Public Member Functions |
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| MOLFile () |
| MOLFile (const String &filename, File::OpenMode open_mode=std::ios::in) |
virtual | ~MOLFile () |
| Destructor.
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virtual bool | write (const Molecule &molecule) |
virtual bool | write (const System &system) |
virtual bool | read (System &system) |
virtual Molecule * | read () |
const MOLFile & | operator= (const MOLFile &file) |
| GenericMolFile () |
| GenericMolFile (const String &filename, File::OpenMode open_mode=std::ios::in) |
virtual | ~GenericMolFile () |
const GenericMolFile & | operator= (const GenericMolFile &rhs) |
virtual GenericMolFile & | operator>> (System &system) |
virtual GenericMolFile & | operator<< (const System &system) |
virtual GenericMolFile & | operator>> (Molecule &molecule) |
virtual GenericMolFile & | operator<< (const Molecule &molecule) |
| LineBasedFile () |
| Default constructor.
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| LineBasedFile (const String &filename, File::OpenMode open_mode=std::ios::in, bool trim_whitespaces=false) |
void | clear () |
bool | operator== (const LineBasedFile &f) |
bool | operator!= (const LineBasedFile &f) |
const LineBasedFile & | operator= (const LineBasedFile &file) |
Position | getLineNumber () const |
| Get the last line number in the file.
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const String & | getLine () const |
| Return the current line.
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String & | getLine () |
| Return the current line.
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bool | readLine () |
bool | skipLines (Size number=1) |
bool | search (const String &text, bool return_to_start=false) |
bool | search (const String &text, const String &stop, bool return_to_start=false) |
bool | gotoLine (Position line_number) |
void | rewind () |
void | test (const char *file, int line, bool condition, const String &msg) const |
String | getField (Index pos=0, const String "es="", const String &delimiters=String::CHARACTER_CLASS__WHITESPACE) const |
bool | startsWith (const String &text) const |
| Test if the current line starts with text.
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bool | has (const String &text) const |
| Return true if the current line contains text.
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Index | switchString (const std::vector< String > &data) const |
bool | parseColumnFormat (const char *format, Position index, Size length, void *arg) |
void | enableTrimWhitespaces (bool state) |
| Set wheter leading and trailing whitespaces in lines shall be removed.
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bool | trimWhiteSpacesEnabled () const |
| File () |
| File (const String &name, OpenMode open_mode=std::ios::in) |
virtual | ~File () |
bool | isValid () const |
bool | open (const String &name, File::OpenMode open_mode=std::ios::in) |
bool | reopen () |
bool | reopen (File::OpenMode open_mode) |
void | close () |
const String & | getName () const |
void | setName (const String &name) |
const String & | getOriginalName () const |
Size | getSize () |
File::OpenMode | getOpenMode () const |
Type | getType (bool trace_link) const |
bool | copyTo (const String &destination_name, Size buffer_size=4096) |
bool | moveTo (const String &destination_name) |
bool | remove () |
bool | renameTo (const String &new_path) |
bool | truncate (Size size=0) |
std::fstream & | getFileStream () |
TransformationManager & | getTransformationManager () |
const TransformationManager & | getTransformationManager () const |
bool | operator== (const File &file) const |
bool | operator!= (const File &file) const |
bool | isOpen () const |
bool | isClosed () const |
bool | isAccessible () const |
bool | isCanonized () const |
bool | isReadable () const |
bool | isWritable () const |
bool | isExecutable () const |
Additional Inherited Members |
typedef std::ios::openmode | OpenMode |
enum | Transformation { TRANSFORMATION__EXEC = 1,
TRANSFORMATION__FILTER = 2,
TRANSFORMATION__URL = 3
} |
enum | Type {
TYPE__UNKNOWN = 0,
TYPE__DIRECTORY = 1,
TYPE__CHAR_SPECIAL_FILE = 2,
TYPE__BLOCK_SPECIAL_FILE = 3,
TYPE__REGULAR_FILE = 4,
TYPE__SYMBOLIC_LINK = 5,
TYPE__SOCKET = 6,
TYPE__FIFO_SPECIAL_FILE = 7
} |
static Size | getSize (String name) |
static Type | getType (String name, bool trace_link) |
static bool | copy (String source_name, String destination_name, Size buffer_size=4096) |
static bool | move (const String &source_name, const String &destination_name) |
static bool | remove (String name) |
static bool | rename (String old_path, String new_path) |
static bool | truncate (String path, Size size=0) |
static bool | createTemporaryFilename (String &temporary, const String &suffix=".TMP") |
static void | enableTransformation (Transformation transformation) |
static void | disableTransformation (Transformation transformation) |
static bool | isTransformationEnabled (Transformation transformation) |
static void | registerTransformation (const String &pattern, const String &exec) |
static void | unregisterTransformation (const String &pattern) |
static bool | isAccessible (String name) |
static bool | isReadable (String name) |
static bool | isWritable (String name) |
static bool | isExecutable (String name) |
static const OpenMode | MODE_IN |
| Open for input (default)
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static const OpenMode | MODE_OUT |
| Open for output.
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static const OpenMode | MODE_APP |
| Append. Seek to end before each write operation.
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static const OpenMode | MODE_BINARY |
| Binary mode.
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static const OpenMode | MODE_ATE |
| Seek to end directly after opening.
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static const OpenMode | MODE_TRUNC |
| Truncate an existing file.
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static const String | TRANSFORMATION_EXEC_PREFIX |
| Prefix for filenames that are created through the execution of commands "exec:".
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static const String | TRANSFORMATION_FILE_PREFIX |
| Prefix for files (to mimick URL-like behavior) "file:".
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static const String | TRANSFORMATION_FTP_PREFIX |
| Prefix for FTP-transfers "ftp://".
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static const String | TRANSFORMATION_HTTP_PREFIX |
| Prefix for HTTP-transfer "http://".
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String | line_ |
| buffer for the line in use
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Position | line_number_ |
| line number in the file
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bool | trim_whitespaces_ |
MDL MOL file class. This class enables BALL to read and write MDL MOL files.
Definition at line 27 of file MOLFile.h.