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