int DynOptionswx::SetOptions(OpenBabel::OBConversion& Conv, OpenBabel::OBConversion::Option_type opttyp)
{
//Now sets options directly in OBConversion
int count=0;
OMapType::iterator itr;
for (itr = OptionMap.begin(); itr != OptionMap.end(); ++itr)
{
if(itr->first.empty()) continue; //just a caption or a line
wxString oname = itr->first;
wxString txt;
wxCheckBox* pChk = dynamic_cast<wxCheckBox*> (itr->second);
if(pChk)
{
if(!pChk->IsChecked())
{
// if a checkbox is not checked, ignore the subsidiary editboxes also
while(!(++itr)->first.empty()&& itr->first[0]==_T(' '));
--itr;
continue;
}
}
else
{
wxRadioButton* pRadio = dynamic_cast<wxRadioButton*> (itr->second);
if(pRadio)
{
if(pRadio->GetValue())
continue;
}
else
{
wxTextCtrl* pText = dynamic_cast<wxTextCtrl*> (itr->second);
if(pText)
{
txt = pText->GetValue();
if(txt.IsEmpty()) continue;
oname = itr->first;
}
}
}
//Get the contents of subsequent editboxes
OMapType::iterator itr2 = itr;
while(++itr2!= OptionMap.end())
{
if((itr2->first).empty() || itr2->first[0]!=_T(' ')) //subsequent editboxes have the name preceded by a space
break;
txt = txt + _T(' ') + static_cast<wxTextCtrl*>(itr2->second)->GetValue();
++itr;
}
txt.Trim(true); txt.Trim(false);
Conv.AddOption(oname.mb_str(), opttyp, txt.mb_str());
++count;
}
return count;
}
void ReadFileThread::run()
{
// Check that the file can be read from disk
if (!MoleculeFile::canOpen(m_moleculeFile->m_fileName, QFile::ReadOnly | QFile::Text)) {
// Cannot read the file
m_moleculeFile->m_error.append(QObject::tr("File %1 cannot be opened for reading.")
.arg(m_moleculeFile->m_fileName));
return;
}
// Construct the OpenBabel objects, set the file type
OpenBabel::OBConversion conv;
OpenBabel::OBFormat *inFormat;
if (!m_moleculeFile->m_fileType.isEmpty() &&
!conv.SetInFormat(m_moleculeFile->m_fileType.toAscii().data())) {
// Input format not supported
m_moleculeFile->m_error.append(
QObject::tr("File type '%1' is not supported for reading.")
.arg(m_moleculeFile->m_fileType));
return;
}
else {
inFormat = conv.FormatFromExt(m_moleculeFile->m_fileName.toAscii().data());
if (!inFormat || !conv.SetInFormat(inFormat)) {
// Input format not supported
m_moleculeFile->m_error
.append(QObject::tr("File type for file '%1' is not supported for reading.")
.arg(m_moleculeFile->m_fileName));
return;
}
}
// set any options
if (!m_moleculeFile->m_fileOptions.isEmpty()) {
foreach(const QString &option, m_moleculeFile
->m_fileOptions.split('\n', QString::SkipEmptyParts)) {
conv.AddOption(option.toAscii().data(), OBConversion::INOPTIONS);
}
}
