BALL: charmmConfigurationDialogData.h Source File

00001 /********************************************************************************
00002 ** Form generated from reading ui file 'charmmConfigurationDialog.ui'
00003 **
00004 ** Created: Wed Mar 5 12:27:13 2008
00005 **      by: Qt User Interface Compiler version 4.2.2
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 class Ui_CharmmConfigurationDialogData
00029 {
00030 public:
00031     QGridLayout *gridLayout;
00032     QHBoxLayout *hboxLayout;
00033     QPushButton *close_button;
00034     QPushButton *cancel_button;
00035     QPushButton *reset_button;
00036     QGroupBox *CharmmFF_Options;
00037     QGridLayout *gridLayout1;
00038     QLabel *scaling_vdw_1_4_label;
00039     QLineEdit *solvation_cuton_line_edit;
00040     QLineEdit *electrostatic_cutoff_line_edit;
00041     QLabel *nonbonded_cutoff_label_2;
00042     QLineEdit *scaling_electrostatic_1_4_line_edit;
00043     QLineEdit *solvation_cutoff_line_edit;
00044     QLabel *nonbonded_cutoff_label_2_2_3_3;
00045     QLabel *solvation_cutoff_label;
00046     QLabel *scaling_electrostatic_1_4_label;
00047     QLabel *nonbonded_cutoff_label;
00048     QLabel *nonbonded_cutoff_label_2_2_3;
00049     QLineEdit *vdw_cutoff_line_edit;
00050     QLineEdit *nonbonded_cutoff_line_edit;
00051     QLineEdit *scaling_vdw_1_4_line_edit;
00052     QLabel *nonbonded_cutoff_label_2_2_3_2;
00053     QLineEdit *electrostatic_cuton_line_edit;
00054     QLabel *electrostatic_cutoff_label;
00055     QLineEdit *vdw_cuton_line_edit;
00056     QLabel *vdw_cutoff_label;
00057     QLabel *nonbonded_cutoff_label_2_4;
00058     QLabel *nonbonded_cutoff_label_2_3;
00059     QLabel *nonbonded_cutoff_label_2_2;
00060     QGroupBox *dielectric_group;
00061     QHBoxLayout *hboxLayout1;
00062     QRadioButton *constant_button;
00063     QRadioButton *distance_button;
00064     QGroupBox *groupBox;
00065     QGridLayout *gridLayout2;
00066     QCheckBox *use_eef1_checkBox;
00067     QCheckBox *NB_box;
00068     QCheckBox *itorsions_box;
00069     QCheckBox *torsions_box;
00070     QCheckBox *stretches_box;
00071     QCheckBox *bends_box;
00072     QGroupBox *check_options;
00073     QGridLayout *gridLayout3;
00074     QCheckBox *overwrite_typenames_checkBox;
00075     QCheckBox *assign_charges_checkBox;
00076     QCheckBox *assign_typenames_checkBox;
00077     QCheckBox *assign_types_checkBox;
00078     QCheckBox *overwrite_charges_checkBox;
00079     QGroupBox *groupBox21;
00080     QGridLayout *gridLayout4;
00081     QLabel *Label_10;
00082     QLineEdit *parameter_file_edit;
00083     QPushButton *browse_button;
00084     QGroupBox *groupBox20;
00085     QGridLayout *gridLayout5;
00086     QLineEdit *max_unassigned_atoms;
00087     QLabel *textLabel1;
00088 
00089     void setupUi(QDialog *CharmmConfigurationDialogData)
00090     {
00091     CharmmConfigurationDialogData->setObjectName(QString::fromUtf8("CharmmConfigurationDialogData"));
00092     CharmmConfigurationDialogData->setMinimumSize(QSize(0, 0));
00093     CharmmConfigurationDialogData->setMaximumSize(QSize(6778, 8900));
00094     gridLayout = new QGridLayout(CharmmConfigurationDialogData);
00095     gridLayout->setSpacing(5);
00096     gridLayout->setMargin(5);
00097     gridLayout->setObjectName(QString::fromUtf8("gridLayout"));
00098     hboxLayout = new QHBoxLayout();
00099     hboxLayout->setSpacing(6);
00100     hboxLayout->setMargin(0);
00101     hboxLayout->setObjectName(QString::fromUtf8("hboxLayout"));
00102     close_button = new QPushButton(CharmmConfigurationDialogData);
00103     close_button->setObjectName(QString::fromUtf8("close_button"));
00104     close_button->setMinimumSize(QSize(0, 30));
00105     close_button->setDefault(true);
00106 
00107     hboxLayout->addWidget(close_button);
00108 
00109     cancel_button = new QPushButton(CharmmConfigurationDialogData);
00110     cancel_button->setObjectName(QString::fromUtf8("cancel_button"));
00111     cancel_button->setMinimumSize(QSize(0, 30));
00112 
00113     hboxLayout->addWidget(cancel_button);
00114 
00115     reset_button = new QPushButton(CharmmConfigurationDialogData);
00116     reset_button->setObjectName(QString::fromUtf8("reset_button"));
00117     reset_button->setMinimumSize(QSize(0, 30));
00118 
00119     hboxLayout->addWidget(reset_button);
00120 
00121 
00122     gridLayout->addLayout(hboxLayout, 5, 0, 1, 2);
00123 
00124     CharmmFF_Options = new QGroupBox(CharmmConfigurationDialogData);
00125     CharmmFF_Options->setObjectName(QString::fromUtf8("CharmmFF_Options"));
00126     CharmmFF_Options->setMinimumSize(QSize(520, 0));
00127     CharmmFF_Options->setAlignment(Qt::AlignHCenter);
00128     gridLayout1 = new QGridLayout(CharmmFF_Options);
00129     gridLayout1->setSpacing(6);
00130     gridLayout1->setMargin(4);
00131     gridLayout1->setObjectName(QString::fromUtf8("gridLayout1"));
00132     scaling_vdw_1_4_label = new QLabel(CharmmFF_Options);
00133     scaling_vdw_1_4_label->setObjectName(QString::fromUtf8("scaling_vdw_1_4_label"));
00134     scaling_vdw_1_4_label->setMinimumSize(QSize(260, 0));
00135 
00136     gridLayout1->addWidget(scaling_vdw_1_4_label, 4, 0, 1, 1);
00137 
00138     solvation_cuton_line_edit = new QLineEdit(CharmmFF_Options);
00139     solvation_cuton_line_edit->setObjectName(QString::fromUtf8("solvation_cuton_line_edit"));
00140     solvation_cuton_line_edit->setMinimumSize(QSize(50, 25));
00141     solvation_cuton_line_edit->setMaximumSize(QSize(90, 32767));
00142     solvation_cuton_line_edit->setAlignment(Qt::AlignRight);
00143 
00144     gridLayout1->addWidget(solvation_cuton_line_edit, 3, 3, 1, 1);
00145 
00146     electrostatic_cutoff_line_edit = new QLineEdit(CharmmFF_Options);
00147     electrostatic_cutoff_line_edit->setObjectName(QString::fromUtf8("electrostatic_cutoff_line_edit"));
00148     electrostatic_cutoff_line_edit->setMinimumSize(QSize(50, 25));
00149     electrostatic_cutoff_line_edit->setMaximumSize(QSize(90, 32767));
00150     electrostatic_cutoff_line_edit->setAlignment(Qt::AlignRight);
00151 
00152     gridLayout1->addWidget(electrostatic_cutoff_line_edit, 2, 1, 1, 1);
00153 
00154     nonbonded_cutoff_label_2 = new QLabel(CharmmFF_Options);
00155     nonbonded_cutoff_label_2->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2"));
00156     QSizePolicy sizePolicy(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(5));
00157     sizePolicy.setHorizontalStretch(0);
00158     sizePolicy.setVerticalStretch(0);
00159     sizePolicy.setHeightForWidth(nonbonded_cutoff_label_2->sizePolicy().hasHeightForWidth());
00160     nonbonded_cutoff_label_2->setSizePolicy(sizePolicy);
00161     nonbonded_cutoff_label_2->setMinimumSize(QSize(25, 0));
00162     nonbonded_cutoff_label_2->setMaximumSize(QSize(30, 32767));
00163 
00164     gridLayout1->addWidget(nonbonded_cutoff_label_2, 0, 2, 1, 1);
00165 
00166     scaling_electrostatic_1_4_line_edit = new QLineEdit(CharmmFF_Options);
00167     scaling_electrostatic_1_4_line_edit->setObjectName(QString::fromUtf8("scaling_electrostatic_1_4_line_edit"));
00168     scaling_electrostatic_1_4_line_edit->setMinimumSize(QSize(50, 25));
00169     scaling_electrostatic_1_4_line_edit->setMaximumSize(QSize(90, 32767));
00170     scaling_electrostatic_1_4_line_edit->setAlignment(Qt::AlignRight);
00171 
00172     gridLayout1->addWidget(scaling_electrostatic_1_4_line_edit, 4, 1, 1, 1);
00173 
00174     solvation_cutoff_line_edit = new QLineEdit(CharmmFF_Options);
00175     solvation_cutoff_line_edit->setObjectName(QString::fromUtf8("solvation_cutoff_line_edit"));
00176     solvation_cutoff_line_edit->setMinimumSize(QSize(50, 25));
00177     solvation_cutoff_line_edit->setMaximumSize(QSize(90, 32767));
00178     solvation_cutoff_line_edit->setAlignment(Qt::AlignRight);
00179 
00180     gridLayout1->addWidget(solvation_cutoff_line_edit, 3, 1, 1, 1);
00181 
00182     nonbonded_cutoff_label_2_2_3_3 = new QLabel(CharmmFF_Options);
00183     nonbonded_cutoff_label_2_2_3_3->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_2_3_3"));
00184     QSizePolicy sizePolicy1(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(5));
00185     sizePolicy1.setHorizontalStretch(0);
00186     sizePolicy1.setVerticalStretch(0);
00187     sizePolicy1.setHeightForWidth(nonbonded_cutoff_label_2_2_3_3->sizePolicy().hasHeightForWidth());
00188     nonbonded_cutoff_label_2_2_3_3->setSizePolicy(sizePolicy1);
00189     nonbonded_cutoff_label_2_2_3_3->setMinimumSize(QSize(25, 0));
00190     nonbonded_cutoff_label_2_2_3_3->setMaximumSize(QSize(30, 32767));
00191 
00192     gridLayout1->addWidget(nonbonded_cutoff_label_2_2_3_3, 3, 2, 1, 1);
00193 
00194     solvation_cutoff_label = new QLabel(CharmmFF_Options);
00195     solvation_cutoff_label->setObjectName(QString::fromUtf8("solvation_cutoff_label"));
00196     solvation_cutoff_label->setMinimumSize(QSize(280, 0));
00197 
00198     gridLayout1->addWidget(solvation_cutoff_label, 3, 0, 1, 1);
00199 
00200     scaling_electrostatic_1_4_label = new QLabel(CharmmFF_Options);
00201     scaling_electrostatic_1_4_label->setObjectName(QString::fromUtf8("scaling_electrostatic_1_4_label"));
00202     scaling_electrostatic_1_4_label->setMinimumSize(QSize(260, 0));
00203 
00204     gridLayout1->addWidget(scaling_electrostatic_1_4_label, 5, 0, 1, 1);
00205 
00206     nonbonded_cutoff_label = new QLabel(CharmmFF_Options);
00207     nonbonded_cutoff_label->setObjectName(QString::fromUtf8("nonbonded_cutoff_label"));
00208     nonbonded_cutoff_label->setMinimumSize(QSize(260, 0));
00209 
00210     gridLayout1->addWidget(nonbonded_cutoff_label, 0, 0, 1, 1);
00211 
00212     nonbonded_cutoff_label_2_2_3 = new QLabel(CharmmFF_Options);
00213     nonbonded_cutoff_label_2_2_3->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_2_3"));
00214     QSizePolicy sizePolicy2(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(5));
00215     sizePolicy2.setHorizontalStretch(0);
00216     sizePolicy2.setVerticalStretch(0);
00217     sizePolicy2.setHeightForWidth(nonbonded_cutoff_label_2_2_3->sizePolicy().hasHeightForWidth());
00218     nonbonded_cutoff_label_2_2_3->setSizePolicy(sizePolicy2);
00219     nonbonded_cutoff_label_2_2_3->setMinimumSize(QSize(25, 0));
00220     nonbonded_cutoff_label_2_2_3->setMaximumSize(QSize(30, 32767));
00221 
00222     gridLayout1->addWidget(nonbonded_cutoff_label_2_2_3, 1, 2, 1, 1);
00223 
00224     vdw_cutoff_line_edit = new QLineEdit(CharmmFF_Options);
00225     vdw_cutoff_line_edit->setObjectName(QString::fromUtf8("vdw_cutoff_line_edit"));
00226     vdw_cutoff_line_edit->setMinimumSize(QSize(50, 25));
00227     vdw_cutoff_line_edit->setMaximumSize(QSize(90, 32767));
00228     vdw_cutoff_line_edit->setFrame(true);
00229     vdw_cutoff_line_edit->setEchoMode(QLineEdit::Normal);
00230     vdw_cutoff_line_edit->setAlignment(Qt::AlignRight);
00231 
00232     gridLayout1->addWidget(vdw_cutoff_line_edit, 1, 1, 1, 1);
00233 
00234     nonbonded_cutoff_line_edit = new QLineEdit(CharmmFF_Options);
00235     nonbonded_cutoff_line_edit->setObjectName(QString::fromUtf8("nonbonded_cutoff_line_edit"));
00236     nonbonded_cutoff_line_edit->setMinimumSize(QSize(50, 25));
00237     nonbonded_cutoff_line_edit->setMaximumSize(QSize(90, 32767));
00238     nonbonded_cutoff_line_edit->setFocusPolicy(Qt::StrongFocus);
00239     nonbonded_cutoff_line_edit->setMaxLength(32767);
00240     nonbonded_cutoff_line_edit->setFrame(true);
00241     nonbonded_cutoff_line_edit->setEchoMode(QLineEdit::Normal);
00242     nonbonded_cutoff_line_edit->setAlignment(Qt::AlignRight);
00243 
00244     gridLayout1->addWidget(nonbonded_cutoff_line_edit, 0, 1, 1, 1);
00245 
00246     scaling_vdw_1_4_line_edit = new QLineEdit(CharmmFF_Options);
00247     scaling_vdw_1_4_line_edit->setObjectName(QString::fromUtf8("scaling_vdw_1_4_line_edit"));
00248     scaling_vdw_1_4_line_edit->setMinimumSize(QSize(50, 25));
00249     scaling_vdw_1_4_line_edit->setMaximumSize(QSize(90, 32767));
00250     scaling_vdw_1_4_line_edit->setAlignment(Qt::AlignRight);
00251 
00252     gridLayout1->addWidget(scaling_vdw_1_4_line_edit, 5, 1, 1, 1);
00253 
00254     nonbonded_cutoff_label_2_2_3_2 = new QLabel(CharmmFF_Options);
00255     nonbonded_cutoff_label_2_2_3_2->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_2_3_2"));
00256     QSizePolicy sizePolicy3(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(5));
00257     sizePolicy3.setHorizontalStretch(0);
00258     sizePolicy3.setVerticalStretch(0);
00259     sizePolicy3.setHeightForWidth(nonbonded_cutoff_label_2_2_3_2->sizePolicy().hasHeightForWidth());
00260     nonbonded_cutoff_label_2_2_3_2->setSizePolicy(sizePolicy3);
00261     nonbonded_cutoff_label_2_2_3_2->setMinimumSize(QSize(25, 0));
00262     nonbonded_cutoff_label_2_2_3_2->setMaximumSize(QSize(30, 32767));
00263 
00264     gridLayout1->addWidget(nonbonded_cutoff_label_2_2_3_2, 2, 2, 1, 1);
00265 
00266     electrostatic_cuton_line_edit = new QLineEdit(CharmmFF_Options);
00267     electrostatic_cuton_line_edit->setObjectName(QString::fromUtf8("electrostatic_cuton_line_edit"));
00268     electrostatic_cuton_line_edit->setMinimumSize(QSize(50, 25));
00269     electrostatic_cuton_line_edit->setMaximumSize(QSize(90, 32767));
00270     electrostatic_cuton_line_edit->setAlignment(Qt::AlignRight);
00271 
00272     gridLayout1->addWidget(electrostatic_cuton_line_edit, 2, 3, 1, 1);
00273 
00274     electrostatic_cutoff_label = new QLabel(CharmmFF_Options);
00275     electrostatic_cutoff_label->setObjectName(QString::fromUtf8("electrostatic_cutoff_label"));
00276     electrostatic_cutoff_label->setMinimumSize(QSize(260, 0));
00277 
00278     gridLayout1->addWidget(electrostatic_cutoff_label, 2, 0, 1, 1);
00279 
00280     vdw_cuton_line_edit = new QLineEdit(CharmmFF_Options);
00281     vdw_cuton_line_edit->setObjectName(QString::fromUtf8("vdw_cuton_line_edit"));
00282     vdw_cuton_line_edit->setMinimumSize(QSize(50, 25));
00283     vdw_cuton_line_edit->setMaximumSize(QSize(90, 32767));
00284     vdw_cuton_line_edit->setAlignment(Qt::AlignRight);
00285 
00286     gridLayout1->addWidget(vdw_cuton_line_edit, 1, 3, 1, 1);
00287 
00288     vdw_cutoff_label = new QLabel(CharmmFF_Options);
00289     vdw_cutoff_label->setObjectName(QString::fromUtf8("vdw_cutoff_label"));
00290     vdw_cutoff_label->setMinimumSize(QSize(260, 0));
00291 
00292     gridLayout1->addWidget(vdw_cutoff_label, 1, 0, 1, 1);
00293 
00294     nonbonded_cutoff_label_2_4 = new QLabel(CharmmFF_Options);
00295     nonbonded_cutoff_label_2_4->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_4"));
00296     QSizePolicy sizePolicy4(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(5));
00297     sizePolicy4.setHorizontalStretch(0);
00298     sizePolicy4.setVerticalStretch(0);
00299     sizePolicy4.setHeightForWidth(nonbonded_cutoff_label_2_4->sizePolicy().hasHeightForWidth());
00300     nonbonded_cutoff_label_2_4->setSizePolicy(sizePolicy4);
00301     nonbonded_cutoff_label_2_4->setMinimumSize(QSize(25, 0));
00302     nonbonded_cutoff_label_2_4->setMaximumSize(QSize(30, 32767));
00303 
00304     gridLayout1->addWidget(nonbonded_cutoff_label_2_4, 3, 4, 1, 1);
00305 
00306     nonbonded_cutoff_label_2_3 = new QLabel(CharmmFF_Options);
00307     nonbonded_cutoff_label_2_3->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_3"));
00308     QSizePolicy sizePolicy5(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(5));
00309     sizePolicy5.setHorizontalStretch(0);
00310     sizePolicy5.setVerticalStretch(0);
00311     sizePolicy5.setHeightForWidth(nonbonded_cutoff_label_2_3->sizePolicy().hasHeightForWidth());
00312     nonbonded_cutoff_label_2_3->setSizePolicy(sizePolicy5);
00313     nonbonded_cutoff_label_2_3->setMinimumSize(QSize(25, 0));
00314     nonbonded_cutoff_label_2_3->setMaximumSize(QSize(30, 32767));
00315 
00316     gridLayout1->addWidget(nonbonded_cutoff_label_2_3, 2, 4, 1, 1);
00317 
00318     nonbonded_cutoff_label_2_2 = new QLabel(CharmmFF_Options);
00319     nonbonded_cutoff_label_2_2->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_2"));
00320     QSizePolicy sizePolicy6(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(5));
00321     sizePolicy6.setHorizontalStretch(0);
00322     sizePolicy6.setVerticalStretch(0);
00323     sizePolicy6.setHeightForWidth(nonbonded_cutoff_label_2_2->sizePolicy().hasHeightForWidth());
00324     nonbonded_cutoff_label_2_2->setSizePolicy(sizePolicy6);
00325     nonbonded_cutoff_label_2_2->setMinimumSize(QSize(25, 0));
00326     nonbonded_cutoff_label_2_2->setMaximumSize(QSize(30, 32767));
00327 
00328     gridLayout1->addWidget(nonbonded_cutoff_label_2_2, 1, 4, 1, 1);
00329 
00330 
00331     gridLayout->addWidget(CharmmFF_Options, 4, 0, 1, 2);
00332 
00333     dielectric_group = new QGroupBox(CharmmConfigurationDialogData);
00334     dielectric_group->setObjectName(QString::fromUtf8("dielectric_group"));
00335     dielectric_group->setAlignment(Qt::AlignHCenter);
00336     hboxLayout1 = new QHBoxLayout(dielectric_group);
00337     hboxLayout1->setSpacing(6);
00338     hboxLayout1->setMargin(5);
00339     hboxLayout1->setObjectName(QString::fromUtf8("hboxLayout1"));
00340     constant_button = new QRadioButton(dielectric_group);
00341     constant_button->setObjectName(QString::fromUtf8("constant_button"));
00342     constant_button->setEnabled(true);
00343     constant_button->setChecked(false);
00344 
00345     hboxLayout1->addWidget(constant_button);
00346 
00347     distance_button = new QRadioButton(dielectric_group);
00348     distance_button->setObjectName(QString::fromUtf8("distance_button"));
00349     distance_button->setMinimumSize(QSize(165, 0));
00350     distance_button->setChecked(true);
00351 
00352     hboxLayout1->addWidget(distance_button);
00353 
00354 
00355     gridLayout->addWidget(dielectric_group, 3, 0, 1, 2);
00356 
00357     groupBox = new QGroupBox(CharmmConfigurationDialogData);
00358     groupBox->setObjectName(QString::fromUtf8("groupBox"));
00359     groupBox->setAlignment(Qt::AlignHCenter);
00360     gridLayout2 = new QGridLayout(groupBox);
00361     gridLayout2->setSpacing(6);
00362     gridLayout2->setMargin(9);
00363     gridLayout2->setObjectName(QString::fromUtf8("gridLayout2"));
00364     use_eef1_checkBox = new QCheckBox(groupBox);
00365     use_eef1_checkBox->setObjectName(QString::fromUtf8("use_eef1_checkBox"));
00366     use_eef1_checkBox->setChecked(true);
00367 
00368     gridLayout2->addWidget(use_eef1_checkBox, 2, 1, 1, 1);
00369 
00370     NB_box = new QCheckBox(groupBox);
00371     NB_box->setObjectName(QString::fromUtf8("NB_box"));
00372     NB_box->setChecked(true);
00373 
00374     gridLayout2->addWidget(NB_box, 1, 1, 1, 1);
00375 
00376     itorsions_box = new QCheckBox(groupBox);
00377     itorsions_box->setObjectName(QString::fromUtf8("itorsions_box"));
00378     itorsions_box->setChecked(true);
00379 
00380     gridLayout2->addWidget(itorsions_box, 0, 1, 1, 1);
00381 
00382     torsions_box = new QCheckBox(groupBox);
00383     torsions_box->setObjectName(QString::fromUtf8("torsions_box"));
00384     torsions_box->setChecked(true);
00385 
00386     gridLayout2->addWidget(torsions_box, 2, 0, 1, 1);
00387 
00388     stretches_box = new QCheckBox(groupBox);
00389     stretches_box->setObjectName(QString::fromUtf8("stretches_box"));
00390     stretches_box->setChecked(true);
00391 
00392     gridLayout2->addWidget(stretches_box, 0, 0, 1, 1);
00393 
00394     bends_box = new QCheckBox(groupBox);
00395     bends_box->setObjectName(QString::fromUtf8("bends_box"));
00396     bends_box->setChecked(true);
00397 
00398     gridLayout2->addWidget(bends_box, 1, 0, 1, 1);
00399 
00400 
00401     gridLayout->addWidget(groupBox, 2, 1, 1, 1);
00402 
00403     check_options = new QGroupBox(CharmmConfigurationDialogData);
00404     check_options->setObjectName(QString::fromUtf8("check_options"));
00405     check_options->setAlignment(Qt::AlignHCenter);
00406     gridLayout3 = new QGridLayout(check_options);
00407     gridLayout3->setSpacing(3);
00408     gridLayout3->setMargin(4);
00409     gridLayout3->setObjectName(QString::fromUtf8("gridLayout3"));
00410     overwrite_typenames_checkBox = new QCheckBox(check_options);
00411     overwrite_typenames_checkBox->setObjectName(QString::fromUtf8("overwrite_typenames_checkBox"));
00412     overwrite_typenames_checkBox->setChecked(true);
00413 
00414     gridLayout3->addWidget(overwrite_typenames_checkBox, 4, 0, 1, 1);
00415 
00416     assign_charges_checkBox = new QCheckBox(check_options);
00417     assign_charges_checkBox->setObjectName(QString::fromUtf8("assign_charges_checkBox"));
00418     assign_charges_checkBox->setChecked(true);
00419 
00420     gridLayout3->addWidget(assign_charges_checkBox, 0, 0, 1, 1);
00421 
00422     assign_typenames_checkBox = new QCheckBox(check_options);
00423     assign_typenames_checkBox->setObjectName(QString::fromUtf8("assign_typenames_checkBox"));
00424     assign_typenames_checkBox->setChecked(true);
00425 
00426     gridLayout3->addWidget(assign_typenames_checkBox, 1, 0, 1, 1);
00427 
00428     assign_types_checkBox = new QCheckBox(check_options);
00429     assign_types_checkBox->setObjectName(QString::fromUtf8("assign_types_checkBox"));
00430     assign_types_checkBox->setChecked(true);
00431 
00432     gridLayout3->addWidget(assign_types_checkBox, 2, 0, 1, 1);
00433 
00434     overwrite_charges_checkBox = new QCheckBox(check_options);
00435     overwrite_charges_checkBox->setObjectName(QString::fromUtf8("overwrite_charges_checkBox"));
00436     overwrite_charges_checkBox->setChecked(true);
00437 
00438     gridLayout3->addWidget(overwrite_charges_checkBox, 3, 0, 1, 1);
00439 
00440 
00441     gridLayout->addWidget(check_options, 2, 0, 1, 1);
00442 
00443     groupBox21 = new QGroupBox(CharmmConfigurationDialogData);
00444     groupBox21->setObjectName(QString::fromUtf8("groupBox21"));
00445     groupBox21->setAlignment(Qt::AlignHCenter);
00446     gridLayout4 = new QGridLayout(groupBox21);
00447     gridLayout4->setSpacing(6);
00448     gridLayout4->setMargin(5);
00449     gridLayout4->setObjectName(QString::fromUtf8("gridLayout4"));
00450     Label_10 = new QLabel(groupBox21);
00451     Label_10->setObjectName(QString::fromUtf8("Label_10"));
00452     Label_10->setMinimumSize(QSize(90, 25));
00453     Label_10->setFocusPolicy(Qt::NoFocus);
00454     Label_10->setLineWidth(1);
00455     Label_10->setTextFormat(Qt::AutoText);
00456     Label_10->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00457 
00458     gridLayout4->addWidget(Label_10, 0, 0, 1, 1);
00459 
00460     parameter_file_edit = new QLineEdit(groupBox21);
00461     parameter_file_edit->setObjectName(QString::fromUtf8("parameter_file_edit"));
00462     parameter_file_edit->setMinimumSize(QSize(180, 25));
00463     parameter_file_edit->setFocusPolicy(Qt::StrongFocus);
00464     parameter_file_edit->setMaxLength(32767);
00465     parameter_file_edit->setFrame(true);
00466     parameter_file_edit->setEchoMode(QLineEdit::Normal);
00467     parameter_file_edit->setAlignment(Qt::AlignLeading);
00468 
00469     gridLayout4->addWidget(parameter_file_edit, 0, 1, 1, 1);
00470 
00471     browse_button = new QPushButton(groupBox21);
00472     browse_button->setObjectName(QString::fromUtf8("browse_button"));
00473     browse_button->setMinimumSize(QSize(50, 25));
00474     browse_button->setFocusPolicy(Qt::TabFocus);
00475     browse_button->setAutoDefault(true);
00476 
00477     gridLayout4->addWidget(browse_button, 0, 2, 1, 1);
00478 
00479 
00480     gridLayout->addWidget(groupBox21, 0, 0, 1, 2);
00481 
00482     groupBox20 = new QGroupBox(CharmmConfigurationDialogData);
00483     groupBox20->setObjectName(QString::fromUtf8("groupBox20"));
00484     groupBox20->setAlignment(Qt::AlignHCenter);
00485     gridLayout5 = new QGridLayout(groupBox20);
00486     gridLayout5->setSpacing(6);
00487     gridLayout5->setMargin(5);
00488     gridLayout5->setObjectName(QString::fromUtf8("gridLayout5"));
00489     max_unassigned_atoms = new QLineEdit(groupBox20);
00490     max_unassigned_atoms->setObjectName(QString::fromUtf8("max_unassigned_atoms"));
00491     max_unassigned_atoms->setMinimumSize(QSize(100, 28));
00492     max_unassigned_atoms->setMaximumSize(QSize(100, 28));
00493     max_unassigned_atoms->setAlignment(Qt::AlignRight);
00494 
00495     gridLayout5->addWidget(max_unassigned_atoms, 0, 1, 1, 1);
00496 
00497     textLabel1 = new QLabel(groupBox20);
00498     textLabel1->setObjectName(QString::fromUtf8("textLabel1"));
00499     QSizePolicy sizePolicy7(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(5));
00500     sizePolicy7.setHorizontalStretch(0);
00501     sizePolicy7.setVerticalStretch(0);
00502     sizePolicy7.setHeightForWidth(textLabel1->sizePolicy().hasHeightForWidth());
00503     textLabel1->setSizePolicy(sizePolicy7);
00504     textLabel1->setMinimumSize(QSize(0, 28));
00505     textLabel1->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00506 
00507     gridLayout5->addWidget(textLabel1, 0, 0, 1, 1);
00508 
00509 
00510     gridLayout->addWidget(groupBox20, 1, 0, 1, 2);
00511 
00512     scaling_vdw_1_4_label->setBuddy(scaling_vdw_1_4_line_edit);
00513     nonbonded_cutoff_label_2->setBuddy(nonbonded_cutoff_line_edit);
00514     nonbonded_cutoff_label_2_2_3_3->setBuddy(nonbonded_cutoff_line_edit);
00515     solvation_cutoff_label->setBuddy(solvation_cutoff_line_edit);
00516     scaling_electrostatic_1_4_label->setBuddy(scaling_electrostatic_1_4_line_edit);
00517     nonbonded_cutoff_label->setBuddy(nonbonded_cutoff_line_edit);
00518     nonbonded_cutoff_label_2_2_3->setBuddy(nonbonded_cutoff_line_edit);
00519     nonbonded_cutoff_label_2_2_3_2->setBuddy(nonbonded_cutoff_line_edit);
00520     electrostatic_cutoff_label->setBuddy(electrostatic_cutoff_line_edit);
00521     vdw_cutoff_label->setBuddy(vdw_cutoff_line_edit);
00522     nonbonded_cutoff_label_2_4->setBuddy(nonbonded_cutoff_line_edit);
00523     nonbonded_cutoff_label_2_3->setBuddy(nonbonded_cutoff_line_edit);
00524     nonbonded_cutoff_label_2_2->setBuddy(nonbonded_cutoff_line_edit);
00525     QWidget::setTabOrder(parameter_file_edit, browse_button);
00526     QWidget::setTabOrder(browse_button, max_unassigned_atoms);
00527     QWidget::setTabOrder(max_unassigned_atoms, assign_charges_checkBox);
00528     QWidget::setTabOrder(assign_charges_checkBox, assign_typenames_checkBox);
00529     QWidget::setTabOrder(assign_typenames_checkBox, assign_types_checkBox);
00530     QWidget::setTabOrder(assign_types_checkBox, overwrite_charges_checkBox);
00531     QWidget::setTabOrder(overwrite_charges_checkBox, overwrite_typenames_checkBox);
00532     QWidget::setTabOrder(overwrite_typenames_checkBox, stretches_box);
00533     QWidget::setTabOrder(stretches_box, bends_box);
00534     QWidget::setTabOrder(bends_box, torsions_box);
00535     QWidget::setTabOrder(torsions_box, itorsions_box);
00536     QWidget::setTabOrder(itorsions_box, NB_box);
00537     QWidget::setTabOrder(NB_box, use_eef1_checkBox);
00538     QWidget::setTabOrder(use_eef1_checkBox, constant_button);
00539     QWidget::setTabOrder(constant_button, distance_button);
00540     QWidget::setTabOrder(distance_button, nonbonded_cutoff_line_edit);
00541     QWidget::setTabOrder(nonbonded_cutoff_line_edit, vdw_cutoff_line_edit);
00542     QWidget::setTabOrder(vdw_cutoff_line_edit, electrostatic_cutoff_line_edit);
00543     QWidget::setTabOrder(electrostatic_cutoff_line_edit, solvation_cutoff_line_edit);
00544     QWidget::setTabOrder(solvation_cutoff_line_edit, scaling_electrostatic_1_4_line_edit);
00545     QWidget::setTabOrder(scaling_electrostatic_1_4_line_edit, scaling_vdw_1_4_line_edit);
00546     QWidget::setTabOrder(scaling_vdw_1_4_line_edit, vdw_cuton_line_edit);
00547     QWidget::setTabOrder(vdw_cuton_line_edit, electrostatic_cuton_line_edit);
00548     QWidget::setTabOrder(electrostatic_cuton_line_edit, solvation_cuton_line_edit);
00549     QWidget::setTabOrder(solvation_cuton_line_edit, close_button);
00550     QWidget::setTabOrder(close_button, cancel_button);
00551     QWidget::setTabOrder(cancel_button, reset_button);
00552 
00553     retranslateUi(CharmmConfigurationDialogData);
00554 
00555     QSize size(543, 618);
00556     size = size.expandedTo(CharmmConfigurationDialogData->minimumSizeHint());
00557     CharmmConfigurationDialogData->resize(size);
00558 
00559 
00560     QMetaObject::connectSlotsByName(CharmmConfigurationDialogData);
00561     } // setupUi
00562 
00563     void retranslateUi(QDialog *CharmmConfigurationDialogData)
00564     {
00565     CharmmConfigurationDialogData->setWindowTitle(QApplication::translate("CharmmConfigurationDialogData", "CHARMM Options", 0, QApplication::UnicodeUTF8));
00566     close_button->setToolTip(QApplication::translate("CharmmConfigurationDialogData", "Close window and save changes", 0, QApplication::UnicodeUTF8));
00567     close_button->setText(QApplication::translate("CharmmConfigurationDialogData", "O&K", 0, QApplication::UnicodeUTF8));
00568     close_button->setShortcut(QString());
00569     cancel_button->setToolTip(QApplication::translate("CharmmConfigurationDialogData", "Close window and discard changes", 0, QApplication::UnicodeUTF8));
00570     cancel_button->setText(QApplication::translate("CharmmConfigurationDialogData", "C&ancel", 0, QApplication::UnicodeUTF8));
00571     cancel_button->setShortcut(QString());
00572     reset_button->setToolTip(QApplication::translate("CharmmConfigurationDialogData", "Reset settings to default values", 0, QApplication::UnicodeUTF8));
00573     reset_button->setText(QApplication::translate("CharmmConfigurationDialogData", "Defaults", 0, QApplication::UnicodeUTF8));
00574     reset_button->setShortcut(QString());
00575     CharmmFF_Options->setTitle(QApplication::translate("CharmmConfigurationDialogData", "Options", 0, QApplication::UnicodeUTF8));
00576     scaling_vdw_1_4_label->setText(QApplication::translate("CharmmConfigurationDialogData", "Electrostatic 1-4 scaling factor", 0, QApplication::UnicodeUTF8));
00577     solvation_cuton_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "7.0", 0, QApplication::UnicodeUTF8));
00578     electrostatic_cutoff_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "9.0", 0, QApplication::UnicodeUTF8));
00579     nonbonded_cutoff_label_2->setText(QApplication::translate("CharmmConfigurationDialogData", "\303\205", 0, QApplication::UnicodeUTF8));
00580     scaling_electrostatic_1_4_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "1.0", 0, QApplication::UnicodeUTF8));
00581     solvation_cutoff_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "9.0", 0, QApplication::UnicodeUTF8));
00582     nonbonded_cutoff_label_2_2_3_3->setText(QApplication::translate("CharmmConfigurationDialogData", "\303\205 /", 0, QApplication::UnicodeUTF8));
00583     solvation_cutoff_label->setText(QApplication::translate("CharmmConfigurationDialogData", "Solvation cutoff/cuton distance (EEF1 only)", 0, QApplication::UnicodeUTF8));
00584     scaling_electrostatic_1_4_label->setText(QApplication::translate("CharmmConfigurationDialogData", "van der Waals 1-4 scaling factor", 0, QApplication::UnicodeUTF8));
00585     nonbonded_cutoff_label->setText(QApplication::translate("CharmmConfigurationDialogData", "Nonbonded cutoff distance", 0, QApplication::UnicodeUTF8));
00586     nonbonded_cutoff_label_2_2_3->setText(QApplication::translate("CharmmConfigurationDialogData", "\303\205 /", 0, QApplication::UnicodeUTF8));
00587     vdw_cutoff_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "9.0", 0, QApplication::UnicodeUTF8));
00588     nonbonded_cutoff_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "20.0", 0, QApplication::UnicodeUTF8));
00589     scaling_vdw_1_4_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "2.0", 0, QApplication::UnicodeUTF8));
00590     nonbonded_cutoff_label_2_2_3_2->setText(QApplication::translate("CharmmConfigurationDialogData", "\303\205 /", 0, QApplication::UnicodeUTF8));
00591     electrostatic_cuton_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "7.0", 0, QApplication::UnicodeUTF8));
00592     electrostatic_cutoff_label->setText(QApplication::translate("CharmmConfigurationDialogData", "Electrostatic cutoff/cuton distance", 0, QApplication::UnicodeUTF8));
00593     vdw_cuton_line_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "7.0", 0, QApplication::UnicodeUTF8));
00594     vdw_cutoff_label->setText(QApplication::translate("CharmmConfigurationDialogData", "van der Waals cutoff/cuton distance", 0, QApplication::UnicodeUTF8));
00595     nonbonded_cutoff_label_2_4->setText(QApplication::translate("CharmmConfigurationDialogData", "\303\205", 0, QApplication::UnicodeUTF8));
00596     nonbonded_cutoff_label_2_3->setText(QApplication::translate("CharmmConfigurationDialogData", "\303\205", 0, QApplication::UnicodeUTF8));
00597     nonbonded_cutoff_label_2_2->setText(QApplication::translate("CharmmConfigurationDialogData", "\303\205", 0, QApplication::UnicodeUTF8));
00598     dielectric_group->setTitle(QApplication::translate("CharmmConfigurationDialogData", "Dielectric Constant", 0, QApplication::UnicodeUTF8));
00599     constant_button->setText(QApplication::translate("CharmmConfigurationDialogData", "constant", 0, QApplication::UnicodeUTF8));
00600     distance_button->setText(QApplication::translate("CharmmConfigurationDialogData", "distance dependent", 0, QApplication::UnicodeUTF8));
00601     groupBox->setTitle(QApplication::translate("CharmmConfigurationDialogData", "Components", 0, QApplication::UnicodeUTF8));
00602     use_eef1_checkBox->setText(QApplication::translate("CharmmConfigurationDialogData", "Solvation (EEF1)", 0, QApplication::UnicodeUTF8));
00603     NB_box->setText(QApplication::translate("CharmmConfigurationDialogData", "NonBonded", 0, QApplication::UnicodeUTF8));
00604     itorsions_box->setText(QApplication::translate("CharmmConfigurationDialogData", "Improper Torsions", 0, QApplication::UnicodeUTF8));
00605     torsions_box->setText(QApplication::translate("CharmmConfigurationDialogData", "Torsions", 0, QApplication::UnicodeUTF8));
00606     stretches_box->setText(QApplication::translate("CharmmConfigurationDialogData", "Stretches", 0, QApplication::UnicodeUTF8));
00607     bends_box->setText(QApplication::translate("CharmmConfigurationDialogData", "Bends", 0, QApplication::UnicodeUTF8));
00608     check_options->setTitle(QApplication::translate("CharmmConfigurationDialogData", "Charge and Type Assignment", 0, QApplication::UnicodeUTF8));
00609     overwrite_typenames_checkBox->setText(QApplication::translate("CharmmConfigurationDialogData", "Overwrite type names", 0, QApplication::UnicodeUTF8));
00610     assign_charges_checkBox->setText(QApplication::translate("CharmmConfigurationDialogData", "Assign charges", 0, QApplication::UnicodeUTF8));
00611     assign_typenames_checkBox->setText(QApplication::translate("CharmmConfigurationDialogData", "Assign type names", 0, QApplication::UnicodeUTF8));
00612     assign_types_checkBox->setText(QApplication::translate("CharmmConfigurationDialogData", "Assign (numeric types)", 0, QApplication::UnicodeUTF8));
00613     overwrite_charges_checkBox->setText(QApplication::translate("CharmmConfigurationDialogData", "Overwrite charges", 0, QApplication::UnicodeUTF8));
00614     groupBox21->setTitle(QApplication::translate("CharmmConfigurationDialogData", "Parameter Set", 0, QApplication::UnicodeUTF8));
00615     Label_10->setText(QApplication::translate("CharmmConfigurationDialogData", "Filename", 0, QApplication::UnicodeUTF8));
00616     parameter_file_edit->setText(QApplication::translate("CharmmConfigurationDialogData", "CHARMM/EEF1/param19_eef1.ini", 0, QApplication::UnicodeUTF8));
00617     browse_button->setToolTip(QApplication::translate("CharmmConfigurationDialogData", "Browse your computer for CHARMM file", 0, QApplication::UnicodeUTF8));
00618     browse_button->setText(QApplication::translate("CharmmConfigurationDialogData", "Browse", 0, QApplication::UnicodeUTF8));
00619     groupBox20->setTitle(QApplication::translate("CharmmConfigurationDialogData", "Setup Error Handling", 0, QApplication::UnicodeUTF8));
00620     max_unassigned_atoms->setText(QApplication::translate("CharmmConfigurationDialogData", "10", 0, QApplication::UnicodeUTF8));
00621     textLabel1->setText(QApplication::translate("CharmmConfigurationDialogData", "Maximum number of unassigned atoms before aborting setup", 0, QApplication::UnicodeUTF8));
00622     Q_UNUSED(CharmmConfigurationDialogData);
00623     } // retranslateUi
00624 
00625 };
00626 
00627 namespace Ui {
00628     class CharmmConfigurationDialogData: public Ui_CharmmConfigurationDialogData {};
00629 } // namespace Ui
00630 
00631 #endif // CHARMMCONFIGURATIONDIALOGDATA_H