmonic = new QRadioButton(smoothing_group);
00258 smoothing_harmonic->setObjectName(QString::fromUtf8("smoothing_harmonic"));
00259
00260 gridLayout5->addWidget(smoothing_harmonic, 2, 0, 1, 1);
00261
00262
00263 gridLayout2->addWidget(smoothing_group, 1, 2, 1, 1);
00264
00265 gridLayout6 = new QGridLayout();
00266 gridLayout6->setSpacing(6);
00267 gridLayout6->setMargin(0);
00268 gridLayout6->setObjectName(QString::fromUtf8("gridLayout6"));
00269 max_iterations = new QLineEdit(groupBox4);
00270 max_iterations->setObjectName(QString::fromUtf8("max_iterations"));
00271 max_iterations->setMaximumSize(QSize(80, 23));
00272 max_iterations->setAlignment(Qt::AlignRight);
00273
00274 gridLayout6->addWidget(max_iterations, 8, 1, 1, 1);
00275
00276 textLabel9 = new QLabel(groupBox4);
00277 textLabel9->setObjectName(QString::fromUtf8("textLabel9"));
00278 QSizePolicy sizePolicy3(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(5));
00279 sizePolicy3.setHorizontalStretch(0);
00280 sizePolicy3.setVerticalStretch(0);
00281 sizePolicy3.setHeightForWidth(textLabel9->sizePolicy().hasHeightForWidth());
00282 textLabel9->setSizePolicy(sizePolicy3);
00283 textLabel9->setMinimumSize(QSize(210, 0));
00284
00285 gridLayout6->addWidget(textLabel9, 2, 0, 1, 1);
00286
00287 textLabel6 = new QLabel(groupBox4);
00288 textLabel6->setObjectName(QString::fromUtf8("textLabel6"));
00289 QSizePolicy sizePolicy4(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(5));
00290 sizePolicy4.setHorizontalStretch(0);
00291 sizePolicy4.setVerticalStretch(0);
00292 sizePolicy4.setHeightForWidth(textLabel6->sizePolicy().hasHeightForWidth());
00293 textLabel6->setSizePolicy(sizePolicy4);
00294 textLabel6->setMinimumSize(QSize(210, 0));
00295
00296 gridLayout6->addWidget(textLabel6, 5, 0, 1, 1);
00297
00298 textLabel7 = new QLabel(groupBox4);
00299 textLabel7->setObjectName(QString::fromUtf8("textLabel7"));
00300 QSizePolicy sizePolicy5(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(5));
00301 sizePolicy5.setHorizontalStretch(0);
00302 sizePolicy5.setVerticalStretch(0);
00303 sizePolicy5.setHeightForWidth(textLabel7->sizePolicy().hasHeightForWidth());
00304 textLabel7->setSizePolicy(sizePolicy5);
00305 textLabel7->setMinimumSize(QSize(210, 0));
00306
00307 gridLayout6->addWidget(textLabel7, 4, 0, 1, 1);
00308
00309 dc_solvent = new QLineEdit(groupBox4);
00310 dc_solvent->setObjectName(QString::fromUtf8("dc_solvent"));
00311 dc_solvent->setMinimumSize(QSize(80, 0));
00312 dc_solvent->setMaximumSize(QSize(80, 23));
00313 dc_solvent->setAlignment(Qt::AlignRight);
00314
00315 gridLayout6->addWidget(dc_solvent, 0, 1, 1, 1);
00316
00317 temperature = new QLineEdit(groupBox4);
00318 temperature->setObjectName(QString::fromUtf8("temperature"));
00319 temperature->setMaximumSize(QSize(80, 23));
00320 temperature->setAlignment(Qt::AlignRight);
00321
00322 gridLayout6->addWidget(temperature, 7, 1, 1, 1);
00323
00324 textLabel1 = new QLabel(groupBox4);
00325 textLabel1->setObjectName(QString::fromUtf8("textLabel1"));
00326 QSizePolicy sizePolicy6(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(5));
00327 sizePolicy6.setHorizontalStretch(0);
00328 sizePolicy6.setVerticalStretch(0);
00329 sizePolicy6.setHeightForWidth(textLabel1->sizePolicy().hasHeightForWidth());
00330 textLabel1->setSizePolicy(sizePolicy6);
00331 textLabel1->setMinimumSize(QSize(210, 0));
00332
00333 gridLayout6->addWidget(textLabel1, 8, 0, 1, 1);
00334
00335 textLabel5 = new QLabel(groupBox4);
00336 textLabel5->setObjectName(QString::fromUtf8("textLabel5"));
00337 QSizePolicy sizePolicy7(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(5));
00338 sizePolicy7.setHorizontalStretch(0);
00339 sizePolicy7.setVerticalStretch(0);
00340 sizePolicy7.setHeightForWidth(textLabel5->sizePolicy().hasHeightForWidth());
00341 textLabel5->setSizePolicy(sizePolicy7);
00342 textLabel5->setMinimumSize(QSize(210, 0));
00343
00344 gridLayout6->addWidget(textLabel5, 6, 0, 1, 1);
00345
00346 ion_radius = new QLineEdit(groupBox4);
00347 ion_radius->setObjectName(QString::fromUtf8("ion_radius"));
00348 ion_radius->setMaximumSize(QSize(80, 23));
00349 ion_radius->setAlignment(Qt::AlignRight);
00350
00351 gridLayout6->addWidget(ion_radius, 4, 1, 1, 1);
00352
00353 spacing = new QLineEdit(groupBox4);
00354 spacing->setObjectName(QString::fromUtf8("spacing"));
00355 spacing->setMaximumSize(QSize(80, 23));
00356 spacing->setAlignment(Qt::AlignRight);
00357
00358 gridLayout6->addWidget(spacing, 5, 1, 1, 1);
00359
00360 ionic_strenght = new QLineEdit(groupBox4);
00361 ionic_strenght->setObjectName(QString::fromUtf8("ionic_strenght"));
00362 ionic_strenght->setMaximumSize(QSize(80, 23));
00363 ionic_strenght->setAlignment(Qt::AlignRight);
00364
00365 gridLayout6->addWidget(ionic_strenght, 3, 1, 1, 1);
00366
00367 textLabel4 = new QLabel(groupBox4);
00368 textLabel4->setObjectName(QString::fromUtf8("textLabel4"));
00369 QSizePolicy sizePolicy8(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(5));
00370 sizePolicy8.setHorizontalStretch(0);
00371 sizePolicy8.setVerticalStretch(0);
00372 sizePolicy8.setHeightForWidth(textLabel4->sizePolicy().hasHeightForWidth());
00373 textLabel4->setSizePolicy(sizePolicy8);
00374 textLabel4->setMinimumSize(QSize(210, 0));
00375
00376 gridLayout6->addWidget(textLabel4, 7, 0, 1, 1);
00377
00378 textLabel2 = new QLabel(groupBox4);
00379 textLabel2->setObjectName(QString::fromUtf8("textLabel2"));
00380 QSizePolicy sizePolicy9(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(5));
00381 sizePolicy9.setHorizontalStretch(0);
00382 sizePolicy9.setVerticalStretch(0);
00383 sizePolicy9.setHeightForWidth(textLabel2->sizePolicy().hasHeightForWidth());
00384 textLabel2->setSizePolicy(sizePolicy9);
00385 textLabel2->setMinimumSize(QSize(210, 0));
00386
00387 gridLayout6->addWidget(textLabel2, 0, 0, 1, 1);
00388
00389 dc_interior = new QLineEdit(groupBox4);
00390 dc_interior->setObjectName(QString::fromUtf8("dc_interior"));
00391 dc_interior->setMaximumSize(QSize(80, 23));
00392 dc_interior->setAlignment(Qt::AlignRight);
00393
00394 gridLayout6->addWidget(dc_interior, 1, 1, 1, 1);
00395
00396 border = new QLineEdit(groupBox4);
00397 border->setObjectName(QString::fromUtf8("border"));
00398 border->setMaximumSize(QSize(80, 23));
00399 border->setAlignment(Qt::AlignRight);
00400
00401 gridLayout6->addWidget(border, 6, 1, 1, 1);
00402
00403 probe_radius = new QLineEdit(groupBox4);
00404 probe_radius->setObjectName(QString::fromUtf8("probe_radius"));
00405 probe_radius->setMaximumSize(QSize(80, 23));
00406 probe_radius->setAlignment(Qt::AlignRight);
00407
00408 gridLayout6->addWidget(probe_radius, 2, 1, 1, 1);
00409
00410 textLabel8 = new QLabel(groupBox4);
00411 textLabel8->setObjectName(QString::fromUtf8("textLabel8"));
00412 QSizePolicy sizePolicy10(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(5));
00413 sizePolicy10.setHorizontalStretch(0);
00414 sizePolicy10.setVerticalStretch(0);
00415 sizePolicy10.setHeightForWidth(textLabel8->sizePolicy().hasHeightForWidth());
00416 textLabel8->setSizePolicy(sizePolicy10);
00417 textLabel8->setMinimumSize(QSize(210, 0));
00418
00419 gridLayout6->addWidget(textLabel8, 3, 0, 1, 1);
00420
00421 textLabel10 = new QLabel(groupBox4);
00422 textLabel10->setObjectName(QString::fromUtf8("textLabel10"));
00423 QSizePolicy sizePolicy11(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(5));
00424 sizePolicy11.setHorizontalStretch(0);
00425 sizePolicy11.setVerticalStretch(0);
00426 sizePolicy11.setHeightForWidth(textLabel10->sizePolicy().hasHeightForWidth());
00427 textLabel10->setSizePolicy(sizePolicy11);
00428 textLabel10->setMinimumSize(QSize(210, 0));
00429
00430 gridLayout6->addWidget(textLabel10, 1, 0, 1, 1);
00431
00432
00433 gridLayout2->addLayout(gridLayout6, 0, 0, 3, 1);
00434
00435 spacerItem = new QSpacerItem(22, 20, QSizePolicy::MinimumExpanding, QSizePolicy::Minimum);
00436
00437 gridLayout2->addItem(spacerItem, 0, 1, 2, 1);
00438
00439
00440 gridLayout1->addWidget(groupBox4, 0, 0, 1, 1);
00441
00442
00443 gridLayout->addLayout(gridLayout1, 0, 0, 1, 2);
00444
00445 hboxLayout = new QHBoxLayout();
00446 hboxLayout->setSpacing(6);
00447 hboxLayout->setMargin(0);
00448 hboxLayout->setObjectName(QString::fromUtf8("hboxLayout"));
00449 ok_button = new QPushButton(FDPBDialogData);
00450 ok_button->setObjectName(QString::fromUtf8("ok_button"));
00451 QSizePolicy sizePolicy12(static_cast<QSizePolicy::Policy>(1), static_cast<QSizePolicy::Policy>(7));
00452 sizePolicy12.setHorizontalStretch(0);
00453 sizePolicy12.setVerticalStretch(0);
00454 sizePolicy12.setHeightForWidth(ok_button->sizePolicy().hasHeightForWidth());
00455 ok_button->setSizePolicy(sizePolicy12);
00456 ok_button->setMinimumSize(QSize(90, 30));
00457 ok_button->setMaximumSize(QSize(32767, 30));
00458 ok_button->setDefault(true);
00459
00460 hboxLayout->addWidget(ok_button);
00461
00462 cancel_button = new QPushButton(FDPBDialogData);
00463 cancel_button->setObjectName(QString::fromUtf8("cancel_button"));
00464 QSizePolicy sizePolicy13(static_cast<QSizePolicy::Policy>(1), static_cast<QSizePolicy::Policy>(7));
00465 sizePolicy13.setHorizontalStretch(0);
00466 sizePolicy13.setVerticalStretch(0);
00467 sizePolicy13.setHeightForWidth(cancel_button->sizePolicy().hasHeightForWidth());
00468 cancel_button->setSizePolicy(sizePolicy13);
00469 cancel_button->setMinimumSize(QSize(90, 30));
00470 cancel_button->setMaximumSize(QSize(32767, 30));
00471
00472 hboxLayout->addWidget(cancel_button);
00473
00474 reset_button = new QPushButton(FDPBDialogData);
00475 reset_button->setObjectName(QString::fromUtf8("reset_button"));
00476 QSizePolicy sizePolicy14(static_cast<QSizePolicy::Policy>(1), static_cast<QSizePolicy::Policy>(7));
00477 sizePolicy14.setHorizontalStretch(0);
00478 sizePolicy14.setVerticalStretch(0);
00479 sizePolicy14.setHeightForWidth(reset_button->sizePolicy().hasHeightForWidth());
00480 reset_button->setSizePolicy(sizePolicy14);
00481 reset_button->setMinimumSize(QSize(90, 30));
00482 reset_button->setMaximumSize(QSize(32767, 30));
00483
00484 hboxLayout->addWidget(reset_button);
00485
00486
00487 gridLayout->addLayout(hboxLayout, 4, 0, 1, 2);
00488
00489 spacerItem1 = new QSpacerItem(20, 11, QSizePolicy::Minimum, QSizePolicy::Minimum);
00490
00491 gridLayout->addItem(spacerItem1, 3, 0, 1, 1);
00492
00493 hboxLayout1 = new QHBoxLayout();
00494 hboxLayout1->setSpacing(6);
00495 hboxLayout1->setMargin(0);
00496 hboxLayout1->setObjectName(QString::fromUtf8("hboxLayout1"));
00497 radii_group = new QGroupBox(FDPBDialogData);
00498 radii_group->setObjectName(QString::fromUtf8("radii_group"));
00499 gridLayout7 = new QGridLayout(radii_group);
00500 gridLayout7->setSpacing(6);
00501 gridLayout7->setMargin(9);
00502 gridLayout7->setObjectName(QString::fromUtf8("gridLayout7"));
00503 radii_rules_lineedit = new QLineEdit(radii_group);
00504 radii_rules_lineedit->setObjectName(QString::fromUtf8("radii_rules_lineedit"));
00505 radii_rules_lineedit->setReadOnly(false);
00506
00507 gridLayout7->addWidget(radii_rules_lineedit, 1, 1, 1, 1);
00508
00509 radii_data_button = new QRadioButton(radii_group);
00510 radii_data_button->setObjectName(QString::fromUtf8("radii_data_button"));
00511 radii_data_button->setChecked(true);
00512
00513 gridLayout7->addWidget(radii_data_button, 0, 0, 1, 1);
00514
00515 radii_data_browse = new QPushButton(radii_group);
00516 radii_data_browse->setObjectName(QString::fromUtf8("radii_data_browse"));
00517
00518 gridLayout7->addWidget(radii_data_browse, 0, 2, 1, 1);
00519
00520 radii_data_lineedit = new QLineEdit(radii_group);
00521 radii_data_lineedit->setObjectName(QString::fromUtf8("radii_data_lineedit"));
00522
00523 gridLayout7->addWidget(radii_data_lineedit, 0, 1, 1, 1);
00524
00525 radii_rules_browse = new QPushButton(radii_group);
00526 radii_rules_browse->setObjectName(QString::fromUtf8("radii_rules_browse"));
00527
00528 gridLayout7->addWidget(radii_rules_browse, 1, 2, 1, 1);
00529
00530 radii_rules_button = new QRadioButton(radii_group);
00531 radii_rules_button->setObjectName(QString::fromUtf8("radii_rules_button"));
00532
00533 gridLayout7->addWidget(radii_rules_button, 1, 0, 1, 1);
00534
00535
00536 hboxLayout1->addWidget(radii_group);
00537
00538 charges_group = new QGroupBox(FDPBDialogData);
00539 charges_group->setObjectName(QString::fromUtf8("charges_group"));
00540 gridLayout8 = new QGridLayout(charges_group);
00541 gridLayout8->setSpacing(6);
00542 gridLayout8->setMargin(9);
00543 gridLayout8->setObjectName(QString::fromUtf8("gridLayout8"));
00544 charges_rules_button = new QRadioButton(charges_group);
00545 charges_rules_button->setObjectName(QString::fromUtf8("charges_rules_button"));
00546
00547 gridLayout8->addWidget(charges_rules_button, 1, 0, 1, 1);
00548
00549 charges_rules_browse = new QPushButton(charges_group);
00550 charges_rules_browse->setObjectName(QString::fromUtf8("charges_rules_browse"));
00551
00552 gridLayout8->addWidget(charges_rules_browse, 1, 2, 1, 1);
00553
00554 charges_rules_lineedit = new QLineEdit(charges_group);
00555 charges_rules_lineedit->setObjectName(QString::fromUtf8("charges_rules_lineedit"));
00556 charges_rules_lineedit->setReadOnly(false);
00557
00558 gridLayout8->addWidget(charges_rules_lineedit, 1, 1, 1, 1);
00559
00560 charges_data_browse = new QPushButton(charges_group);
00561 charges_data_browse->setObjectName(QString::fromUtf8("charges_data_browse"));
00562
00563 gridLayout8->addWidget(charges_data_browse, 0, 2, 1, 1);
00564
00565 charges_data_lineedit = new QLineEdit(charges_group);
00566 charges_data_lineedit->setObjectName(QString::fromUtf8("charges_data_lineedit"));
00567
00568 gridLayout8->addWidget(charges_data_lineedit, 0, 1, 1, 1);
00569
00570 charges_data_button = new QRadioButton(charges_group);
00571 charges_data_button->setObjectName(QString::fromUtf8("charges_data_button"));
00572 charges_data_button->setChecked(true);
00573
00574 gridLayout8->addWidget(charges_data_button, 0, 0, 1, 1);
00575
00576
00577 hboxLayout1->addWidget(charges_group);
00578
00579
00580 gridLayout->addLayout(hboxLayout1, 2, 0, 1, 2);
00581
00582 spacerItem2 = new QSpacerItem(20, 11, QSizePolicy::Minimum, QSizePolicy::Minimum);
00583
00584 gridLayout->addItem(spacerItem2, 1, 1, 1, 1);
00585
00586 QWidget::setTabOrder(dc_solvent, dc_interior);
00587 QWidget::setTabOrder(dc_interior, probe_radius);
00588 QWidget::setTabOrder(probe_radius, ionic_strenght);
00589 QWidget::setTabOrder(ionic_strenght, ion_radius);
00590 QWidget::setTabOrder(ion_radius, spacing);
00591 QWidget::setTabOrder(spacing, border);
00592 QWidget::setTabOrder(border, temperature);
00593 QWidget::setTabOrder(temperature, max_iterations);
00594 QWidget::setTabOrder(max_iterations, boundary_dipole);
00595 QWidget::setTabOrder(boundary_dipole, boundary_debye);
00596 QWidget::setTabOrder(boundary_debye, boundary_coulomb);
00597 QWidget::setTabOrder(boundary_coulomb, boundary_zero);
00598 QWidget::setTabOrder(boundary_zero, boundary_focusing);
00599 QWidget::setTabOrder(boundary_focusing, smoothing_none);
00600 QWidget::setTabOrder(smoothing_none, smoothing_uniform);
00601 QWidget::setTabOrder(smoothing_uniform, smoothing_harmonic);
00602 QWidget::setTabOrder(smoothing_harmonic, charge_uniform);
00603 QWidget::setTabOrder(charge_uniform, charge_trilinear);
00604 QWidget::setTabOrder(charge_trilinear, add_hydrogens);
00605 QWidget::setTabOrder(add_hydrogens, normalize_names);
00606 QWidget::setTabOrder(normalize_names, build_bonds);
00607 QWidget::setTabOrder(build_bonds, assign_radii);
00608 QWidget::setTabOrder(assign_radii, assign_charges);
00609 QWidget::setTabOrder(assign_charges, radii_data_button);
00610 QWidget::setTabOrder(radii_data_button, radii_data_lineedit);
00611 QWidget::setTabOrder(radii_data_lineedit, radii_data_browse);
00612 QWidget::setTabOrder(radii_data_browse, radii_rules_button);
00613 QWidget::setTabOrder(radii_rules_button, radii_rules_lineedit);
00614 QWidget::setTabOrder(radii_rules_lineedit, radii_rules_browse);
00615 QWidget::setTabOrder(radii_rules_browse, charges_data_button);
00616 QWidget::setTabOrder(charges_data_button, charges_data_lineedit);
00617 QWidget::setTabOrder(charges_data_lineedit, charges_data_browse);
00618 QWidget::setTabOrder(charges_data_browse, charges_rules_button);
00619 QWidget::setTabOrder(charges_rules_button, charges_rules_lineedit);
00620 QWidget::setTabOrder(charges_rules_lineedit, charges_rules_browse);
00621 QWidget::setTabOrder(charges_rules_browse, ok_button);
00622 QWidget::setTabOrder(ok_button, reset_button);
00623 QWidget::setTabOrder(reset_button, cancel_button);
00624
00625 retranslateUi(FDPBDialogData);
00626
00627 QSize size(772, 601);
00628 size = size.expandedTo(FDPBDialogData->minimumSizeHint());
00629 FDPBDialogData->resize(size);
00630
00631
00632 QMetaObject::connectSlotsByName(FDPBDialogData);
00633 }
00634
00635 void retranslateUi(QDialog *FDPBDialogData)
00636 {
00637 FDPBDialogData->setWindowTitle(QApplication::translate("FDPBDialogData", "FDPB options", 0, QApplication::UnicodeUTF8));
00638 buttonGroup3->setTitle(QApplication::translate("FDPBDialogData", "Structure Preparations", 0, QApplication::UnicodeUTF8));
00639 add_hydrogens->setText(QApplication::translate("FDPBDialogData", "add hydrogens", 0, QApplication::UnicodeUTF8));
00640 normalize_names->setText(QApplication::translate("FDPBDialogData", "normalize atom names", 0, QApplication::UnicodeUTF8));
00641 build_bonds->setText(QApplication::translate("FDPBDialogData", "build bonds", 0, QApplication::UnicodeUTF8));
00642 assign_radii->setText(QApplication::translate("FDPBDialogData", "assign radii", 0, QApplication::UnicodeUTF8));
00643 assign_charges->setText(QApplication::translate("FDPBDialogData", "assign charges", 0, QApplication::UnicodeUTF8));
00644 groupBox4->setTitle(QApplication::translate("FDPBDialogData", "FDPB Parameters", 0, QApplication::UnicodeUTF8));
00645 boundary_group->setTitle(QApplication::translate("FDPBDialogData", "Boundary Condition", 0, QApplication::UnicodeUTF8));
00646 boundary_focusing->setText(QApplication::translate("FDPBDialogData", "focusing", 0, QApplication::UnicodeUTF8));
00647 boundary_zero->setText(QApplication::translate("FDPBDialogData", "zero", 0, QApplication::UnicodeUTF8));
00648 boundary_dipole->setText(QApplication::translate("FDPBDialogData", "dipole", 0, QApplication::UnicodeUTF8));
00649 boundary_debye->setText(QApplication::translate("FDPBDialogData", "Debye", 0, QApplication::UnicodeUTF8));
00650 boundary_coulomb->setText(QApplication::translate("FDPBDialogData", "Coulomb", 0, QApplication::UnicodeUTF8));
00651 charge_distribution_group->setTitle(QApplication::translate("FDPBDialogData", "Charge Distribution", 0, QApplication::UnicodeUTF8));
00652 charge_trilinear->setText(QApplication::translate("FDPBDialogData", "trilinear", 0, QApplication::UnicodeUTF8));
00653 charge_uniform->setText(QApplication::translate("FDPBDialogData", "uniform", 0, QApplication::UnicodeUTF8));
00654 smoothing_group->setTitle(QApplication::translate("FDPBDialogData", "Dielectric Smoothing", 0, QApplication::UnicodeUTF8));
00655 smoothing_none->setText(QApplication::translate("FDPBDialogData", "none", 0, QApplication::UnicodeUTF8));
00656 smoothing_uniform->setText(QApplication::translate("FDPBDialogData", "uniform", 0, QApplication::UnicodeUTF8));
00657 smoothing_harmonic->setText(QApplication::translate("FDPBDialogData", "harmonic", 0, QApplication::UnicodeUTF8));
00658 max_iterations->setText(QApplication::translate("FDPBDialogData", "1000", 0, QApplication::UnicodeUTF8));
00659 textLabel9->setText(QApplication::translate("FDPBDialogData", "probe radius", 0, QApplication::UnicodeUTF8));
00660 textLabel6->setText(QApplication::translate("FDPBDialogData", "spacing", 0, QApplication::UnicodeUTF8));
00661 textLabel7->setText(QApplication::translate("FDPBDialogData", "ion radius", 0, QApplication::UnicodeUTF8));
00662 dc_solvent->setText(QApplication::translate("FDPBDialogData", "78.0", 0, QApplication::UnicodeUTF8));
00663 temperature->setText(QApplication::translate("FDPBDialogData", "298", 0, QApplication::UnicodeUTF8));
00664 textLabel1->setText(QApplication::translate("FDPBDialogData", "max iterations", 0, QApplication::UnicodeUTF8));
00665 textLabel5->setText(QApplication::translate("FDPBDialogData", "border", 0, QApplication::UnicodeUTF8));
00666 ion_radius->setText(QApplication::translate("FDPBDialogData", "2.0", 0, QApplication::UnicodeUTF8));
00667 spacing->setText(QApplication::translate("FDPBDialogData", "1.0", 0, QApplication::UnicodeUTF8));
00668 ionic_strenght->setText(QApplication::translate("FDPBDialogData", "0.0", 0, QApplication::UnicodeUTF8));
00669 textLabel4->setText(QApplication::translate("FDPBDialogData", "temperature", 0, QApplication::UnicodeUTF8));
00670 textLabel2->setText(QApplication::translate("FDPBDialogData", "dielectric constant of solvent", 0, QApplication::UnicodeUTF8));
00671 dc_interior->setText(QApplication::translate("FDPBDialogData", "2.0", 0, QApplication::UnicodeUTF8));
00672 border->setText(QApplication::translate("FDPBDialogData", "5.0", 0, QApplication::UnicodeUTF8));
00673 probe_radius->setText(QApplication::translate("FDPBDialogData", "1.4", 0, QApplication::UnicodeUTF8));
00674 textLabel8->setText(QApplication::translate("FDPBDialogData", "ionic strength", 0, QApplication::UnicodeUTF8));
00675 textLabel10->setText(QApplication::translate("FDPBDialogData", "dielectric constant of solute", 0, QApplication::UnicodeUTF8));
00676 ok_button->setText(QApplication::translate("FDPBDialogData", "OK", 0, QApplication::UnicodeUTF8));
00677 cancel_button->setText(QApplication::translate("FDPBDialogData", "Cancel", 0, QApplication::UnicodeUTF8));
00678 reset_button->setText(QApplication::translate("FDPBDialogData", "Defaults", 0, QApplication::UnicodeUTF8));
00679 radii_group->setTitle(QApplication::translate("FDPBDialogData", "Radius Assignment", 0, QApplication::UnicodeUTF8));
00680 radii_rules_lineedit->setText(QApplication::translate("FDPBDialogData", "solvation/PARSE.rul", 0, QApplication::UnicodeUTF8));
00681 radii_data_button->setText(QApplication::translate("FDPBDialogData", "from table", 0, QApplication::UnicodeUTF8));
00682 radii_data_browse->setText(QApplication::translate("FDPBDialogData", "Browse", 0, QApplication::UnicodeUTF8));
00683 radii_data_lineedit->setText(QApplication::translate("FDPBDialogData", "radii/PARSE.siz", 0, QApplication::UnicodeUTF8));
00684 radii_rules_browse->setText(QApplication::translate("FDPBDialogData", "Browse", 0, QApplication::UnicodeUTF8));
00685 radii_rules_button->setText(QApplication::translate("FDPBDialogData", "by rules", 0, QApplication::UnicodeUTF8));
00686 charges_group->setTitle(QApplication::translate("FDPBDialogData", "Charge Assignment", 0, QApplication::UnicodeUTF8));
00687 charges_rules_button->setText(QApplication::translate("FDPBDialogData", "by rules", 0, QApplication::UnicodeUTF8));
00688 charges_rules_browse->setText(QApplication::translate("FDPBDialogData", "Browse", 0, QApplication::UnicodeUTF8));
00689 charges_rules_lineedit->setText(QApplication::translate("FDPBDialogData", "solvation/PARSE.rul", 0, QApplication::UnicodeUTF8));
00690 charges_data_browse->setText(QApplication::translate("FDPBDialogData", "Browse", 0, QApplication::UnicodeUTF8));
00691 charges_data_lineedit->setText(QApplication::translate("FDPBDialogData", "charges/PARSE.crg", 0, QApplication::UnicodeUTF8));
00692 charges_data_button->setText(QApplication::translate("FDPBDialogData", "from table", 0, QApplication::UnicodeUTF8));
00693 Q_UNUSED(FDPBDialogData);
00694 }
00695
00696 };
00697
00698 namespace Ui {
00699 class FDPBDialogData: public Ui_FDPBDialogData {};
00700 }
00701
00702 #endif // FDPBDIALOGDATA_H
