VIEW::MolecularFileDialog Class Reference
[QT Dialogs]

Dialog for opening molecular data files. More...

#include <molecularFileDialog.h>

Inheritance diagram for VIEW::MolecularFileDialog:

List of all members.

Public Slots
virtual void	readFiles ()
	Open a molecular file.
virtual bool	writeFile ()
	Write a molecular file.
Public Member Functions
	MolecularFileDialog (QWidget *parent=0, const char *name="MolecularFileDialog") throw ()
	Default Constructor.
virtual	~MolecularFileDialog () throw ()
	Destructor.
virtual void	initializeWidget (MainControl &main_control) throw ()
	Initializes the menu entries in File.
virtual bool	canHandle (const String &fileformat) const
	Test if this ModularWidget can handle a given file format.
virtual bool	openFile (const String &filename)
	Tell this ModularWidget to open a given file.
virtual System *	openMolecularFile (const String &file) throw ()
	Open a given molecular file.
virtual System *	openMolecularFile (const String &filename, const String &filetype, const String &system_name) throw ()
	Wrapper for the read methods.
System *	openPDBFile ()
System *	openHINFile ()
System *	openMOLFile ()
System *	openMOL2File ()
System *	openSDFile ()
System *	openXYZFile ()
System *	readPDBFile (String filename, String system_name) throw ()
	Read a PDB file.
System *	readHINFile (String filename, String system_name) throw ()
	Read a HIN file.
System *	readMOLFile (String filename, String system_name) throw ()
	Read a MOL file.
System *	readMOL2File (String filename, String system_name) throw ()
	Read a MOL2 file.
System *	readSDFile (String filename, String system_name) throw ()
	Read a SD file.
System *	readXYZFile (String filename, String system_name) throw ()
	Read a XYZ file.
bool	writePDBFile (String filename, const System &system) throw ()
	Write a PDB file.
bool	writeHINFile (String filename, const System &system) throw ()
	Write a HIN file.
bool	writeMOLFile (String filename, const System &system) throw ()
	Write a MOL file.
bool	writeMOL2File (String filename, const System &system) throw ()
	Write a MOL2 file.
bool	writeSDFile (String filename, const System &system) throw ()
	Write a SD file.
bool	writeXYZFile (String filename, const System &system) throw ()
	Write a XYZ file.
virtual void	checkMenu (MainControl &main_control) throw ()
	Overloaded from ModularWidget.
virtual String	getSupportedFileFormats () const
virtual String	getSupportedFileFormatsList () const
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) throw ()
	Message handling method.
	MolecularFileDialog (const MolecularFileDialog &mfd) throw ()
virtual bool	finish_ (const String &filename, const String &system_name, System *system) throw ()
System *	openFile_ (String type)
Protected Attributes
QAction *	save_id_
QAction *	open_id_
String	file_format_

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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

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Constructor & Destructor Documentation

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

Default Constructor. Calls ModularWidget::registerWidget()

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Member Function Documentation

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

Test if this ModularWidget can handle a given file format. (Overloaded from ModularWidget) Parameters: fileform  short string with the file extension (e.g. PDB) See also: openFile Reimplemented from VIEW::ModularWidget.

virtual void VIEW::MolecularFileDialog::initializeWidget (  MainControl &  main_control  )  throw () [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_control  the MainControl object to be initialized See also: finalizeWidget Reimplemented from VIEW::ModularWidget.

virtual void VIEW::MolecularFileDialog::onNotify (  Message *  message  )  throw () [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: message  a pointer to a message. Do not delete the message in this method. Reimplemented from VIEW::ConnectionObject.

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

Tell this ModularWidget to open a given file. (Overloaded from ModularWidget) See also: canHandle Reimplemented from VIEW::ModularWidget.

virtual System* VIEW::MolecularFileDialog::openMolecularFile (  const String &  filename, const String &  filetype, const String &  system_name )  throw () [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.

virtual System* VIEW::MolecularFileDialog::openMolecularFile (  const String &  file  )  throw () [virtual]

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 void 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

virtual bool 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.