BALL  1.4.1
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Public Slots | Protected Member Functions | Private Member Functions | Private Attributes
BALL::VIEW::DockDialog Class Reference

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

Inheritance diagram for BALL::VIEW::DockDialog:
QDialog BALL::VIEW::PreferencesEntry

List of all members.

Public Slots

bool exec ()
void resetPressed ()
void okPressed ()
void cancelPressed ()
void algAdvancedPressed ()
void scoringAdvancedPressed ()
void partner1Chosen ()
void partner2Chosen ()
void scoringFuncChosen ()
void algorithmChosen ()
void browseChargesData ()
void browseChargesRules ()
void browseRadiiData ()
void browseRadiiRules ()

Public Member Functions

Constructors and Destructors
 DockDialog (QWidget *parent=0, const char *name="DockDialog")
virtual ~DockDialog ()
Assignment
const DockDialogoperator= (const DockDialog &dock_dialog)
Accessors: inspectors and mutators
void setSystems (System *system1, System *system2)
SystemgetSystem1 ()
SystemgetSystem2 ()
OptionsgetAlgorithmOptions ()
OptionsgetScoringOptions ()
void isRedock (bool is_redock)
void addAlgorithm (const QString &name, const int algorithm, QDialog *dialog)
void addScoringFunction (const QString &name, const int score_func, QDialog *dialog=0)
virtual void initializeWidget ()
virtual void fetchPreferences (INIFile &file)
virtual void writePreferences (INIFile &file)
void reset ()

Protected Member Functions

void applyValues_ ()
bool applyProcessors_ ()
void selectFile_ (QLineEdit &lineedit)
void fillSystemComboboxes_ ()
void fetchPreferences_ (INIFile &file, const String &entry, const QString &default_value)
void swapValues_ ()

Private Member Functions

 DockDialog (const DockDialog &dock_dialog)

Private Attributes

bool is_redock_
bool has_changed_
HashMap< int, QDialog * > algorithm_dialogs_
HashMap< int, QDialog * > scoring_dialogs_
HashMap< int, vector< int > > allowed_sf_
vector< System * > loaded_systems_
Systemdocking_partner1_
Systemdocking_partner2_
Options algorithm_opt_
Options scoring_opt_
vector< QString > backup_
RadiusRuleProcessor radius_rule_processor_
ChargeRuleProcessor charge_rule_processor_
AssignRadiusProcessor radius_processor_
AssignChargeProcessor charge_processor_

Detailed Description

Dialog for docking / redocking two systems. In this dialog the user choose the two docking partners, the docking algorithm and the scoring function. Furthermore he can set the options for the algorithm and scroing function and can apply processors to the docking parnters. For redocking he can specify the euler angles.

Definition at line 52 of file dockDialog.h.


Constructor & Destructor Documentation

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

Default Constructor. Calls PreferencesEntry::registerObject_ . Sets flag is_redock_ to false.

Parameters:
parentthe parent widget of the DockDialog
namethe name of the DockDialog
modalthe modal flag
flthe widget flags
See also:
QDialog
PreferncesEntry
virtual BALL::VIEW::DockDialog::~DockDialog ( ) [virtual]

Destructor.

BALL::VIEW::DockDialog::DockDialog ( const DockDialog dock_dialog) [private]

Copy constructor. Remark: Copy contructor is private because it is not completed. The copy constuctor of the QT widgets is private and cannot be called.


Member Function Documentation

void BALL::VIEW::DockDialog::addAlgorithm ( const QString &  name,
const int  algorithm,
QDialog dialog 
)

Adds docking algorithm to combobox and its advanced option dialog to hashmap.

Parameters:
namethe name of the algorithm
algorithmthe value of enum DockingController::Algorithm
dialogpointer to an advanced option dialog
void BALL::VIEW::DockDialog::addScoringFunction ( const QString &  name,
const int  score_func,
QDialog dialog = 0 
)

Adds scoring function to combobox and its advanced option dialog to hashmap, if it has such a dialog.

Parameters:
namethe name of the scoring function
score_functhe value of enum DockingController::ScoringFunction
dialogpointer to an advanced option dialog

Is called when advanced button for algorithm options is pressed. Shows corresponding options dialog.

Is called when an algorithm in the combobox is chosen. If the chosen algorithm has advanced options, the advanced_button will be enabled.

Applies processors to the systems.

Sets options algorithm_opt_ and scoring_opt_ with values the user has chosen.

Is called when browse button to get a charges config file from table is pressed. Calls selectFile_ .

Is called when browse button to get a charges config file by rules is pressed. Calls selectFile_ .

Is called when browse button to get a radii config file from table is pressed. Calls selectFile_ .

Is called when browse button to get a radii config file by rules s pressed. Calls selectFile_ .

Is called when cancel button is pressed. Hides the dialog.

Shows and raises the dialog. Dialog is adapted for docking / redocking. Calls fillSystemComboboxes_ in case of docking.

virtual void BALL::VIEW::DockDialog::fetchPreferences ( INIFile file) [virtual]

Fetchs the preferences from the INIFile. Calls PreferencesEntry::readPreferenceEntries . Calls fetchPreferences_ to read the redocking options. This method is called in DockingController::fetchPreferences .

See also:
writePreferences
void BALL::VIEW::DockDialog::fetchPreferences_ ( INIFile file,
const String entry,
const QString &  default_value 
) [protected]

Reads the redocking values from INIFile into vector backup_. If INIFile has not yet a section REDOCKING , fill vector backup_ with default values.

Parameters:
filethe INIFile that is read
entrykey of entry that is read
default_valuedefault value
See also:
fetchPreferences

Fills the system comboboxes. If the user has already selected one or two systems, they are the current items in the comboboxes.

Get algorithm options.

Get scoring options.

Get first docking partner.

Get second docking partner.

virtual void BALL::VIEW::DockDialog::initializeWidget ( ) [virtual]

Builds hashmaps for algorithm advanced option dialogs and for scoring function advanced option dialogs. Also builds hashmap with the allowed scoring functions for the different algorithms. Is called by DockingController::initializeWidget .

See also:
addAlgorithm
addScoringFunction

Sets the flags is_redock_ and has_changed_ .

Is called when OK button is pressed. For docking, it checks if two different systems are chosen. Hides the dialog and calls applyValues_ and applyProcessors_ .

const DockDialog& BALL::VIEW::DockDialog::operator= ( const DockDialog dock_dialog)

Assignment operator

Is called when a system in the combobox is chosen as docking partner 1. Calls partnerChosen_ .

Is called when a system in the combobox is chosen as docking partner 2. Calls partnerChosen_ .

Resets the dialog to the standard values.

Is called when reset button is pressed. Calls reset .

Is called when advanced button for scoring function options is pressed. Shows corresponding options dialog, if it exits.

Is called when a scoring function in the combobox is chosen. If the chosen scoring function has advanced options, the advanced_button will be enabled.

void BALL::VIEW::DockDialog::selectFile_ ( QLineEdit lineedit) [protected]

Shows chosen file in the dialog.

void BALL::VIEW::DockDialog::setSystems ( System system1,
System system2 
)

Sets two systems as docking partners.

Parameters:
system1first docking partner
system2second docking partner

Swaps the option values between vector backup_ and dialog. Is called in show if has_changed_ is true and in writePreferences if is_redock_ is true

virtual void BALL::VIEW::DockDialog::writePreferences ( INIFile file) [virtual]

Writes the preferences to the INIFile. Calls PreferencesEntry::writePreferenceEntries . This method is called in DockingController::writePreferences .

See also:
fetchPreferences

Member Data Documentation

key: DockingController::Algorithm value: advanced options dialog

Definition at line 299 of file dockDialog.h.

Options for the docking algorithm and scoring function

Definition at line 325 of file dockDialog.h.

HashMap<int, vector<int> > BALL::VIEW::DockDialog::allowed_sf_ [private]

key: DockingController::Algorithm value: vector of scoring functions which can be used with this algorithm

Definition at line 309 of file dockDialog.h.

vector<QString> BALL::VIEW::DockDialog::backup_ [private]

Needed to guarantee that both, docking and redocking preferences can be written to INIFile When we do docking, redocking values are in the vector and when we do redocking, the docking values are in there. In fetchPreferences , we read the last redocking values from INIFile in this vector and in writePreferences , we write the redocking values in INIFile from this vector

Definition at line 332 of file dockDialog.h.

Definition at line 339 of file dockDialog.h.

Definition at line 337 of file dockDialog.h.

Pointer to docking partner 1

Definition at line 317 of file dockDialog.h.

Pointer to docking partner 2

Definition at line 321 of file dockDialog.h.

Flag: True if we do docking and did redocking before or otherwise. False if we do (re)docking and also did (re)docking before.

Definition at line 294 of file dockDialog.h.

Flag which indicates if we do docking or redocking.

Definition at line 288 of file dockDialog.h.

vector contains pointers to all systems that are loaded into BALLView

Definition at line 313 of file dockDialog.h.

Definition at line 338 of file dockDialog.h.

Processors

Definition at line 336 of file dockDialog.h.

key: DockingController::ScoringFunction value: advanced options dialog

Definition at line 304 of file dockDialog.h.

Definition at line 325 of file dockDialog.h.

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