BALL: charmmConfigurationDialogData.h Source File

00001 /********************************************************************************
00002 ** Form generated from reading ui file 'charmmConfigurationDialog.ui'
00003 **
00004 ** Created: Thu Aug 6 17:05:52 2009
00005 **      by: Qt User Interface Compiler version 4.4.0
00006 **
00007 ** WARNING! All changes made in this file will be lost when recompiling ui file!
00008 ********************************************************************************/
00009 
00010 #ifndef CHARMMCONFIGURATIONDIALOGDATA_H
00011 #define CHARMMCONFIGURATIONDIALOGDATA_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 
00028 QT_BEGIN_NAMESPACE
00029 
00030 class Ui_CharmmConfigurationDialogData
00031 {
00032 public:
00033     QGridLayout *gridLayout;
00034     QHBoxLayout *hboxLayout;
00035     QPushButton *close_button;
00036     QPushButton *cancel_button;
00037     QPushButton *reset_button;
00038     QGroupBox *CharmmFF_Options;
00039     QGridLayout *gridLayout1;
00040     QLabel *scaling_vdw_1_4_label;
00041     QLineEdit *solvation_cuton_line_edit;
00042     QLineEdit *electrostatic_cutoff_line_edit;
00043     QLabel *nonbonded_cutoff_label_2;
00044     QLineEdit *scaling_electrostatic_1_4_line_edit;
00045     QLineEdit *solvation_cutoff_line_edit;
00046     QLabel *nonbonded_cutoff_label_2_2_3_3;
00047     QLabel *solvation_cutoff_label;
00048     QLabel *scaling_electrostatic_1_4_label;
00049     QLabel *nonbonded_cutoff_label;
00050     QLabel *nonbonded_cutoff_label_2_2_3;
00051     QLineEdit *vdw_cutoff_line_edit;
00052     QLineEdit *nonbonded_cutoff_line_edit;
00053     QLineEdit *scaling_vdw_1_4_line_edit;
00054     QLabel *nonbonded_cutoff_label_2_2_3_2;
00055     QLineEdit *electrostatic_cuton_line_edit;
00056     QLabel *electrostatic_cutoff_label;
00057     QLineEdit *vdw_cuton_line_edit;
00058     QLabel *vdw_cutoff_label;
00059     QLabel *nonbonded_cutoff_label_2_4;
00060     QLabel *nonbonded_cutoff_label_2_3;
00061     QLabel *nonbonded_cutoff_label_2_2;
00062     QGroupBox *dielectric_group;
00063     QHBoxLayout *hboxLayout1;
00064     QRadioButton *constant_button;
00065     QRadioButton *distance_button;
00066     QGroupBox *groupBox;
00067     QGridLayout *gridLayout2;
00068     QCheckBox *use_eef1_checkBox;
00069     QCheckBox *NB_box;
00070     QCheckBox *itorsions_box;
00071     QCheckBox *torsions_box;
00072     QCheckBox *stretches_box;
00073     QCheckBox *bends_box;
00074     QGroupBox *check_options;
00075     QGridLayout *gridLayout3;
00076     QCheckBox *overwrite_typenames_checkBox;
00077     QCheckBox *assign_charges_checkBox;
00078     QCheckBox *assign_typenames_checkBox;
00079     QCheckBox *assign_types_checkBox;
00080     QCheckBox *overwrite_charges_checkBox;
00081     QGroupBox *groupBox21;
00082     QGridLayout *gridLayout4;
00083     QLabel *Label_10;
00084     QLineEdit *parameter_file_edit;
00085     QPushButton *browse_button;
00086     QGroupBox *groupBox20;
00087     QGridLayout *gridLayout5;
00088     QLineEdit *max_unassigned_atoms;
00089     QLabel *textLabel1;
00090 
00091     void setupUi(QDialog *CharmmConfigurationDialogData)
00092     {
00093     if (CharmmConfigurationDialogData->objectName().isEmpty())
00094         CharmmConfigurationDialogData->setObjectName(QString::fromUtf8("CharmmConfigurationDialogData"));
00095     CharmmConfigurationDialogData->resize(543, 618);
00096     CharmmConfigurationDialogData->setMinimumSize(QSize(0, 0));
00097     CharmmConfigurationDialogData->setMaximumSize(QSize(6778, 8900));
00098     gridLayout = new QGridLayout(CharmmConfigurationDialogData);
00099     gridLayout->setSpacing(5);
00100     gridLayout->setMargin(5);
00101     gridLayout->setObjectName(QString::fromUtf8("gridLayout"));
00102     hboxLayout = new QHBoxLayout();
00103     hboxLayout->setSpacing(6);
00104     hboxLayout->setMargin(0);
00105     hboxLayout->setObjectName(QString::fromUtf8("hboxLayout"));
00106     close_button = new QPushButton(CharmmConfigurationDialogData);
00107     close_button->setObjectName(QString::fromUtf8("close_button"));
00108     close_button->setMinimumSize(QSize(0, 30));
00109     close_button->setDefault(true);
00110 
00111     hboxLayout->addWidget(close_button);
00112 
00113     cancel_button = new QPushButton(CharmmConfigurationDialogData);
00114     cancel_button->setObjectName(QString::fromUtf8("cancel_button"));
00115     cancel_button->setMinimumSize(QSize(0, 30));
00116 
00117     hboxLayout->addWidget(cancel_button);
00118 
00119     reset_button = new QPushButton(CharmmConfigurationDialogData);
00120     reset_button->setObjectName(QString::fromUtf8("reset_button"));
00121     reset_button->setMinimumSize(QSize(0, 30));
00122 
00123     hboxLayout->addWidget(reset_button);
00124 
00125 
00126     gridLayout->addLayout(hboxLayout, 5, 0, 1, 2);
00127 
00128     CharmmFF_Options = new QGroupBox(CharmmConfigurationDialogData);
00129     CharmmFF_Options->setObjectName(QString::fromUtf8("CharmmFF_Options"));
00130     CharmmFF_Options->setMinimumSize(QSize(520, 0));
00131     CharmmFF_Options->setAlignment(Qt::AlignHCenter);
00132     gridLayout1 = new QGridLayout(CharmmFF_Options);
00133     gridLayout1->setSpacing(6);
00134     gridLayout1->setMargin(4);
00135     gridLayout1->setObjectName(QString::fromUtf8("gridLayout1"));
00136     scaling_vdw_1_4_label = new QLabel(CharmmFF_Options);
00137     scaling_vdw_1_4_label->setObjectName(QString::fromUtf8("scaling_vdw_1_4_label"));
00138     scaling_vdw_1_4_label->setMinimumSize(QSize(260, 0));
00139 
00140     gridLayout1->addWidget(scaling_vdw_1_4_label, 4, 0, 1, 1);
00141 
00142     solvation_cuton_line_edit = new QLineEdit(CharmmFF_Options);
00143     solvation_cuton_line_edit->setObjectName(QString::fromUtf8("solvation_cuton_line_edit"));
00144     solvation_cuton_line_edit->setMinimumSize(QSize(50, 25));
00145     solvation_cuton_line_edit->setMaximumSize(QSize(90, 32767));
00146     solvation_cuton_line_edit->setAlignment(Qt::AlignRight);
00147 
00148     gridLayout1->addWidget(solvation_cuton_line_edit, 3, 3, 1, 1);
00149 
00150     electrostatic_cutoff_line_edit = new QLineEdit(CharmmFF_Options);
00151     electrostatic_cutoff_line_edit->setObjectName(QString::fromUtf8("electrostatic_cutoff_line_edit"));
00152     electrostatic_cutoff_line_edit->setMinimumSize(QSize(50, 25));
00153     electrostatic_cutoff_line_edit->setMaximumSize(QSize(90, 32767));
00154     electrostatic_cutoff_line_edit->setAlignment(Qt::AlignRight);
00155 
00156     gridLayout1->addWidget(electrostatic_cutoff_line_edit, 2, 1, 1, 1);
00157 
00158     nonbonded_cutoff_label_2 = new QLabel(CharmmFF_Options);
00159     nonbonded_cutoff_label_2->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2"));
00160     QSizePolicy sizePolicy(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(5));
00161     sizePolicy.setHorizontalStretch(0);
00162     sizePolicy.setVerticalStretch(0);
00163     sizePolicy.setHeightForWidth(nonbonded_cutoff_label_2->sizePolicy().hasHeightForWidth());
00164     nonbonded_cutoff_label_2->setSizePolicy(sizePolicy);
00165     nonbonded_cutoff_label_2->setMinimumSize(QSize(25, 0));
00166     nonbonded_cutoff_label_2->setMaximumSize(QSize(30, 32767));
00167 
00168     gridLayout1->addWidget(nonbonded_cutoff_label_2, 0, 2, 1, 1);
00169 
00170     scaling_electrostatic_1_4_line_edit = new QLineEdit(CharmmFF_Options);
00171     scaling_electrostatic_1_4_line_edit->setObjectName(QString::fromUtf8("scaling_electrostatic_1_4_line_edit"));
00172     scaling_electrostatic_1_4_line_edit->setMinimumSize(QSize(50, 25));
00173     scaling_electrostatic_1_4_line_edit->setMaximumSize(QSize(90, 32767));
00174     scaling_electrostatic_1_4_line_edit->setAlignment(Qt::AlignRight);
00175 
00176     gridLayout1->addWidget(scaling_electrostatic_1_4_line_edit, 4, 1, 1, 1);
00177 
00178     solvation_cutoff_line_edit = new QLineEdit(CharmmFF_Options);
00179     solvation_cutoff_line_edit->setObjectName(QString::fromUtf8("solvation_cutoff_line_edit"));
00180     solvation_cutoff_line_edit->setMinimumSize(QSize(50, 25));
00181     solvation_cutoff_line_edit->setMaximumSize(QSize(90, 32767));
00182     solvation_cutoff_line_edit->setAlignment(Qt::AlignRight);
00183 
00184     gridLayout1->addWidget(solvation_cutoff_line_edit, 3, 1, 1, 1);
00185 
00186     nonbonded_cutoff_label_2_2_3_3 = new QLabel(CharmmFF_Options);
00187     nonbonded_cutoff_label_2_2_3_3->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_2_3_3"));
00188     sizePolicy.setHeightForWidth(nonbonded_cutoff_label_2_2_3_3->sizePolicy().hasHeightForWidth());
00189     nonbonded_cutoff_label_2_2_3_3->setSizePolicy(sizePolicy);
00190     nonbonded_cutoff_label_2_2_3_3->setMinimumSize(QSize(25, 0));
00191     nonbonded_cutoff_label_2_2_3_3->setMaximumSize(QSize(30, 32767));
00192 
00193     gridLayout1->addWidget(nonbonded_cutoff_label_2_2_3_3, 3, 2, 1, 1);
00194 
00195     solvation_cutoff_label = new QLabel(CharmmFF_Options);
00196     solvation_cutoff_label->setObjectName(QString::fromUtf8("solvation_cutoff_label"));
00197     solvation_cutoff_label->setMinimumSize(QSize(280, 0));
00198 
00199     gridLayout1->addWidget(solvation_cutoff_label, 3, 0, 1, 1);
00200 
00201     scaling_electrostatic_1_4_label = new QLabel(CharmmFF_Options);
00202     scaling_electrostatic_1_4_label->setObjectName(QString::fromUtf8("scaling_electrostatic_1_4_label"));
00203     scaling_electrostatic_1_4_label->setMinimumSize(QSize(260, 0));
00204 
00205     gridLayout1->addWidget(scaling_electrostatic_1_4_label, 5, 0, 1, 1);
00206 
00207     nonbonded_cutoff_label = new QLabel(CharmmFF_Options);
00208     nonbonded_cutoff_label->setObjectName(QString::fromUtf8("nonbonded_cutoff_label"));
00209     nonbonded_cutoff_label->setMinimumSize(QSize(260, 0));
00210 
00211     gridLayout1->addWidget(nonbonded_cutoff_label, 0, 0, 1, 1);
00212 
00213     nonbonded_cutoff_label_2_2_3 = new QLabel(CharmmFF_Options);
00214     nonbonded_cutoff_label_2_2_3->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_2_3"));
00215     sizePolicy.setHeightForWidth(nonbonded_cutoff_label_2_2_3->sizePolicy().hasHeightForWidth());
00216     nonbonded_cutoff_label_2_2_3->setSizePolicy(sizePolicy);
00217     nonbonded_cutoff_label_2_2_3->setMinimumSize(QSize(25, 0));
00218     nonbonded_cutoff_label_2_2_3->setMaximumSize(QSize(30, 32767));
00219 
00220     gridLayout1->addWidget(nonbonded_cutoff_label_2_2_3, 1, 2, 1, 1);
00221 
00222     vdw_cutoff_line_edit = new QLineEdit(CharmmFF_Options);
00223     vdw_cutoff_line_edit->setObjectName(QString::fromUtf8("vdw_cutoff_line_edit"));
00224     vdw_cutoff_line_edit->setMinimumSize(QSize(50, 25));
00225     vdw_cutoff_line_edit->setMaximumSize(QSize(90, 32767));
00226     vdw_cutoff_line_edit->setFrame(true);
00227     vdw_cutoff_line_edit->setEchoMode(QLineEdit::Normal);
00228     vdw_cutoff_line_edit->setAlignment(Qt::AlignRight);
00229 
00230     gridLayout1->addWidget(vdw_cutoff_line_edit, 1, 1, 1, 1);
00231 
00232     nonbonded_cutoff_line_edit = new QLineEdit(CharmmFF_Options);
00233     nonbonded_cutoff_line_edit->setObjectName(QString::fromUtf8("nonbonded_cutoff_line_edit"));
00234     nonbonded_cutoff_line_edit->setMinimumSize(QSize(50, 25));
00235     nonbonded_cutoff_line_edit->setMaximumSize(QSize(90, 32767));
00236     nonbonded_cutoff_line_edit->setFocusPolicy(Qt::StrongFocus);
00237     nonbonded_cutoff_line_edit->setMaxLength(32767);
00238     nonbonded_cutoff_line_edit->setFrame(true);
00239     nonbonded_cutoff_line_edit->setEchoMode(QLineEdit::Normal);
00240     nonbonded_cutoff_line_edit->setAlignment(Qt::AlignRight);
00241 
00242     gridLayout1->addWidget(nonbonded_cutoff_line_edit, 0, 1, 1, 1);
00243 
00244     scaling_vdw_1_4_line_edit = new QLineEdit(CharmmFF_Options);
00245     scaling_vdw_1_4_line_edit->setObjectName(QString::fromUtf8("scaling_vdw_1_4_line_edit"));
00246     scaling_vdw_1_4_line_edit->setMinimumSize(QSize(50, 25));
00247     scaling_vdw_1_4_line_edit->setMaximumSize(QSize(90, 32767));
00248     scaling_vdw_1_4_line_edit->setAlignment(Qt::AlignRight);
00249 
00250     gridLayout1->addWidget(scaling_vdw_1_4_line_edit, 5, 1, 1, 1);
00251 
00252     nonbonded_cutoff_label_2_2_3_2 = new QLabel(CharmmFF_Options);
00253     nonbonded_cutoff_label_2_2_3_2->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_2_3_2"));
00254     sizePolicy.setHeightForWidth(nonbonded_cutoff_label_2_2_3_2->sizePolicy().hasHeightForWidth());
00255     nonbonded_cutoff_label_2_2_3_2->setSizePolicy(sizePolicy);
00256     nonbonded_cutoff_label_2_2_3_2->setMinimumSize(QSize(25, 0));
00257     nonbonded_cutoff_label_2_2_3_2->setMaximumSize(QSize(30, 32767));
00258 
00259     gridLayout1->addWidget(nonbonded_cutoff_label_2_2_3_2, 2, 2, 1, 1);
00260 
00261     electrostatic_cuton_line_edit = new QLineEdit(CharmmFF_Options);
00262     electrostatic_cuton_line_edit->setObjectName(QString::fromUtf8("electrostatic_cuton_line_edit"));
00263     electrostatic_cuton_line_edit->setMinimumSize(QSize(50, 25));
00264     electrostatic_cuton_line_edit->setMaximumSize(QSize(90, 32767));
00265     electrostatic_cuton_line_edit->setAlignment(Qt::AlignRight);
00266 
00267     gridLayout1->addWidget(electrostatic_cuton_line_edit, 2, 3, 1, 1);
00268 
00269     electrostatic_cutoff_label = new QLabel(CharmmFF_Options);
00270     electrostatic_cutoff_label->setObjectName(QString::fromUtf8("electrostatic_cutoff_label"));
00271     electrostatic_cutoff_label->setMinimumSize(QSize(260, 0));
00272 
00273     gridLayout1->addWidget(electrostatic_cutoff_label, 2, 0, 1, 1);
00274 
00275     vdw_cuton_line_edit = new QLineEdit(CharmmFF_Options);
00276     vdw_cuton_line_edit->setObjectName(QString::fromUtf8("vdw_cuton_line_edit"));
00277     vdw_cuton_line_edit->setMinimumSize(QSize(50, 25));
00278     vdw_cuton_line_edit->setMaximumSize(QSize(90, 32767));
00279     vdw_cuton_line_edit->setAlignment(Qt::AlignRight);
00280 
00281     gridLayout1->addWidget(vdw_cuton_line_edit, 1, 3, 1, 1);
00282 
00283     vdw_cutoff_label = new QLabel(CharmmFF_Options);
00284     vdw_cutoff_label->setObjectName(QString::fromUtf8("vdw_cutoff_label"));
00285     vdw_cutoff_label->setMinimumSize(QSize(260, 0));
00286 
00287     gridLayout1->addWidget(vdw_cutoff_label, 1, 0, 1, 1);
00288 
00289     nonbonded_cutoff_label_2_4 = new QLabel(CharmmFF_Options);
00290     nonbonded_cutoff_label_2_4->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_4"));
00291     sizePolicy.setHeightForWidth(nonbonded_cutoff_label_2_4->sizePolicy().hasHeightForWidth());
00292     nonbonded_cutoff_label_2_4->setSizePolicy(sizePolicy);
00293     nonbonded_cutoff_label_2_4->setMinimumSize(QSize(25, 0));
00294     nonbonded_cutoff_label_2_4->setMaximumSize(QSize(30, 32767));
00295 
00296     gridLayout1->addWidget(nonbonded_cutoff_label_2_4, 3, 4, 1, 1);
00297 
00298     nonbonded_cutoff_label_2_3 = new QLabel(CharmmFF_Options);
00299     nonbonded_cutoff_label_2_3->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_3"));
00300     sizePolicy.setHeightForWidth(nonbonded_cutoff_label_2_3->sizePolicy().hasHeightForWidth());
00301     nonbonded_cutoff_label_2_3->setSizePolicy(sizePolicy);
00302     nonbonded_cutoff_label_2_3->setMinimumSize(QSize(25, 0));
00303     nonbonded_cutoff_label_2_3->setMaximumSize(QSize(30, 32767));
00304 
00305     gridLayout1->addWidget(nonbonded_cutoff_label_2_3, 2, 4, 1, 1);
00306 
00307     nonbonded_cutoff_label_2_2 = new QLabel(CharmmFF_Options);
00308     nonbonded_cutoff_label_2_2->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_2"));
00309     sizePolicy.setHeightForWidth(nonbonded_cutoff_label_2_2->sizePolicy().hasHeightForWidth());
00310     nonbonded_cutoff_label_2_2->setSizePolicy(sizePolicy);
00311     nonbonded_cutoff_label_2_2->setMinimumSize(QSize(25, 0));
00312     nonbonded_cutoff_label_2_2->setMaximumSize(QSize(30, 32767));
00313 
00314     gridLayout1->addWidget(nonbonded_cutoff_label_2_2, 1, 4, 1, 1);
00315 
00316 
00317     gridLayout->addWidget(CharmmFF_Options, 4, 0, 1, 2);
00318 
00319     dielectric_group = new QGroupBox(CharmmConfigurationDialogData);
00320     dielectric_group->setObjectName(QString::fromUtf8("dielectric_group"));
00321     dielectric_group->setAlignment(Qt::AlignHCenter);
00322     hboxLayout1 = new QHBoxLayout(dielectric_group);
00323     hboxLayout1->setSpacing(6);
00324     hboxLayout1->setMargin(5);
00325     hboxLayout1->setObjectName(QString::fromUtf8("hboxLayout1"));
00326     constant_button = new QRadioButton(dielectric_group);
00327     constant_button->setObjectName(QString::fromUtf8("constant_button"));
00328     constant_button->setEnabled(true);
00329     constant_button->setChecked(false);
00330 
00331     hboxLayout1->addWidget(constant_button);
00332 
00333     distance_button = new QRadioButton(dielectric_group);
00334     distance_button->setObjectName(QString::fromUtf8("distance_button"));
00335     distance_button->setMinimumSize(QSize(165, 0));
00336     distance_button->setChecked(true);
00337 
00338     hboxLayout1->addWidget(distance_button);
00339 
00340 
00341     gridLayout->addWidget(dielectric_group, 3, 0, 1, 2);
00342 
00343     groupBox = new QGroupBox(CharmmConfigurationDialogData);
00344     groupBox->setObjectName(QString::fromUtf8("groupBox"));
00345     groupBox->setAlignment(Qt::AlignHCenter);
00346     gridLayout2 = new QGridLayout(groupBox);
00347     gridLayout2->setSpacing(6);
00348     gridLayout2->setMargin(9);
00349     gridLayout2->setObjectName(QString::fromUtf8("gridLayout2"));
00350     use_eef1_checkBox = new QCheckBox(groupBox);
00351     use_eef1_checkBox->setObjectName(QString::fromUtf8("use_eef1_checkBox"));
00352     use_eef1_checkBox->setChecked(true);
00353 
00354     gridLayout2->addWidget(use_eef1_checkBox, 2, 1, 1, 1);
00355 
00356     NB_box = new QCheckBox(groupBox);
00357     NB_box->setObjectName(QString::fromUtf8("NB_box"));
00358     NB_box->setChecked(true);
00359 
00360     gridLayout2->addWidget(NB_box, 1, 1, 1, 1);
00361 
00362     itorsions_box = new QCheckBox(groupBox);
00363     itorsions_box->setObjectName(QString::fromUtf8("itorsions_box"));
00364     itorsions_box->setChecked(true);
00365 
00366     gridLayout2->addWidget(itorsions_box, 0, 1, 1, 1);
00367 
00368     torsions_box = new QCheckBox(groupBox);
00369     torsions_box->setObjectName(QString::fromUtf8("torsions_box"));
00370     torsions_box->setChecked(true);
00371 
00372     gridLayout2->addWidget(torsions_box, 2, 0, 1, 1);
00373 
00374     stretches_box = new QCheckBox(groupBox);
00375     stretches_box->setObjectName(QString::fromUtf8("stretches_box"));
00376     stretches_box->setChecked(true);
00377 
00378     gridLayout2->addWidget(stretches_box, 0, 0, 1, 1);
00379 
00380     bends_box = new QCheckBox(groupBox);
00381     bends_box->setObjectName(QString::fromUtf8("bends_box"));
00382     bends_box->setChecked(true);
00383 
00384     gridLayout2->addWidget(bends_box, 1, 0, 1, 1);
00385 
00386 
00387     gridLayout->addWidget(groupBox, 2, 1, 1, 1);
00388 
00389     check_options = new QGroupBox(CharmmConfigurationDialogData);
00390     check_options->setObjectName(QString::fromUtf8("check_options"));
00391     check_options->setAlignment(Qt::AlignHCenter);
00392     gridLayout3 = new QGridLayout(check_options);
00393     gridLayout3->setSpacing(3);
00394     gridLayout3->setMargin(4);
00395     gridLayout3->setObjectName(QString::fromUtf8("gridLayout3"));
00396     overwrite_typenames_checkBox = new QCheckBox(check_options);
00397     overwrite_typenames_checkBox->setObjectName(QString::fromUtf8("overwrite_typenames_checkBox"));
00398     overwrite_typenames_checkBox->setChecked(true);
00399 
00400     gridLayout3->addWidget(overwrite_typenames_checkBox, 4, 0, 1, 1);
00401 
00402     assign_charges_checkBox = new QCheckBox(check_options);
00403     assign_charges_checkBox->setObjectName(QString::fromUtf8("assign_charges_checkBox"));
00404     assign_charges_checkBox->setChecked(true);
00405 
00406     gridLayout3->addWidget(assign_charges_checkBox, 0, 0, 1, 1);
00407 
00408     assign_typenames_checkBox = new QCheckBox(check_options);
00409     assign_typenames_checkBox->setObjectName(QString::fromUtf8("assign_typenames_checkBox"));
00410     assign_typenames_checkBox->setChecked(true);
00411 
00412     gridLayout3->addWidget(assign_typenames_checkBox, 1, 0, 1, 1);
00413 
00414     assign_types_checkBox = new QCheckBox(check_options);
00415     assign_types_checkBox->setObjectName(QString::fromUtf8("assign_types_checkBox"));
00416     assign_types_checkBox->setChecked(true);
00417 
00418     gridLayout3->addWidget(assign_types_checkBox, 2, 0, 1, 1);
00419 
00420     overwrite_charges_checkBox = new QCheckBox(check_options);
00421     overwrite_charges_checkBox->setObjectName(QString::fromUtf8("overwrite_charges_checkBox"));
00422     overwrite_charges_checkBox->setChecked(true);
00423 
00424     gridLayout3->addWidget(overwrite_charges_checkBox, 3, 0, 1, 1);
00425 
00426 
00427     gridLayout->addWidget(check_options, 2, 0, 1, 1);
00428 
00429     groupBox21 = new QGroupBox(CharmmConfigurationDialogData);
00430     groupBox21->setObjectName(QString::fromUtf8("groupBox21"));
00431     groupBox21->setAlignment(Qt::AlignHCenter);
00432     gridLayout4 = new QGridLayout(groupBox21);
00433     gridLayout4->setSpacing(6);
00434     gridLayout4->setMargin(5);
00435     gridLayout4->setObjectName(QString::fromUtf8("gridLayout4"));
00436     Label_10 = new QLabel(groupBox21);
00437     Label_10->setObjectName(QString::fromUtf8("Label_10"));
00438     Label_10->setMinimumSize(QSize(90, 25));
00439     Label_10->setFocusPolicy(Qt::NoFocus);
00440     Label_10->setLineWidth(1);
00441     Label_10->setTextFormat(Qt::AutoText);
00442     Label_10->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00443 
00444     gridLayout4->addWidget(Label_10, 0, 0, 1, 1);
00445 
00446     parameter_file_edit = new QLineEdit(groupBox21);
00447     parameter_file_edit->setObjectName(QString::fromUtf8("parameter_file_edit"));
00448     parameter_file_edit->setMinimumSize(QSize(180, 25));
00449     parameter_file_edit->setFocusPolicy(Qt::StrongFocus);
00450     parameter_file_edit->setMaxLength(32767);
00451     parameter_file_edit->setFrame(true);
00452     parameter_file_edit->setEchoMode(QLineEdit::Normal);
00453     parameter_file_edit->setAlignment(Qt::AlignLeading);
00454 
00455     gridLayout4->addWidget(parameter_file_edit, 0, 1, 1, 1);
00456 
00457     browse_button = new QPushButton(groupBox21);
00458     browse_button->setObjectName(QString::fromUtf8("browse_button"));
00459     browse_button->setMinimumSize(QSize(50, 25));
00460     browse_button->setFocusPolicy(Qt::TabFocus);
00461     browse_button->setAutoDefault(true);
00462 
00463     gridLayout4->addWidget(browse_button, 0, 2, 1, 1);
00464 
00465 
00466     gridLayout->addWidget(groupBox21, 0, 0, 1, 2);
00467 
00468     groupBox20 = new QGroupBox(CharmmConfigurationDialogData);
00469     groupBox20->setObjectName(QString::fromUtf8("groupBox20"));
00470     groupBox20->setAlignment(Qt::AlignHCenter);
00471     gridLayout5 = new QGridLayout(groupBox20);
00472     gridLayout5->setSpacing(6);
00473     gridLayout5->setMargin(5);
00474     gridLayout5->setObjectName(QString::fromUtf8("gridLayout5"));
00475     max_unassigned_atoms = new QLineEdit(groupBox20);
00476     max_unassigned_atoms->setObjectName(QString::fromUtf8("max_unassigned_atoms"));
00477     max_unassigned_atoms->setMinimumSize(QSize(100, 28));
00478     max_unassigned_atoms->setMaximumSize(QSize(100, 28));
00479     max_unassigned_atoms->setAlignment(Qt::AlignRight);
00480 
00481     gridLayout5->addWidget(max_unassigned_atoms, 0, 1, 1, 1);
00482 
00483     textLabel1 = new QLabel(groupBox20);
00484     textLabel1->setObjectName(QString::fromUtf8("textLabel1"));
00485     QSizePolicy sizePolicy1(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(5));
00486     sizePolicy1.setHorizontalStretch(0);
00487     sizePolicy1.setVerticalStretch(0);
00488     sizePolicy1.setHeightForWidth(textLabel1->sizePolicy().hasHeightForWidth());
00489     textLabel1->setSizePolicy(sizePolicy1);
00490     textLabel1->setMinimumSize(QSize(0, 28));
00491     textLabel1->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00492 
00493     gridLayout5->addWidget(textLabel1, 0, 0, 1, 1);
00494 
00495 
00496     gridLayout->addWidget(groupBox20, 1, 0, 1, 2);
00497 
00498     scaling_vdw_1_4_label->setBuddy(scaling_vdw_1_4_line_edit);
00499     nonbonded_cutoff_label_2->setBuddy(nonbonded_cutoff_line_edit);
00500     nonbonded_cutoff_label_2_2_3_3->setBuddy(nonbonded_cutoff_line_edit);
00501     solvation_cutoff_label->setBuddy(solvation_cutoff_line_edit);
00502     scaling_electrostatic_1_4_label->setBuddy(scaling_electrostatic_1_4_line_edit);
00503     nonbonded_cutoff_label->setBuddy(nonbonded_cutoff_line_edit);
00504     nonbonded_cutoff_label_2_2_3->setBuddy(nonbonded_cutoff_line_edit);
00505     nonbonded_cutoff_label_2_2_3_2->setBuddy(nonbonded_cutoff_line_edit);
00506     electrostatic_cutoff_label->setBuddy(electrostatic_cutoff_line_edit);
00507     vdw_cutoff_label->setBuddy(vdw_cutoff_line_edit);
00508     nonbonded_cutoff_label_2_4->setBuddy(nonbonded_cutoff_line_edit);
00509     nonbonded_cutoff_label_2_3->setBuddy(nonbonded_cutoff_line_edit);
00510     nonbonded_cutoff_label_2_2->setBuddy(nonbonded_cutoff_line_edit);
00511     QWidget::setTabOrder(parameter_file_edit, browse_button);
00512     QWidget::setTabOrder(browse_button, max_unassigned_atoms);
00513     QWidget::setTabOrder(max_unassigned_atoms, assign_charges_checkBox);
00514     QWidget::setTabOrder(assign_charges_checkBox, assign_typenames_checkBox);
00515     QWidget::setTabOrder(assign_typenames_checkBox, assign_types_checkBox);
00516     QWidget::setTabOrder(assign_types_checkBox, overwrite_charges_checkBox);
00517     QWidget::setTabOrder(overwrite_charges_checkBox, overwrite_typenames_checkBox);
00518     QWidget::setTabOrder(overwrite_typenames_checkBox, stretches_box);
00519     QWidget::setTabOrder(stretches_box, bends_box);
00520     QWidget::setTabOrder(bends_box, torsions_box);
00521     QWidget::setTabOrder(torsions_box, itorsions_box);
00522     QWidget::setTabOrder(itorsions_box, NB_box);
00523     QWidget::setTabOrder(NB_box, use_eef1_checkBox);
00524     QWidget::setTabOrder(use_eef1_checkBox, constant_button);
00525     QWidget::setTabOrder(constant_button, distance_button);
00526     QWidget::setTabOrder(distance_button, nonbonded_cutoff_line_edit);
00527     QWidget::setTabOrder(nonbonded_cutoff_line_edit, vdw_cutoff_line_edit);
00528     QWidget::setTabOrder(vdw_cutoff_line_edit, electrostatic_cutoff_line_edit);
00529     QWidget::setTabOrder(electrostatic_cutoff_line_edit, solvation_cutoff_line_edit);
00530     QWidget::setTabOrder(solvation_cutoff_line_edit, scaling_electrostatic_1_4_line_edit);
00531     QWidget::setTabOrder(scaling_electrostatic_1_4_line_edit, scaling_vdw_1_4_line_edit);
00532     QWidget::setTabOrder(scaling_vdw_1_4_line_edit, vdw_cuton_line_edit);
00533     QWidget::setTabOrder(vdw_cuton_line_edit, electrostatic_cuton_line_edit);
00534     QWidget::setTabOrder(electrostatic_cuton_line_edit, solvation_cuton_line_edit);
00535     QWidget::setTabOrder(solvation_cuton_line_edit, close_button);
00536     QWidget::setTabOrder(close_button, cancel_button);
00537     QWidget::setTabOrder(cancel_button, reset_button);
00538 
00539     retranslateUi(CharmmConfigurationDialogData);
00540 
00541     QMetaObject::connectSlotsByName(CharmmConfigurationDialogData);
00542     } // setupUi
00543 
00544     void retranslateUi(QDialog *CharmmConfigurationDialogData)
00545     {
00546     CharmmConfigurationDialogData->setWindowTitle(QApplication::translate("CharmmConfigurationDialogData", "CHARMM Options", 0, QApplication::UnicodeUTF8));
00547 
00548 #ifndef QT_NO_TOOLTIP
00549     close_button->setToolTip(QApplication::translate("CharmmConfigurationDialogData", "Close window and save changes", 0, QApplication::UnicodeUTF8));
00550 #endif // QT_NO_TOOLTIP
00551 
00552     close_button->setText(QApplication::translate("CharmmConfigurationDialogData", "O&K", 0, QApplication::UnicodeUTF8));
00553     close_button->setShortcut(QString());
00554 
00555 #ifndef QT_NO_TOOLTIP
00556     cancel_button->setToolTip(QApplication::translate("CharmmConfigurationDialogData", "Close window and discard changes", 0, QApplication::UnicodeUTF8));
00557 #endif // QT_NO_TOOLTIP
00558 
00559     cancel_button->setText(QApplication::translate("CharmmConfigurationDialogData", "C&ancel", 0, QApplication::UnicodeUTF8));
00560     cancel_button->setShortcut(QString());
00561 
00562 #ifndef QT_NO_TOOLTIP
00563     reset_button->setToolTip(QApplication::translate("CharmmConfigurationDialogData", "Reset settings to default values", 0, QApplication::UnicodeUTF8));
00564 #endif // QT_NO_TOOLTIP
00565 
00566     reset_button->setText(QApplication::translate("CharmmConfigurationDialogData", "Defaults", 0, QApplication::UnicodeUTF8));
00567     reset_button->setShortcut(QString());
00568     CharmmFF_Options->setTitle(QApplication::translate("CharmmConfigurationDialogData", "Options", 0, QApplication::UnicodeUTF8));
00569     scaling_vdw_1_4_label->setText(QApplication::translate("CharmmConfigurationDialogData", "Electrostatic 1-4 scaling factor", 0, QApplication::UnicodeUTF8));
00570     solvation_cuton_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "7.0", 0, QApplication::UnicodeUTF8));
00571     electrostatic_cutoff_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "9.0", 0, QApplication::UnicodeUTF8));
00572     nonbonded_cutoff_label_2->setText(QApplication::translate("CharmmConfigurationDialogData", "\303\205", 0, QApplication::UnicodeUTF8));
00573     scaling_electrostatic_1_4_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "1.0", 0, QApplication::UnicodeUTF8));
00574     solvation_cutoff_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "9.0", 0, QApplication::UnicodeUTF8));
00575     nonbonded_cutoff_label_2_2_3_3->setText(QApplication::translate("CharmmConfigurationDialogData", "\303\205 /", 0, QApplication::UnicodeUTF8));
00576     solvation_cutoff_label->setText(QApplication::translate("CharmmConfigurationDialogData", "Solvation cutoff/cuton distance (EEF1 only)", 0, QApplication::UnicodeUTF8));
00577     scaling_electrostatic_1_4_label->setText(QApplication::translate("CharmmConfigurationDialogData", "van der Waals 1-4 scaling factor", 0, QApplication::UnicodeUTF8));
00578     nonbonded_cutoff_label->setText(QApplication::translate("CharmmConfigurationDialogData", "Nonbonded cutoff distance", 0, QApplication::UnicodeUTF8));
00579     nonbonded_cutoff_label_2_2_3->setText(QApplication::translate("CharmmConfigurationDialogData", "\303\205 /", 0, QApplication::UnicodeUTF8));
00580     vdw_cutoff_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "9.0", 0, QApplication::UnicodeUTF8));
00581     nonbonded_cutoff_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "20.0", 0, QApplication::UnicodeUTF8));
00582     scaling_vdw_1_4_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "2.0", 0, QApplication::UnicodeUTF8));
00583     nonbonded_cutoff_label_2_2_3_2->setText(QApplication::translate("CharmmConfigurationDialogData", "\303\205 /", 0, QApplication::UnicodeUTF8));
00584     electrostatic_cuton_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "7.0", 0, QApplication::UnicodeUTF8));
00585     electrostatic_cutoff_label->setText(QApplication::translate("CharmmConfigurationDialogData", "Electrostatic cutoff/cuton distance", 0, QApplication::UnicodeUTF8));
00586     vdw_cuton_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "7.0", 0, QApplication::UnicodeUTF8));
00587     vdw_cutoff_label->setText(QApplication::translate("CharmmConfigurationDialogData", "van der Waals cutoff/cuton distance", 0, QApplication::UnicodeUTF8));
00588     nonbonded_cutoff_label_2_4->setText(QApplication::translate("CharmmConfigurationDialogData", "\303\205", 0, QApplication::UnicodeUTF8));
00589     nonbonded_cutoff_label_2_3->setText(QApplication::translate("CharmmConfigurationDialogData", "\303\205", 0, QApplication::UnicodeUTF8));
00590     nonbonded_cutoff_label_2_2->setText(QApplication::translate("CharmmConfigurationDialogData", "\303\205", 0, QApplication::UnicodeUTF8));
00591     dielectric_group->setTitle(QApplication::translate("CharmmConfigurationDialogData", "Dielectric Constant", 0, QApplication::UnicodeUTF8));
00592     constant_button->setText(QApplication::translate("CharmmConfigurationDialogData", "constant", 0, QApplication::UnicodeUTF8));
00593     distance_button->setText(QApplication::translate("CharmmConfigurationDialogData", "distance dependent", 0, QApplication::UnicodeUTF8));
00594     groupBox->setTitle(QApplication::translate("CharmmConfigurationDialogData", "Components", 0, QApplication::UnicodeUTF8));
00595     use_eef1_checkBox->setText(QApplication::translate("CharmmConfigurationDialogData", "Solvation (EEF1)", 0, QApplication::UnicodeUTF8));
00596     NB_box->setText(QApplication::translate("CharmmConfigurationDialogData", "NonBonded", 0, QApplication::UnicodeUTF8));
00597     itorsions_box->setText(QApplication::translate("CharmmConfigurationDialogData", "Improper Torsions", 0, QApplication::UnicodeUTF8));
00598     torsions_box->setText(QApplication::translate("CharmmConfigurationDialogData", "Torsions", 0, QApplication::UnicodeUTF8));
00599     stretches_box->setText(QApplication::translate("CharmmConfigurationDialogData", "Stretches", 0, QApplication::UnicodeUTF8));
00600     bends_box->setText(QApplication::translate("CharmmConfigurationDialogData", "Bends", 0, QApplication::UnicodeUTF8));
00601     check_options->setTitle(QApplication::translate("CharmmConfigurationDialogData", "Charge and Type Assignment", 0, QApplication::UnicodeUTF8));
00602     overwrite_typenames_checkBox->setText(QApplication::translate("CharmmConfigurationDialogData", "Overwrite type names", 0, QApplication::UnicodeUTF8));
00603     assign_charges_checkBox->setText(QApplication::translate("CharmmConfigurationDialogData", "Assign charges", 0, QApplication::UnicodeUTF8));
00604     assign_typenames_checkBox->setText(QApplication::translate("CharmmConfigurationDialogData", "Assign type names", 0, QApplication::UnicodeUTF8));
00605     assign_types_checkBox->setText(QApplication::translate("CharmmConfigurationDialogData", "Assign (numeric types)", 0, QApplication::UnicodeUTF8));
00606     overwrite_charges_checkBox->setText(QApplication::translate("CharmmConfigurationDialogData", "Overwrite charges", 0, QApplication::UnicodeUTF8));
00607     groupBox21->setTitle(QApplication::translate("CharmmConfigurationDialogData", "Parameter Set", 0, QApplication::UnicodeUTF8));
00608     Label_10->setText(QApplication::translate("CharmmConfigurationDialogData", "Filename", 0, QApplication::UnicodeUTF8));
00609     parameter_file_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "CHARMM/EEF1/param19_eef1.ini", 0, QApplication::UnicodeUTF8));
00610 
00611 #ifndef QT_NO_TOOLTIP
00612     browse_button->setToolTip(QApplication::translate("CharmmConfigurationDialogData", "Browse your computer for CHARMM file", 0, QApplication::UnicodeUTF8));
00613 #endif // QT_NO_TOOLTIP
00614 
00615     browse_button->setText(QApplication::translate("CharmmConfigurationDialogData", "Browse", 0, QApplication::UnicodeUTF8));
00616     groupBox20->setTitle(QApplication::translate("CharmmConfigurationDialogData", "Setup Error Handling", 0, QApplication::UnicodeUTF8));
00617     max_unassigned_atoms->setText(QApplication::translate("CharmmConfigurationDialogData", "10", 0, QApplication::UnicodeUTF8));
00618     textLabel1->setText(QApplication::translate("CharmmConfigurationDialogData", "Maximum number of unassigned atoms before aborting setup", 0, QApplication::UnicodeUTF8));
00619     Q_UNUSED(CharmmConfigurationDialogData);
00620     } // retranslateUi
00621 
00622 };
00623 
00624 namespace Ui {
00625     class CharmmConfigurationDialogData: public Ui_CharmmConfigurationDialogData {};
00626 } // namespace Ui
00627 
00628 QT_END_NAMESPACE
00629 
00630 #endif // CHARMMCONFIGURATIONDIALOGDATA_H