BALL  1.4.1
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BALL::VIEW::MolecularFileDialog Class Reference

#include <BALL/VIEW/DIALOGS/molecularFileDialog.h>

Inheritance diagram for BALL::VIEW::MolecularFileDialog:
QWidget BALL::VIEW::ModularWidget BALL::Embeddable BALL::VIEW::ConnectionObject

List of all members.

Public Slots

virtual void readFiles ()
virtual bool writeFile ()

Public Member Functions

 MolecularFileDialog (QWidget *parent=0, const char *name="MolecularFileDialog")
virtual ~MolecularFileDialog ()
 Destructor.
virtual void initializeWidget (MainControl &main_control)
virtual bool canHandle (const String &fileformat) const
virtual bool openFile (const String &filename)
virtual SystemopenMolecularFile (const String &file)
virtual SystemopenMolecularFile (const String &filename, const String &filetype, const String &system_name)
SystemopenPDBFile ()
SystemopenHINFile ()
SystemopenMOLFile ()
SystemopenMOL2File ()
SystemopenSDFile ()
SystemopenACFile ()
SystemopenXYZFile ()
SystemreadPDBFile (String filename, String system_name)
SystemreadHINFile (String filename, String system_name)
SystemreadMOLFile (String filename, String system_name)
SystemreadMOL2File (String filename, String system_name)
SystemreadSDFile (String filename, String system_name)
SystemreadACFile (String filename, String system_name)
SystemreadXYZFile (String filename, String system_name)
bool writePDBFile (String filename, const System &system)
bool writeHINFile (String filename, const System &system)
bool writeMOLFile (String filename, const System &system)
bool writeMOL2File (String filename, const System &system)
bool writeSDFile (String filename, const System &system)
bool writeACFile (String filename, const System &system)
bool writeXYZFile (String filename, const System &system)
virtual void checkMenu (MainControl &main_control)
 Overloaded from ModularWidget.
virtual String getSupportedFileFormats () const
virtual String getSupportedFileFormatsList () const
void setReadPDBModels (bool read)

Protected Types

enum  FileFormats {
  PDB_FILE = 0, HIN_FILE, MOL_FILE, MOL2_FILE,
  SD_FILE, XYZ_FILE
}

Protected Member Functions

virtual void onNotify (Message *message)
 MolecularFileDialog (const MolecularFileDialog &mfd)
virtual bool finish_ (const String &filename, const String &system_name, System *system)
SystemopenFile_ (String type)

Protected Attributes

QAction * save_id_
QAction * open_id_
String file_format_
bool read_all_pdb_models_

Detailed Description

Dialog for opening molecular data files. This class is used to read or write Molecular files in one of several file formats. Currently supported file formats are:

HIN, MOL, MOL2, PDB, SD, XYZ
Upon reading a file, the information will be stored in a System. This class can also take a System and write it in one of the supported file formats. This class is derived from ModularWidget.
See also:
HINFile
MOLFile
MOL2File
PDBFile
SDFile
XYZFile

Definition at line 45 of file molecularFileDialog.h.


Member Enumeration Documentation

Enumerator:
PDB_FILE 
HIN_FILE 
MOL_FILE 
MOL2_FILE 
SD_FILE 
XYZ_FILE 

Definition at line 215 of file molecularFileDialog.h.


Constructor & Destructor Documentation

BALL::VIEW::MolecularFileDialog::MolecularFileDialog ( QWidget parent = 0,
const char *  name = "MolecularFileDialog" 
)

Default Constructor. Calls ModularWidget::registerWidget()

Destructor.


Member Function Documentation

virtual bool BALL::VIEW::MolecularFileDialog::canHandle ( const String fileformat) const [virtual]

Test if this ModularWidget can handle a given file format. (Overloaded from ModularWidget)

Parameters:
fileformshort string with the file extension (e.g. PDB)
See also:
openFile

Reimplemented from BALL::VIEW::ModularWidget.

virtual void BALL::VIEW::MolecularFileDialog::checkMenu ( MainControl main_control) [virtual]

Overloaded from ModularWidget.

Reimplemented from BALL::VIEW::ModularWidget.

virtual bool BALL::VIEW::MolecularFileDialog::finish_ ( const String filename,
const String system_name,
System system 
) [protected, virtual]
virtual void BALL::VIEW::MolecularFileDialog::initializeWidget ( MainControl main_control) [virtual]

Initializes the menu entries in File. This method is called automatically immediately before the main application is started. This method will be called MainControl::show().

Parameters:
main_controlthe MainControl object to be initialized
See also:
finalizeWidget

Reimplemented from BALL::VIEW::ModularWidget.

virtual void BALL::VIEW::MolecularFileDialog::onNotify ( Message message) [protected, virtual]

Message handling method. This method handles messages sent to this connectionObject. If a certain message should be processed for this connectionObject this method must be overridden. With the help of the RTTI methods one can easily determine if an incoming message is relevant for this connectionObject. See Message for further information concerning messages.

Parameters:
messagea pointer to a message. Do not delete the message in this method.

Reimplemented from BALL::VIEW::ConnectionObject.

virtual bool BALL::VIEW::MolecularFileDialog::openFile ( const String filename) [virtual]

Tell this ModularWidget to open a given file. (Overloaded from ModularWidget)

See also:
canHandle

Reimplemented from BALL::VIEW::ModularWidget.

Open a given molecular file. The file type is identified by the filename extension. This method can be used to load molecular files, which were given as command line arguments.

virtual System* BALL::VIEW::MolecularFileDialog::openMolecularFile ( const String filename,
const String filetype,
const String system_name 
) [virtual]

Wrapper for the read methods. The filetype String is used to indentify the file type (HIN, PDP, MOL, MOL2). It is possible to give the system a designated name, otherwise it is named by the file.

Read an AC file

virtual void BALL::VIEW::MolecularFileDialog::readFiles ( ) [virtual, slot]

Open a molecular file. This method tries to open and read a molecular file, selected from a QFileDialog, and, if susccesfull, converts is into a System. Then it sends a CompositeMessage containing the System to the other ConnectionObject instances.

See also:
CompositeMessage
ConnectionObject

Read a HIN file

Read a MOL2 file

Read a MOL file

Read a PDB file

Read a SD file

Read a XYZ file

Definition at line 184 of file molecularFileDialog.h.

bool BALL::VIEW::MolecularFileDialog::writeACFile ( String  filename,
const System system 
)

Write an AC file

virtual bool BALL::VIEW::MolecularFileDialog::writeFile ( ) [virtual, slot]

Write a molecular file. This method takes a System and saves it into a molecular file, selected from a QFileDialog.

Write a HIN file

Write a MOL2 file

Write a MOL file

Write a PDB file

bool BALL::VIEW::MolecularFileDialog::writeSDFile ( String  filename,
const System system 
)

Write a SD file

Write a XYZ file


Member Data Documentation

Definition at line 226 of file molecularFileDialog.h.

Definition at line 225 of file molecularFileDialog.h.

Definition at line 227 of file molecularFileDialog.h.

Definition at line 225 of file molecularFileDialog.h.

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