void readCoorFile( const char *file,
std::list<AtomRecord> *records)
{
static char error[1024];
if(strstr(file,".pdb") || strstr(file,".PDB"))
{
readPDBFile(file,records);
}
else if(strstr(file,".xyz") || strstr(file,".XYZ") )
{
readXYZFile(file,records);
}
else
{ sprintf(error,"readCoorFile: unknown file format of %s\n"
" Only *.pdb and *.xyz files are supported",file);
throw error;
}
}
System* MolecularFileDialog::openMolecularFile(const String& filename,
const String& filetype,
const String& system_name)
{
bool ok = false;
try
{
if (File::isReadable(filename)) ok = true;
}
catch(...)
{}
if (!ok || filename == "/" || filename == "\\")
{
setStatusbarText((String)tr("Could not open file") + " " + filename, true);
return 0;
}
// TODO substitue by GenericMolFile* file = MolFileFactory::open(filename);
if (filetype.hasSubstring("pdb") || filetype.hasSubstring("PDB") ||
filetype.hasSubstring("brk") || filetype.hasSubstring("BRK") ||
filetype.hasSubstring("ent") || filetype.hasSubstring("ENT"))
{
return readPDBFile(filename, system_name);
}
else if (filetype.hasSubstring("HIN") ||
filetype.hasSubstring("hin"))
{
return readHINFile(filename, system_name);
}
else if (filetype.hasSubstring("MOL2") ||
filetype.hasSubstring("mol2"))
{
return readMOL2File(filename, system_name);
}
else if (filetype.hasSubstring("MOL") ||
filetype.hasSubstring("mol"))
{
return readMOLFile(filename, system_name);
}
else if (filetype.hasSubstring("SDF") ||
filetype.hasSubstring("sdf"))
{
return readSDFile(filename, system_name);
}
else if (filetype.hasSubstring("AC") ||
filetype.hasSubstring("ac"))
{
return readACFile(filename, system_name);
}
else if (filetype.hasSubstring("XYZ") ||
filetype.hasSubstring("xyz"))
{
return readXYZFile(filename, system_name);
}
else
{
setStatusbarText(String(tr("Unknown filetype")) + ": " + filetype, true);
}
return 0;
}