BALL
1.4.79
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#include <BALL/FORMAT/CIFFile.h>
Classes | |
class | Datablock |
class | Datacontent |
class | Item |
class | SaveFrame |
struct | State |
Public Member Functions | |
Constructors and Destructors | |
CIFFile () | |
CIFFile (const String &filename, File::OpenMode open_mode=std::ios::in) | |
virtual | ~CIFFile () |
Reading and Writing of Crytallographic Information | |
virtual bool | write () |
virtual bool | read () |
Accessors | |
void | inSafeframe (const char *name) |
void | inItem (const char *name) |
void | inDatablock (const char *name) |
void | insertDatablock (const Datablock &datablock) |
const Datablock & | getDatablock (const String &name) const |
Datablock & | getDatablock (const String &name) |
bool | hasDatablock (const String &name) const |
void | setMolecule (Molecule *molecule) |
void | clearParameters () |
Public Member Functions inherited from BALL::File | |
File () | |
File (const String &name, OpenMode open_mode=std::ios::in) | |
virtual | ~File () |
virtual void | clear () |
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 |
Static Public Attributes | |
static State | state |
Static Public Attributes inherited from BALL::File | |
static const OpenMode | MODE_IN |
Open for input (default) More... | |
static const OpenMode | MODE_OUT |
Open for output. More... | |
static const OpenMode | MODE_APP |
Append. Seek to end before each write operation. More... | |
static const OpenMode | MODE_BINARY |
Binary mode. More... | |
static const OpenMode | MODE_ATE |
Seek to end directly after opening. More... | |
static const OpenMode | MODE_TRUNC |
Truncate an existing file. More... | |
static const String | TRANSFORMATION_EXEC_PREFIX |
Prefix for filenames that are created through the execution of commands "exec:". More... | |
static const String | TRANSFORMATION_FILE_PREFIX |
Prefix for files (to mimick URL-like behavior) "file:". More... | |
static const String | TRANSFORMATION_FTP_PREFIX |
Prefix for FTP-transfers "ftp://". More... | |
static const String | TRANSFORMATION_HTTP_PREFIX |
Prefix for HTTP-transfer "http://". More... | |
Protected Member Functions | |
virtual void | initRead_ () |
Protected Attributes | |
Molecule * | molecule_ |
String | current_datablock_ |
String | current_saveframe_ |
String | current_item_ |
StringHashMap< Index > | datablocks_hash_ |
vector< Datablock > | datablocks_ |
Protected Attributes inherited from BALL::File | |
String | name_ |
String | original_name_ |
OpenMode | open_mode_ |
bool | is_open_ |
bool | is_temporary_ |
Additional Inherited Members | |
Public Types inherited from BALL::File | |
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 Public Member Functions inherited from BALL::File | |
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 Protected Attributes inherited from BALL::File | |
static HashSet< String > | created_temp_filenames_ |
static TransformationManager | transformation_manager_ |
static Size | transformation_methods_ |
CIF file class. This class enables BALL to read and write input and output CIF files for the NMR shift application.
BALL::CIFFile::CIFFile | ( | ) |
Default constructor
BALL::CIFFile::CIFFile | ( | const String & | filename, |
File::OpenMode | open_mode = std::ios::in |
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) |
Detailed constructor
Exception::FileNotFound | if the file could not be opened |
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virtual |
Destructor
void BALL::CIFFile::clearParameters | ( | ) |
void BALL::CIFFile::inDatablock | ( | const char * | name | ) |
void BALL::CIFFile::inItem | ( | const char * | name | ) |
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protectedvirtual |
void BALL::CIFFile::inSafeframe | ( | const char * | name | ) |
void BALL::CIFFile::insertDatablock | ( | const Datablock & | datablock | ) |
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virtual |
Read a CIFFile.
Exception::ParseError | if a syntax error was encountered |
Reimplemented in BALL::NMRStarFile.
void BALL::CIFFile::setMolecule | ( | Molecule * | molecule | ) |
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virtual |
Write a CIFFile.
File::CannotWrite | if writing to the file failed |
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protected |