1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
|
#include <SDFInputDialog.h>
#include <BALL/QSAR/exception.h>
#include <QtGui/QMessageBox>
#include <QtGui/QPushButton>
#include <QtGui/QScrollArea>
#include <QtGui/QTableWidget>
#include <QtGui/QHeaderView>
using namespace BALL::QSAR::Exception;
using namespace BALL::VIEW;
InputDialog::InputDialog(InputDataItem* item):
input_ok_(false),
input_item_(item)
{
property_names_ = input_item_->data()->readPropertyNames(String(input_item_->filename().toStdString()));
QGridLayout* layout = new QGridLayout(this);
activity_edit_ = new QLineEdit();
center_descriptor_values_ = new QCheckBox("center descriptor values", this);
center_descriptor_values_->setChecked(true);
center_response_values_ = new QCheckBox("center response values",this);
center_response_values_->setChecked(true);
QDialogButtonBox* inputDialogButtons= new QDialogButtonBox(QDialogButtonBox::Ok |QDialogButtonBox::Cancel,Qt::Horizontal, this);
QString tmp;
QString message_string = QString("This input file contains "+ tmp.setNum(property_names_->size())+ " properties: <br>");
QStringList labels;
labels << "ID" <<"Property";
QTableWidget* table = new QTableWidget(property_names_->size(), 2, this);
table->verticalHeader()->hide();
table->setHorizontalHeaderLabels (labels);
table->setAlternatingRowColors(true);
table->setDragDropMode(QAbstractItemView::NoDragDrop);
table->setEditTriggers(QAbstractItemView::NoEditTriggers);
table->horizontalHeader()->setResizeMode(0,QHeaderView::ResizeToContents);
table->horizontalHeader()->setResizeMode(1,QHeaderView::Stretch);
for (unsigned int i=0; i< property_names_->size(); i++)
{
QTableWidgetItem* id = new QTableWidgetItem("[" + tmp.setNum(i) + "]");
table->setItem(i, 0, id);
QTableWidgetItem* name = new QTableWidgetItem(QString(property_names_->at(i).c_str()));
table->setItem(i, 1, name);
}
QScrollArea* scrollArea = new QScrollArea(this);
scrollArea->setHorizontalScrollBarPolicy(Qt::ScrollBarAsNeeded);
scrollArea->setVerticalScrollBarPolicy(Qt::ScrollBarAsNeeded);
scrollArea->setFrameShape(QFrame::NoFrame);
scrollArea->setWidget(table);
scrollArea->setWidgetResizable(true);
layout->addWidget(scrollArea, 1, 3, 5, 1,Qt::AlignHCenter);
message_string += "<br> Numbers of properties that are to be used as activities: <br> (comma separated)";
QLabel* alabel = new QLabel(message_string,this);
layout->addWidget(alabel,1,1,1,2);
layout->addWidget(activity_edit_,2,1,1,2);
layout->addWidget(center_descriptor_values_,3,1,Qt::AlignLeft);
layout->addWidget(center_response_values_,4,1,Qt::AlignLeft);;
layout->addWidget(inputDialogButtons,5,1,1,2, Qt::AlignHCenter);
this->setLayout(layout);
this->setWindowTitle("Preferences for " + input_item_->name());
connect(inputDialogButtons, SIGNAL(accepted()), this, SLOT(accept()));
connect(inputDialogButtons, SIGNAL(rejected()), this, SLOT(reject()));
}
InputDialog::InputDialog():
activity_edit_(NULL),
center_descriptor_values_(NULL),
center_response_values_(NULL)
{
}
InputDialog::~InputDialog()
{
delete activity_edit_;
delete center_descriptor_values_;
delete center_response_values_;
}
void InputDialog::getNumbers()
{
std::vector<QString> invalid_input;
QString input = activity_edit_->text().trimmed();
QList<QString> substrings = input.split(",");
numbers_.clear();
bool ok;
int num = 0;
for (int i = 0; i < substrings.size(); i++)
{
num = substrings[i].toInt(&ok);
if (ok && num >= 0 && num < property_names_->size())
{
numbers_.insert(num);
}
else
{
if (substrings[i] != "")
{
invalid_input.push_back(substrings[i]);
}
}
}
if (invalid_input.empty())
{
input_ok_ = true;
}
else
{
numbers_.clear();
input_ok_ = false;
throw BALL::QSAR::Exception::InvalidActivityID(__FILE__,__LINE__);
}
input_item_->setCenterDataFlag(center_descriptor_values_->isChecked());
input_item_->setCenterResponseFlag(center_response_values_->isChecked());
input_item_->setActivityValues(numbers_);
}
SortedList<int> InputDialog::numbers()
{
return numbers_;
}
bool InputDialog::centerDescriptorValues()
{
return center_descriptor_values_->isChecked();
}
bool InputDialog::centerResponseValues()
{
return center_response_values_->isChecked();
}
bool InputDialog::inputOk()
{
return input_ok_;
}
|
