/usr/include/BALL/FORMAT/PDBFile.iC is in libball1.4-dev 1.4.3~beta1-4.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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// vi: set ts=2:
//
BALL_INLINE
PDBFile& PDBFile::operator >> (Protein& protein)
{
read(protein);
return *this;
}
BALL_INLINE
PDBFile& PDBFile::operator >> (Molecule& molecule)
{
read(molecule);
return *this;
}
BALL_INLINE
PDBFile& PDBFile::operator >> (System& system)
{
read(system);
return *this;
}
BALL_INLINE
bool PDBFile::write(const Molecule& molecule)
{
if (!isOpen() || getOpenMode() != std::ios::out)
{
throw (File::CannotWrite(__FILE__, __LINE__, name_));
}
write_(molecule);
return true;
}
BALL_INLINE
bool PDBFile::write(const Protein& protein)
{
if (!isOpen() || getOpenMode() != std::ios::out)
{
throw (File::CannotWrite(__FILE__, __LINE__, name_));
}
write_(protein);
return true;
}
BALL_INLINE
PDBFile& PDBFile::operator << (const Molecule& molecule)
{
write(molecule);
return *this;
}
BALL_INLINE
PDBFile& PDBFile::operator << (const Protein& protein)
{
write(protein);
return *this;
}
BALL_INLINE
PDBFile& PDBFile::operator << (const System& system)
{
write(system);
return *this;
}
BALL_INLINE
void PDBFile::clear(int state)
{
std::fstream::clear((std::ios::iostate)state);
}
BALL_INLINE
float PDBFile::getVersion() const
{
return (float)2.1;
}
BALL_INLINE
void PDBFile::selectModel(Index index)
{
options.setInteger(Option::CHOOSE_MODEL, index);
selected_model_ = index;
}
BALL_INLINE
void PDBFile::selectAltLocationIndicator(char c)
{
if (!isalpha(c)) {
throw Exception::InvalidArgument(__FILE__, __LINE__,
String("The specified alternate location indicator '") + c + "' is invalid.");
}
alternate_location_indicator_ = c;
}
BALL_INLINE
void PDBFile::selectAllModels()
{
options.setInteger(Option::CHOOSE_MODEL, -1);
selected_model_ = -1;
}
BALL_INLINE
Index PDBFile::getSelectedModel() const
{
return selected_model_;
}
BALL_INLINE
Index PDBFile::getCurrentModel() const
{
return current_model_;
}
BALL_INLINE
char* PDBFile::getRecordString()
{
return line_buffer_;
}
BALL_INLINE
const char* PDBFile::getRecordString() const
{
return line_buffer_;
}
BALL_INLINE
Index PDBFile::getRecordNumber() const
{
return current_record_;
}
BALL_INLINE
PDB::RecordType PDBFile::getRecordType() const
{
return current_record_type_;
}
BALL_INLINE
const char* PDBFile::getAtomName(const PDB::Atom atom_name)
{
static String s;
s.set(atom_name);
s.trim();
return s.c_str();
}
BALL_INLINE
char PDBFile::getAtomRemotenessIndicator(const PDB::Atom atom_name)
{
return atom_name[2];
}
BALL_INLINE
short PDBFile::getAtomBranchDesignator(const PDB::Atom atom_name)
{
return (short)atom_name[3];
}
BALL_INLINE
Size PDBFile::countRecordFields() const
{
return record_fields_;
}
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