BALL: MMFF94ConfigurationDialogData.h Source File

00001 /********************************************************************************
00002 ** Form generated from reading ui file 'MMFF94ConfigurationDialog.ui'
00003 **
00004 ** Created: Wed Mar 5 12:27:14 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 MMFF94CONFIGURATIONDIALOGDATA_H
00011 #define MMFF94CONFIGURATIONDIALOGDATA_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/QVBoxLayout>
00028 
00029 class Ui_MMFF94ConfigurationDialogData
00030 {
00031 public:
00032     QGridLayout *gridLayout;
00033     QHBoxLayout *hboxLayout;
00034     QPushButton *close_button;
00035     QPushButton *cancel_button;
00036     QPushButton *reset_button;
00037     QGroupBox *cutoff_options;
00038     QGridLayout *gridLayout1;
00039     QLineEdit *nonbonded_cutoff;
00040     QLineEdit *vdw_cutoff;
00041     QLineEdit *electrostatic_cutoff;
00042     QLabel *nonbonded_cutoff_label_2;
00043     QLabel *nonbonded_cutoff_label_2_2_3;
00044     QLabel *nonbonded_cutoff_label_2_2_3_2;
00045     QLineEdit *vdw_cuton;
00046     QLineEdit *electrostatic_cuton;
00047     QLabel *nonbonded_cutoff_label_2_2;
00048     QLabel *nonbonded_cutoff_label_2_2_2;
00049     QLabel *nonbonded_cutoff_label;
00050     QLabel *vdw_cutoff_label;
00051     QLabel *electrostatic_cutoff_label;
00052     QGroupBox *dielectric_group;
00053     QHBoxLayout *hboxLayout1;
00054     QRadioButton *constant_button;
00055     QRadioButton *distance_button;
00056     QGroupBox *groupBox11;
00057     QHBoxLayout *hboxLayout2;
00058     QLabel *textLabel1;
00059     QLineEdit *max_unassigned_atoms;
00060     QGroupBox *groupBox12;
00061     QHBoxLayout *hboxLayout3;
00062     QLabel *Label_10;
00063     QLineEdit *parameter_file_edit;
00064     QPushButton *browse_button;
00065     QGroupBox *groupBox;
00066     QVBoxLayout *vboxLayout;
00067     QCheckBox *stretch_box;
00068     QCheckBox *bends_box;
00069     QCheckBox *stretch_bends_box;
00070     QCheckBox *torsions_box;
00071     QCheckBox *plane_box;
00072     QCheckBox *vdw_box;
00073     QCheckBox *es_box;
00074     QGroupBox *check_options;
00075     QVBoxLayout *vboxLayout1;
00076     QCheckBox *assign_charges_checkBox;
00077     QCheckBox *assign_typenames_checkBox;
00078     QCheckBox *assign_types_checkBox;
00079     QCheckBox *overwrite_charges_checkBox;
00080     QCheckBox *overwrite_typenames_checkBox;
00081 
00082     void setupUi(QDialog *MMFF94ConfigurationDialogData)
00083     {
00084     MMFF94ConfigurationDialogData->setObjectName(QString::fromUtf8("MMFF94ConfigurationDialogData"));
00085     QSizePolicy sizePolicy(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(5));
00086     sizePolicy.setHorizontalStretch(0);
00087     sizePolicy.setVerticalStretch(0);
00088     sizePolicy.setHeightForWidth(MMFF94ConfigurationDialogData->sizePolicy().hasHeightForWidth());
00089     MMFF94ConfigurationDialogData->setSizePolicy(sizePolicy);
00090     MMFF94ConfigurationDialogData->setMinimumSize(QSize(0, 0));
00091     MMFF94ConfigurationDialogData->setMaximumSize(QSize(6500, 4900));
00092     gridLayout = new QGridLayout(MMFF94ConfigurationDialogData);
00093     gridLayout->setSpacing(6);
00094     gridLayout->setMargin(5);
00095     gridLayout->setObjectName(QString::fromUtf8("gridLayout"));
00096     hboxLayout = new QHBoxLayout();
00097     hboxLayout->setSpacing(6);
00098     hboxLayout->setMargin(0);
00099     hboxLayout->setObjectName(QString::fromUtf8("hboxLayout"));
00100     close_button = new QPushButton(MMFF94ConfigurationDialogData);
00101     close_button->setObjectName(QString::fromUtf8("close_button"));
00102     QSizePolicy sizePolicy1(static_cast<QSizePolicy::Policy>(3), static_cast<QSizePolicy::Policy>(0));
00103     sizePolicy1.setHorizontalStretch(0);
00104     sizePolicy1.setVerticalStretch(0);
00105     sizePolicy1.setHeightForWidth(close_button->sizePolicy().hasHeightForWidth());
00106     close_button->setSizePolicy(sizePolicy1);
00107     close_button->setMinimumSize(QSize(0, 30));
00108     close_button->setDefault(true);
00109 
00110     hboxLayout->addWidget(close_button);
00111 
00112     cancel_button = new QPushButton(MMFF94ConfigurationDialogData);
00113     cancel_button->setObjectName(QString::fromUtf8("cancel_button"));
00114     QSizePolicy sizePolicy2(static_cast<QSizePolicy::Policy>(3), static_cast<QSizePolicy::Policy>(0));
00115     sizePolicy2.setHorizontalStretch(0);
00116     sizePolicy2.setVerticalStretch(0);
00117     sizePolicy2.setHeightForWidth(cancel_button->sizePolicy().hasHeightForWidth());
00118     cancel_button->setSizePolicy(sizePolicy2);
00119     cancel_button->setMinimumSize(QSize(0, 30));
00120 
00121     hboxLayout->addWidget(cancel_button);
00122 
00123     reset_button = new QPushButton(MMFF94ConfigurationDialogData);
00124     reset_button->setObjectName(QString::fromUtf8("reset_button"));
00125     QSizePolicy sizePolicy3(static_cast<QSizePolicy::Policy>(3), static_cast<QSizePolicy::Policy>(0));
00126     sizePolicy3.setHorizontalStretch(0);
00127     sizePolicy3.setVerticalStretch(0);
00128     sizePolicy3.setHeightForWidth(reset_button->sizePolicy().hasHeightForWidth());
00129     reset_button->setSizePolicy(sizePolicy3);
00130     reset_button->setMinimumSize(QSize(0, 30));
00131 
00132     hboxLayout->addWidget(reset_button);
00133 
00134 
00135     gridLayout->addLayout(hboxLayout, 5, 0, 1, 2);
00136 
00137     cutoff_options = new QGroupBox(MMFF94ConfigurationDialogData);
00138     cutoff_options->setObjectName(QString::fromUtf8("cutoff_options"));
00139     cutoff_options->setMinimumSize(QSize(520, 0));
00140     cutoff_options->setAlignment(Qt::AlignHCenter);
00141     gridLayout1 = new QGridLayout(cutoff_options);
00142     gridLayout1->setSpacing(6);
00143     gridLayout1->setMargin(5);
00144     gridLayout1->setObjectName(QString::fromUtf8("gridLayout1"));
00145     nonbonded_cutoff = new QLineEdit(cutoff_options);
00146     nonbonded_cutoff->setObjectName(QString::fromUtf8("nonbonded_cutoff"));
00147     QSizePolicy sizePolicy4(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(0));
00148     sizePolicy4.setHorizontalStretch(0);
00149     sizePolicy4.setVerticalStretch(0);
00150     sizePolicy4.setHeightForWidth(nonbonded_cutoff->sizePolicy().hasHeightForWidth());
00151     nonbonded_cutoff->setSizePolicy(sizePolicy4);
00152     nonbonded_cutoff->setMinimumSize(QSize(0, 25));
00153     nonbonded_cutoff->setMaxLength(32767);
00154     nonbonded_cutoff->setFrame(true);
00155     nonbonded_cutoff->setEchoMode(QLineEdit::Normal);
00156     nonbonded_cutoff->setAlignment(Qt::AlignRight);
00157 
00158     gridLayout1->addWidget(nonbonded_cutoff, 0, 1, 1, 1);
00159 
00160     vdw_cutoff = new QLineEdit(cutoff_options);
00161     vdw_cutoff->setObjectName(QString::fromUtf8("vdw_cutoff"));
00162     vdw_cutoff->setEnabled(true);
00163     QSizePolicy sizePolicy5(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(0));
00164     sizePolicy5.setHorizontalStretch(0);
00165     sizePolicy5.setVerticalStretch(0);
00166     sizePolicy5.setHeightForWidth(vdw_cutoff->sizePolicy().hasHeightForWidth());
00167     vdw_cutoff->setSizePolicy(sizePolicy5);
00168     vdw_cutoff->setMinimumSize(QSize(0, 25));
00169     vdw_cutoff->setFrame(true);
00170     vdw_cutoff->setEchoMode(QLineEdit::Normal);
00171     vdw_cutoff->setAlignment(Qt::AlignRight);
00172 
00173     gridLayout1->addWidget(vdw_cutoff, 1, 1, 1, 1);
00174 
00175     electrostatic_cutoff = new QLineEdit(cutoff_options);
00176     electrostatic_cutoff->setObjectName(QString::fromUtf8("electrostatic_cutoff"));
00177     electrostatic_cutoff->setEnabled(true);
00178     electrostatic_cutoff->setMinimumSize(QSize(0, 25));
00179     electrostatic_cutoff->setAlignment(Qt::AlignRight);
00180 
00181     gridLayout1->addWidget(electrostatic_cutoff, 2, 1, 1, 1);
00182 
00183     nonbonded_cutoff_label_2 = new QLabel(cutoff_options);
00184     nonbonded_cutoff_label_2->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2"));
00185     QSizePolicy sizePolicy6(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(5));
00186     sizePolicy6.setHorizontalStretch(0);
00187     sizePolicy6.setVerticalStretch(0);
00188     sizePolicy6.setHeightForWidth(nonbonded_cutoff_label_2->sizePolicy().hasHeightForWidth());
00189     nonbonded_cutoff_label_2->setSizePolicy(sizePolicy6);
00190     nonbonded_cutoff_label_2->setMinimumSize(QSize(25, 0));
00191     nonbonded_cutoff_label_2->setMaximumSize(QSize(30, 32767));
00192 
00193     gridLayout1->addWidget(nonbonded_cutoff_label_2, 0, 2, 1, 1);
00194 
00195     nonbonded_cutoff_label_2_2_3 = new QLabel(cutoff_options);
00196     nonbonded_cutoff_label_2_2_3->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_2_3"));
00197     QSizePolicy sizePolicy7(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(5));
00198     sizePolicy7.setHorizontalStretch(0);
00199     sizePolicy7.setVerticalStretch(0);
00200     sizePolicy7.setHeightForWidth(nonbonded_cutoff_label_2_2_3->sizePolicy().hasHeightForWidth());
00201     nonbonded_cutoff_label_2_2_3->setSizePolicy(sizePolicy7);
00202     nonbonded_cutoff_label_2_2_3->setMinimumSize(QSize(25, 0));
00203     nonbonded_cutoff_label_2_2_3->setMaximumSize(QSize(30, 32767));
00204 
00205     gridLayout1->addWidget(nonbonded_cutoff_label_2_2_3, 1, 2, 1, 1);
00206 
00207     nonbonded_cutoff_label_2_2_3_2 = new QLabel(cutoff_options);
00208     nonbonded_cutoff_label_2_2_3_2->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_2_3_2"));
00209     QSizePolicy sizePolicy8(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(5));
00210     sizePolicy8.setHorizontalStretch(0);
00211     sizePolicy8.setVerticalStretch(0);
00212     sizePolicy8.setHeightForWidth(nonbonded_cutoff_label_2_2_3_2->sizePolicy().hasHeightForWidth());
00213     nonbonded_cutoff_label_2_2_3_2->setSizePolicy(sizePolicy8);
00214     nonbonded_cutoff_label_2_2_3_2->setMinimumSize(QSize(25, 0));
00215     nonbonded_cutoff_label_2_2_3_2->setMaximumSize(QSize(30, 32767));
00216 
00217     gridLayout1->addWidget(nonbonded_cutoff_label_2_2_3_2, 2, 2, 1, 1);
00218 
00219     vdw_cuton = new QLineEdit(cutoff_options);
00220     vdw_cuton->setObjectName(QString::fromUtf8("vdw_cuton"));
00221     vdw_cuton->setEnabled(true);
00222     vdw_cuton->setAlignment(Qt::AlignRight);
00223 
00224     gridLayout1->addWidget(vdw_cuton, 1, 3, 1, 1);
00225 
00226     electrostatic_cuton = new QLineEdit(cutoff_options);
00227     electrostatic_cuton->setObjectName(QString::fromUtf8("electrostatic_cuton"));
00228     electrostatic_cuton->setEnabled(true);
00229     electrostatic_cuton->setAlignment(Qt::AlignRight);
00230 
00231     gridLayout1->addWidget(electrostatic_cuton, 2, 3, 1, 1);
00232 
00233     nonbonded_cutoff_label_2_2 = new QLabel(cutoff_options);
00234     nonbonded_cutoff_label_2_2->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_2"));
00235     QSizePolicy sizePolicy9(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(5));
00236     sizePolicy9.setHorizontalStretch(0);
00237     sizePolicy9.setVerticalStretch(0);
00238     sizePolicy9.setHeightForWidth(nonbonded_cutoff_label_2_2->sizePolicy().hasHeightForWidth());
00239     nonbonded_cutoff_label_2_2->setSizePolicy(sizePolicy9);
00240     nonbonded_cutoff_label_2_2->setMinimumSize(QSize(15, 0));
00241     nonbonded_cutoff_label_2_2->setMaximumSize(QSize(30, 32767));
00242 
00243     gridLayout1->addWidget(nonbonded_cutoff_label_2_2, 1, 4, 1, 1);
00244 
00245     nonbonded_cutoff_label_2_2_2 = new QLabel(cutoff_options);
00246     nonbonded_cutoff_label_2_2_2->setObjectName(QString::fromUtf8("nonbonded_cutoff_label_2_2_2"));
00247     QSizePolicy sizePolicy10(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(5));
00248     sizePolicy10.setHorizontalStretch(0);
00249     sizePolicy10.setVerticalStretch(0);
00250     sizePolicy10.setHeightForWidth(nonbonded_cutoff_label_2_2_2->sizePolicy().hasHeightForWidth());
00251     nonbonded_cutoff_label_2_2_2->setSizePolicy(sizePolicy10);
00252     nonbonded_cutoff_label_2_2_2->setMinimumSize(QSize(15, 0));
00253     nonbonded_cutoff_label_2_2_2->setMaximumSize(QSize(30, 32767));
00254 
00255     gridLayout1->addWidget(nonbonded_cutoff_label_2_2_2, 2, 4, 1, 1);
00256 
00257     nonbonded_cutoff_label = new QLabel(cutoff_options);
00258     nonbonded_cutoff_label->setObjectName(QString::fromUtf8("nonbonded_cutoff_label"));
00259     QSizePolicy sizePolicy11(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(5));
00260     sizePolicy11.setHorizontalStretch(0);
00261     sizePolicy11.setVerticalStretch(0);
00262     sizePolicy11.setHeightForWidth(nonbonded_cutoff_label->sizePolicy().hasHeightForWidth());
00263     nonbonded_cutoff_label->setSizePolicy(sizePolicy11);
00264     nonbonded_cutoff_label->setMinimumSize(QSize(260, 25));
00265 
00266     gridLayout1->addWidget(nonbonded_cutoff_label, 0, 0, 1, 1);
00267 
00268     vdw_cutoff_label = new QLabel(cutoff_options);
00269     vdw_cutoff_label->setObjectName(QString::fromUtf8("vdw_cutoff_label"));
00270     QSizePolicy sizePolicy12(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(5));
00271     sizePolicy12.setHorizontalStretch(0);
00272     sizePolicy12.setVerticalStretch(0);
00273     sizePolicy12.setHeightForWidth(vdw_cutoff_label->sizePolicy().hasHeightForWidth());
00274     vdw_cutoff_label->setSizePolicy(sizePolicy12);
00275     vdw_cutoff_label->setMinimumSize(QSize(260, 25));
00276 
00277     gridLayout1->addWidget(vdw_cutoff_label, 1, 0, 1, 1);
00278 
00279     electrostatic_cutoff_label = new QLabel(cutoff_options);
00280     electrostatic_cutoff_label->setObjectName(QString::fromUtf8("electrostatic_cutoff_label"));
00281     QSizePolicy sizePolicy13(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(5));
00282     sizePolicy13.setHorizontalStretch(0);
00283     sizePolicy13.setVerticalStretch(0);
00284     sizePolicy13.setHeightForWidth(electrostatic_cutoff_label->sizePolicy().hasHeightForWidth());
00285     electrostatic_cutoff_label->setSizePolicy(sizePolicy13);
00286     electrostatic_cutoff_label->setMinimumSize(QSize(260, 25));
00287 
00288     gridLayout1->addWidget(electrostatic_cutoff_label, 2, 0, 1, 1);
00289 
00290 
00291     gridLayout->addWidget(cutoff_options, 4, 0, 1, 2);
00292 
00293     dielectric_group = new QGroupBox(MMFF94ConfigurationDialogData);
00294     dielectric_group->setObjectName(QString::fromUtf8("dielectric_group"));
00295     QSizePolicy sizePolicy14(static_cast<QSizePolicy::Policy>(1), static_cast<QSizePolicy::Policy>(1));
00296     sizePolicy14.setHorizontalStretch(0);
00297     sizePolicy14.setVerticalStretch(0);
00298     sizePolicy14.setHeightForWidth(dielectric_group->sizePolicy().hasHeightForWidth());
00299     dielectric_group->setSizePolicy(sizePolicy14);
00300     dielectric_group->setMinimumSize(QSize(180, 0));
00301     dielectric_group->setAlignment(Qt::AlignHCenter);
00302     hboxLayout1 = new QHBoxLayout(dielectric_group);
00303     hboxLayout1->setSpacing(6);
00304     hboxLayout1->setMargin(5);
00305     hboxLayout1->setObjectName(QString::fromUtf8("hboxLayout1"));
00306     constant_button = new QRadioButton(dielectric_group);
00307     constant_button->setObjectName(QString::fromUtf8("constant_button"));
00308     QSizePolicy sizePolicy15(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(1));
00309     sizePolicy15.setHorizontalStretch(0);
00310     sizePolicy15.setVerticalStretch(0);
00311     sizePolicy15.setHeightForWidth(constant_button->sizePolicy().hasHeightForWidth());
00312     constant_button->setSizePolicy(sizePolicy15);
00313     constant_button->setMinimumSize(QSize(0, 0));
00314     constant_button->setMaximumSize(QSize(32000, 32767));
00315     constant_button->setChecked(true);
00316 
00317     hboxLayout1->addWidget(constant_button);
00318 
00319     distance_button = new QRadioButton(dielectric_group);
00320     distance_button->setObjectName(QString::fromUtf8("distance_button"));
00321     QSizePolicy sizePolicy16(static_cast<QSizePolicy::Policy>(3), static_cast<QSizePolicy::Policy>(1));
00322     sizePolicy16.setHorizontalStretch(0);
00323     sizePolicy16.setVerticalStretch(0);
00324     sizePolicy16.setHeightForWidth(distance_button->sizePolicy().hasHeightForWidth());
00325     distance_button->setSizePolicy(sizePolicy16);
00326     distance_button->setMinimumSize(QSize(0, 0));
00327 
00328     hboxLayout1->addWidget(distance_button);
00329 
00330 
00331     gridLayout->addWidget(dielectric_group, 3, 0, 1, 2);
00332 
00333     groupBox11 = new QGroupBox(MMFF94ConfigurationDialogData);
00334     groupBox11->setObjectName(QString::fromUtf8("groupBox11"));
00335     groupBox11->setAlignment(Qt::AlignHCenter);
00336     hboxLayout2 = new QHBoxLayout(groupBox11);
00337     hboxLayout2->setSpacing(6);
00338     hboxLayout2->setMargin(5);
00339     hboxLayout2->setObjectName(QString::fromUtf8("hboxLayout2"));
00340     textLabel1 = new QLabel(groupBox11);
00341     textLabel1->setObjectName(QString::fromUtf8("textLabel1"));
00342     QSizePolicy sizePolicy17(static_cast<QSizePolicy::Policy>(7), static_cast<QSizePolicy::Policy>(1));
00343     sizePolicy17.setHorizontalStretch(0);
00344     sizePolicy17.setVerticalStretch(0);
00345     sizePolicy17.setHeightForWidth(textLabel1->sizePolicy().hasHeightForWidth());
00346     textLabel1->setSizePolicy(sizePolicy17);
00347     textLabel1->setMinimumSize(QSize(0, 28));
00348     textLabel1->setAlignment(Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter);
00349 
00350     hboxLayout2->addWidget(textLabel1);
00351 
00352     max_unassigned_atoms = new QLineEdit(groupBox11);
00353     max_unassigned_atoms->setObjectName(QString::fromUtf8("max_unassigned_atoms"));
00354     max_unassigned_atoms->setMinimumSize(QSize(100, 25));
00355     max_unassigned_atoms->setMaximumSize(QSize(100, 25));
00356     max_unassigned_atoms->setAlignment(Qt::AlignRight);
00357 
00358     hboxLayout2->addWidget(max_unassigned_atoms);
00359 
00360 
00361     gridLayout->addWidget(groupBox11, 1, 0, 1, 2);
00362 
00363     groupBox12 = new QGroupBox(MMFF94ConfigurationDialogData);
00364     groupBox12->setObjectName(QString::fromUtf8("groupBox12"));
00365     groupBox12->setAlignment(Qt::AlignHCenter);
00366     hboxLayout3 = new QHBoxLayout(groupBox12);
00367     hboxLayout3->setSpacing(6);
00368     hboxLayout3->setMargin(5);
00369     hboxLayout3->setObjectName(QString::fromUtf8("hboxLayout3"));
00370     Label_10 = new QLabel(groupBox12);
00371     Label_10->setObjectName(QString::fromUtf8("Label_10"));
00372     QSizePolicy sizePolicy18(static_cast<QSizePolicy::Policy>(5), static_cast<QSizePolicy::Policy>(1));
00373     sizePolicy18.setHorizontalStretch(0);
00374     sizePolicy18.setVerticalStretch(0);
00375     sizePolicy18.setHeightForWidth(Label_10->sizePolicy().hasHeightForWidth());
00376     Label_10->setSizePolicy(sizePolicy18);
00377     Label_10->setMinimumSize(QSize(0, 25));
00378     Label_10->setFocusPolicy(Qt::NoFocus);
00379     Label_10->setLineWidth(1);
00380     Label_10->setTextFormat(Qt::AutoText);
00381     Label_10->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter);
00382 
00383     hboxLayout3->addWidget(Label_10);
00384 
00385     parameter_file_edit = new QLineEdit(groupBox12);
00386     parameter_file_edit->setObjectName(QString::fromUtf8("parameter_file_edit"));
00387     parameter_file_edit->setMinimumSize(QSize(150, 25));
00388     parameter_file_edit->setFocusPolicy(Qt::StrongFocus);
00389     parameter_file_edit->setMaxLength(32767);
00390     parameter_file_edit->setFrame(true);
00391     parameter_file_edit->setEchoMode(QLineEdit::Normal);
00392     parameter_file_edit->setAlignment(Qt::AlignLeading);
00393 
00394     hboxLayout3->addWidget(parameter_file_edit);
00395 
00396     browse_button = new QPushButton(groupBox12);
00397     browse_button->setObjectName(QString::fromUtf8("browse_button"));
00398     browse_button->setMinimumSize(QSize(50, 25));
00399     browse_button->setFocusPolicy(Qt::TabFocus);
00400     browse_button->setAutoDefault(true);
00401 
00402     hboxLayout3->addWidget(browse_button);
00403 
00404 
00405     gridLayout->addWidget(groupBox12, 0, 0, 1, 2);
00406 
00407     groupBox = new QGroupBox(MMFF94ConfigurationDialogData);
00408     groupBox->setObjectName(QString::fromUtf8("groupBox"));
00409     groupBox->setAlignment(Qt::AlignHCenter);
00410     vboxLayout = new QVBoxLayout(groupBox);
00411     vboxLayout->setSpacing(5);
00412     vboxLayout->setMargin(5);
00413     vboxLayout->setObjectName(QString::fromUtf8("vboxLayout"));
00414     stretch_box = new QCheckBox(groupBox);
00415     stretch_box->setObjectName(QString::fromUtf8("stretch_box"));
00416     stretch_box->setChecked(true);
00417 
00418     vboxLayout->addWidget(stretch_box);
00419 
00420     bends_box = new QCheckBox(groupBox);
00421     bends_box->setObjectName(QString::fromUtf8("bends_box"));
00422     bends_box->setChecked(true);
00423 
00424     vboxLayout->addWidget(bends_box);
00425 
00426     stretch_bends_box = new QCheckBox(groupBox);
00427     stretch_bends_box->setObjectName(QString::fromUtf8("stretch_bends_box"));
00428     stretch_bends_box->setChecked(true);
00429 
00430     vboxLayout->addWidget(stretch_bends_box);
00431 
00432     torsions_box = new QCheckBox(groupBox);
00433     torsions_box->setObjectName(QString::fromUtf8("torsions_box"));
00434     torsions_box->setChecked(true);
00435 
00436     vboxLayout->addWidget(torsions_box);
00437 
00438     plane_box = new QCheckBox(groupBox);
00439     plane_box->setObjectName(QString::fromUtf8("plane_box"));
00440     plane_box->setChecked(true);
00441 
00442     vboxLayout->addWidget(plane_box);
00443 
00444     vdw_box = new QCheckBox(groupBox);
00445     vdw_box->setObjectName(QString::fromUtf8("vdw_box"));
00446     vdw_box->setChecked(true);
00447 
00448     vboxLayout->addWidget(vdw_box);
00449 
00450     es_box = new QCheckBox(groupBox);
00451     es_box->setObjectName(QString::fromUtf8("es_box"));
00452     es_box->setChecked(true);
00453 
00454     vboxLayout->addWidget(es_box);
00455 
00456 
00457     gridLayout->addWidget(groupBox, 2, 1, 1, 1);
00458 
00459     check_options = new QGroupBox(MMFF94ConfigurationDialogData);
00460     check_options->setObjectName(QString::fromUtf8("check_options"));
00461     check_options->setMinimumSize(QSize(0, 0));
00462     check_options->setAlignment(Qt::AlignHCenter);
00463     vboxLayout1 = new QVBoxLayout(check_options);
00464     vboxLayout1->setSpacing(6);
00465     vboxLayout1->setMargin(9);
00466     vboxLayout1->setObjectName(QString::fromUtf8("vboxLayout1"));
00467     assign_charges_checkBox = new QCheckBox(check_options);
00468     assign_charges_checkBox->setObjectName(QString::fromUtf8("assign_charges_checkBox"));
00469     assign_charges_checkBox->setMinimumSize(QSize(140, 0));
00470     assign_charges_checkBox->setChecked(true);
00471 
00472     vboxLayout1->addWidget(assign_charges_checkBox);
00473 
00474     assign_typenames_checkBox = new QCheckBox(check_options);
00475     assign_typenames_checkBox->setObjectName(QString::fromUtf8("assign_typenames_checkBox"));
00476     assign_typenames_checkBox->setMinimumSize(QSize(165, 0));
00477     assign_typenames_checkBox->setChecked(true);
00478 
00479     vboxLayout1->addWidget(assign_typenames_checkBox);
00480 
00481     assign_types_checkBox = new QCheckBox(check_options);
00482     assign_types_checkBox->setObjectName(QString::fromUtf8("assign_types_checkBox"));
00483     assign_types_checkBox->setMinimumSize(QSize(140, 0));
00484     assign_types_checkBox->setChecked(true);
00485 
00486     vboxLayout1->addWidget(assign_types_checkBox);
00487 
00488     overwrite_charges_checkBox = new QCheckBox(check_options);
00489     overwrite_charges_checkBox->setObjectName(QString::fromUtf8("overwrite_charges_checkBox"));
00490     overwrite_charges_checkBox->setMinimumSize(QSize(155, 0));
00491     overwrite_charges_checkBox->setChecked(true);
00492 
00493     vboxLayout1->addWidget(overwrite_charges_checkBox);
00494 
00495     overwrite_typenames_checkBox = new QCheckBox(check_options);
00496     overwrite_typenames_checkBox->setObjectName(QString::fromUtf8("overwrite_typenames_checkBox"));
00497     overwrite_typenames_checkBox->setMinimumSize(QSize(155, 0));
00498     overwrite_typenames_checkBox->setChecked(true);
00499 
00500     vboxLayout1->addWidget(overwrite_typenames_checkBox);
00501 
00502 
00503     gridLayout->addWidget(check_options, 2, 0, 1, 1);
00504 
00505     nonbonded_cutoff_label_2->setBuddy(nonbonded_cutoff);
00506     nonbonded_cutoff_label_2_2_3->setBuddy(nonbonded_cutoff);
00507     nonbonded_cutoff_label_2_2_3_2->setBuddy(nonbonded_cutoff);
00508     nonbonded_cutoff_label_2_2->setBuddy(nonbonded_cutoff);
00509     nonbonded_cutoff_label_2_2_2->setBuddy(nonbonded_cutoff);
00510     nonbonded_cutoff_label->setBuddy(nonbonded_cutoff);
00511     vdw_cutoff_label->setBuddy(vdw_cutoff);
00512     QWidget::setTabOrder(parameter_file_edit, browse_button);
00513     QWidget::setTabOrder(browse_button, max_unassigned_atoms);
00514     QWidget::setTabOrder(max_unassigned_atoms, assign_charges_checkBox);
00515     QWidget::setTabOrder(assign_charges_checkBox, assign_typenames_checkBox);
00516     QWidget::setTabOrder(assign_typenames_checkBox, assign_types_checkBox);
00517     QWidget::setTabOrder(assign_types_checkBox, overwrite_charges_checkBox);
00518     QWidget::setTabOrder(overwrite_charges_checkBox, overwrite_typenames_checkBox);
00519     QWidget::setTabOrder(overwrite_typenames_checkBox, stretch_box);
00520     QWidget::setTabOrder(stretch_box, bends_box);
00521     QWidget::setTabOrder(bends_box, stretch_bends_box);
00522     QWidget::setTabOrder(stretch_bends_box, torsions_box);
00523     QWidget::setTabOrder(torsions_box, plane_box);
00524     QWidget::setTabOrder(plane_box, vdw_box);
00525     QWidget::setTabOrder(vdw_box, es_box);
00526     QWidget::setTabOrder(es_box, constant_button);
00527     QWidget::setTabOrder(constant_button, distance_button);
00528     QWidget::setTabOrder(distance_button, nonbonded_cutoff);
00529     QWidget::setTabOrder(nonbonded_cutoff, vdw_cutoff);
00530     QWidget::setTabOrder(vdw_cutoff, electrostatic_cutoff);
00531     QWidget::setTabOrder(electrostatic_cutoff, vdw_cuton);
00532     QWidget::setTabOrder(vdw_cuton, electrostatic_cuton);
00533     QWidget::setTabOrder(electrostatic_cuton, close_button);
00534     QWidget::setTabOrder(close_button, cancel_button);
00535     QWidget::setTabOrder(cancel_button, reset_button);
00536 
00537     retranslateUi(MMFF94ConfigurationDialogData);
00538 
00539     QSize size(530, 584);
00540     size = size.expandedTo(MMFF94ConfigurationDialogData->minimumSizeHint());
00541     MMFF94ConfigurationDialogData->resize(size);
00542 
00543 
00544     QMetaObject::connectSlotsByName(MMFF94ConfigurationDialogData);
00545     } // setupUi
00546 
00547     void retranslateUi(QDialog *MMFF94ConfigurationDialogData)
00548     {
00549     MMFF94ConfigurationDialogData->setWindowTitle(QApplication::translate("MMFF94ConfigurationDialogData", "MMFF94 Options", 0, QApplication::UnicodeUTF8));
00550     close_button->setToolTip(QApplication::translate("MMFF94ConfigurationDialogData", "Close and save options", 0, QApplication::UnicodeUTF8));
00551     close_button->setText(QApplication::translate("MMFF94ConfigurationDialogData", "O&K", 0, QApplication::UnicodeUTF8));
00552     close_button->setShortcut(QString());
00553     cancel_button->setToolTip(QApplication::translate("MMFF94ConfigurationDialogData", "Close window and discard changes", 0, QApplication::UnicodeUTF8));
00554     cancel_button->setText(QApplication::translate("MMFF94ConfigurationDialogData", "C&ancel", 0, QApplication::UnicodeUTF8));
00555     cancel_button->setShortcut(QString());
00556     reset_button->setToolTip(QApplication::translate("MMFF94ConfigurationDialogData", "Reset all settings to default values", 0, QApplication::UnicodeUTF8));
00557     reset_button->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Defaults", 0, QApplication::UnicodeUTF8));
00558     reset_button->setShortcut(QString());
00559     cutoff_options->setTitle(QApplication::translate("MMFF94ConfigurationDialogData", "Switching options", 0, QApplication::UnicodeUTF8));
00560     nonbonded_cutoff->setText(QApplication::translate("MMFF94ConfigurationDialogData", "16.0", 0, QApplication::UnicodeUTF8));
00561     vdw_cutoff->setText(QApplication::translate("MMFF94ConfigurationDialogData", "15.0", 0, QApplication::UnicodeUTF8));
00562     electrostatic_cutoff->setText(QApplication::translate("MMFF94ConfigurationDialogData", "15.0", 0, QApplication::UnicodeUTF8));
00563     nonbonded_cutoff_label_2->setText(QApplication::translate("MMFF94ConfigurationDialogData", "\303\205", 0, QApplication::UnicodeUTF8));
00564     nonbonded_cutoff_label_2_2_3->setText(QApplication::translate("MMFF94ConfigurationDialogData", "\303\205 /", 0, QApplication::UnicodeUTF8));
00565     nonbonded_cutoff_label_2_2_3_2->setText(QApplication::translate("MMFF94ConfigurationDialogData", "\303\205 /", 0, QApplication::UnicodeUTF8));
00566     vdw_cuton->setText(QApplication::translate("MMFF94ConfigurationDialogData", "13.0", 0, QApplication::UnicodeUTF8));
00567     electrostatic_cuton->setText(QApplication::translate("MMFF94ConfigurationDialogData", "13.0", 0, QApplication::UnicodeUTF8));
00568     nonbonded_cutoff_label_2_2->setText(QApplication::translate("MMFF94ConfigurationDialogData", "\303\205", 0, QApplication::UnicodeUTF8));
00569     nonbonded_cutoff_label_2_2_2->setText(QApplication::translate("MMFF94ConfigurationDialogData", "\303\205", 0, QApplication::UnicodeUTF8));
00570     nonbonded_cutoff_label->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Nonbonded cutoff distance", 0, QApplication::UnicodeUTF8));
00571     vdw_cutoff_label->setText(QApplication::translate("MMFF94ConfigurationDialogData", "van der Waals cutoff/cuton distance", 0, QApplication::UnicodeUTF8));
00572     electrostatic_cutoff_label->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Electrostatic cutoff/cuton distance", 0, QApplication::UnicodeUTF8));
00573     dielectric_group->setTitle(QApplication::translate("MMFF94ConfigurationDialogData", "Dielectric Constant", 0, QApplication::UnicodeUTF8));
00574     constant_button->setText(QApplication::translate("MMFF94ConfigurationDialogData", "constant", 0, QApplication::UnicodeUTF8));
00575     distance_button->setText(QApplication::translate("MMFF94ConfigurationDialogData", "distance dependent", 0, QApplication::UnicodeUTF8));
00576     groupBox11->setTitle(QApplication::translate("MMFF94ConfigurationDialogData", "Setup Error Handling", 0, QApplication::UnicodeUTF8));
00577     textLabel1->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Maximum number of unassigned atoms before aborting setup", 0, QApplication::UnicodeUTF8));
00578     max_unassigned_atoms->setText(QApplication::translate("MMFF94ConfigurationDialogData", "10", 0, QApplication::UnicodeUTF8));
00579     groupBox12->setTitle(QApplication::translate("MMFF94ConfigurationDialogData", "Parameter Set", 0, QApplication::UnicodeUTF8));
00580     Label_10->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Folder", 0, QApplication::UnicodeUTF8));
00581     parameter_file_edit->setText(QApplication::translate("MMFF94ConfigurationDialogData", "MMFF94", 0, QApplication::UnicodeUTF8));
00582     browse_button->setToolTip(QApplication::translate("MMFF94ConfigurationDialogData", "Browse your computer for amber file", 0, QApplication::UnicodeUTF8));
00583     browse_button->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Browse", 0, QApplication::UnicodeUTF8));
00584     groupBox->setTitle(QApplication::translate("MMFF94ConfigurationDialogData", "Components", 0, QApplication::UnicodeUTF8));
00585     stretch_box->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Stretches", 0, QApplication::UnicodeUTF8));
00586     bends_box->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Bends", 0, QApplication::UnicodeUTF8));
00587     stretch_bends_box->setText(QApplication::translate("MMFF94ConfigurationDialogData", "StretchBends", 0, QApplication::UnicodeUTF8));
00588     torsions_box->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Torsions", 0, QApplication::UnicodeUTF8));
00589     plane_box->setText(QApplication::translate("MMFF94ConfigurationDialogData", "OutOfPlane", 0, QApplication::UnicodeUTF8));
00590     vdw_box->setText(QApplication::translate("MMFF94ConfigurationDialogData", "VDW", 0, QApplication::UnicodeUTF8));
00591     es_box->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Electrostatics", 0, QApplication::UnicodeUTF8));
00592     check_options->setTitle(QApplication::translate("MMFF94ConfigurationDialogData", "Charge and Type Assignment", 0, QApplication::UnicodeUTF8));
00593     assign_charges_checkBox->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Assign charges", 0, QApplication::UnicodeUTF8));
00594     assign_typenames_checkBox->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Assign type names", 0, QApplication::UnicodeUTF8));
00595     assign_types_checkBox->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Assign (numeric) types", 0, QApplication::UnicodeUTF8));
00596     overwrite_charges_checkBox->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Overwrite charges", 0, QApplication::UnicodeUTF8));
00597     overwrite_typenames_checkBox->setText(QApplication::translate("MMFF94ConfigurationDialogData", "Overwrite type names", 0, QApplication::UnicodeUTF8));
00598     Q_UNUSED(MMFF94ConfigurationDialogData);
00599     } // retranslateUi
00600 
00601 };
00602 
00603 namespace Ui {
00604     class MMFF94ConfigurationDialogData: public Ui_MMFF94ConfigurationDialogData {};
00605 } // namespace Ui
00606 
00607 #endif // MMFF94CONFIGURATIONDIALOGDATA_H