/usr/include/BALL/VIEW/DIALOGS/dockDialog.h is in libballview1.4-dev 1.4.3~beta1-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#ifndef BALL_VIEW_DIALOGS_DOCKDIALOG_H
#define BALL_VIEW_DIALOGS_DOCKDIALOG_H
#ifndef BALL_COMMON_GLOBAL_H
# include <BALL/COMMON/global.h>
#endif
#ifndef BALL_VIEW_KERNEL_PREFERENCESENTRY_H
# include <BALL/VIEW/KERNEL/preferencesEntry.h>
#endif
#ifndef BALL_MOLMEC_COMMON_RADIUSRULEPROCESSOR_H
# include <BALL/MOLMEC/COMMON/radiusRuleProcessor.h>
#endif
#ifndef BALL_MOLMEC_COMMON_CHARGERULEPROCESSOR_H
# include <BALL/MOLMEC/COMMON/chargeRuleProcessor.h>
#endif
#ifndef BALL_STRUCTURE_DEFAULTPROCESSORS_H
# include <BALL/STRUCTURE/defaultProcessors.h>
#endif
#ifndef BALL_DATATYPE_OPTIONS_H
# include <BALL/DATATYPE/options.h>
#endif
#include <BALL/VIEW/UIC/ui_dockDialog.h>
namespace BALL
{
class INIFile;
class System;
class Options;
namespace VIEW
{
class DockingController;
/** 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.
\ingroup ViewDialogs
*/
class BALL_VIEW_EXPORT DockDialog :
public QDialog,
public Ui_DockDialogData,
public PreferencesEntry
{
Q_OBJECT
public:
/** @name Constructors and Destructors
*/
//@{
/** Default Constructor.
* Calls \link PreferencesEntry::registerObject_ PreferencesEntry::registerObject_ \endlink.
* Sets flag \link DockDialog::is_redock_ is_redock_ \endlink to false.
* @param parent the parent widget of the DockDialog
* @param name the name of the DockDialog
* @param modal the modal flag
* @param fl the widget flags
* @see QDialog
* @see PreferncesEntry
*/
DockDialog(QWidget* parent = 0, const char* name = "DockDialog");
/** Destructor.
*/
virtual ~DockDialog();
//@}
/** @name Assignment
*/
//@{
/** Assignment operator
*/
const DockDialog& operator =(const DockDialog& dock_dialog);
//@}
/** @name Accessors: inspectors and mutators
*/
//@{
/** Sets two systems as docking partners.
* @param system1 first docking partner
* @param system2 second docking partner
*/
void setSystems(System* system1, System* system2);
/** Get first docking partner.
*/
System* getSystem1();
/** Get second docking partner.
*/
System* getSystem2();
/** Get algorithm options.
*/
Options& getAlgorithmOptions();
/** Get scoring options.
*/
Options& getScoringOptions();
/** Sets the flags \link DockDialog::is_redock_ is_redock_ \endlink and \link DockDialog::has_changed_ has_changed_ \endlink.
*/
void isRedock(bool is_redock);
/** Adds docking algorithm to combobox and its advanced option dialog to hashmap.
* @param name the name of the algorithm
* @param algorithm the value of enum DockingController::Algorithm
* @param dialog pointer to an advanced option dialog
*/
// remark: score_func isn't enum type because we then have cyclic includes of DockDialog and DockingController
void addAlgorithm(const QString& name, const int algorithm, QDialog* dialog);
/** Adds scoring function to combobox and its advanced option dialog to hashmap, if it has such a dialog.
* @param name the name of the scoring function
* @param score_func the value of enum DockingController::ScoringFunction
* @param dialog pointer to an advanced option dialog
*/
// remark: score_func isn't enum type because we then have cyclic includes of DockDialog and DockingController
void addScoringFunction(const QString& name, const int score_func, QDialog* dialog=0);
/** 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 \link DockingController::initializeWidget DockingController::initializeWidget \endlink.
* @see addAlgorithm
* @see addScoringFunction
*/
virtual void initializeWidget();
/** Fetchs the preferences from the INIFile.
* Calls \link PreferencesEntry::readPreferenceEntries PreferencesEntry::readPreferenceEntries \endlink.
* Calls \link DockDialog::fetchPreferences_ fetchPreferences_ \endlink to read the redocking options.
* This method is called in \link DockingController::fetchPreferences DockingController::fetchPreferences \endlink.
* @see writePreferences
*/
virtual void fetchPreferences(INIFile& file);
/** Writes the preferences to the INIFile.
* Calls \link PreferencesEntry::writePreferenceEntries PreferencesEntry::writePreferenceEntries \endlink.
* This method is called in \link DockingController::writePreferences DockingController::writePreferences \endlink.
* @see fetchPreferences
*/
virtual void writePreferences(INIFile& file);
/** Resets the dialog to the standard values.
*/
void reset();
//@}
public slots:
/** Shows and raises the dialog.
* Dialog is adapted for docking / redocking.
* Calls \link fillSystemComboboxes_ fillSystemComboboxes_ \endlink in case of docking.
*/
bool exec();
/** Is called when reset button is pressed.
* Calls \link DockDialog::reset reset \endlink.
*/
void resetPressed();
/** Is called when OK button is pressed.
* For docking, it checks if two different systems are chosen.
* Hides the dialog and calls \link DockDialog::applyValues_ applyValues_ \endlink
* and \link DockDialog::applyProcessors_ applyProcessors_ \endlink.
*/
void okPressed();
/** Is called when cancel button is pressed.
* Hides the dialog.
*/
void cancelPressed();
/** Is called when advanced button for algorithm options is pressed.
* Shows corresponding options dialog.
*/
void algAdvancedPressed();
/** Is called when advanced button for scoring function options is pressed.
* Shows corresponding options dialog, if it exits.
*/
void scoringAdvancedPressed();
/** Is called when a system in the combobox is chosen as docking partner 1.
* Calls \link DockDialog::partnerChosen_ partnerChosen_ \endlink.
*/
void partner1Chosen();
/** Is called when a system in the combobox is chosen as docking partner 2.
* Calls \link DockDialog::partnerChosen_ partnerChosen_ \endlink.
*/
void partner2Chosen();
/** 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 scoringFuncChosen();
/** Is called when an algorithm in the combobox is chosen.
* If the chosen algorithm has advanced options, the advanced_button will be enabled.
*/
void algorithmChosen();
/** Is called when browse button to get a charges config file from table is pressed.
* Calls \link DockDialog::selectFile_ selectFile_ \endlink.
*/
void browseChargesData();
/** Is called when browse button to get a charges config file by rules is pressed.
* Calls \link DockDialog::selectFile_ selectFile_ \endlink.
*/
void browseChargesRules();
/** Is called when browse button to get a radii config file from table is pressed.
* Calls \link DockDialog::selectFile_ selectFile_ \endlink.
*/
void browseRadiiData();
/** Is called when browse button to get a radii config file by rules s pressed.
* Calls \link DockDialog::selectFile_ selectFile_ \endlink.
*/
void browseRadiiRules();
protected:
/** Sets options \link DockDialog::algorithm_opt_ algorithm_opt_ \endlink and
* \link DockDialog::scoring_opt_ scoring_opt_ \endlink with values the user has chosen.
*/
void applyValues_();
/** Applies processors to the systems.
*/
bool applyProcessors_();
/** Shows chosen file in the dialog.
*/
void selectFile_(QLineEdit& lineedit);
/** Fills the system comboboxes.
* If the user has already selected one or two systems, they are the current items in the comboboxes.
*/
void fillSystemComboboxes_();
/** Reads the redocking values from INIFile into vector backup_.
* If INIFile has not yet a section <b> REDOCKING </b>, fill vector \link DockDialog::backup_ backup_ \endlink with default values.
* @param file the INIFile that is read
* @param entry key of entry that is read
* @param default_value default value
* @see fetchPreferences
*/
void fetchPreferences_(INIFile& file, const String& entry, const QString& default_value);
/** Swaps the option values between vector backup_ and dialog.
* Is called in \link DockDialog::show show \endlink if \link DockDialog::has_changed_ has_changed_ \endlink is true
* and in \link DockDialog::writePreferences writePreferences \endlink if \link DockDialog::is_redock_ is_redock_ \endlink is true
*/
void swapValues_();
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.
*/
DockDialog(const DockDialog& dock_dialog);
/** Flag which indicates if we do docking or redocking.
*/
bool is_redock_;
/** Flag:
* True if we do docking and did redocking before or otherwise.
* False if we do (re)docking and also did (re)docking before.
*/
bool has_changed_;
/** key: DockingController::Algorithm
* value: advanced options dialog
*/
HashMap<int, QDialog*> algorithm_dialogs_;
/** key: DockingController::ScoringFunction
* value: advanced options dialog
*/
HashMap<int, QDialog*> scoring_dialogs_;
/** key: DockingController::Algorithm
* value: vector of scoring functions which can be used with this algorithm
*/
HashMap<int, vector<int> > allowed_sf_;
/** vector contains pointers to all systems that are loaded into BALLView
*/
vector<System*> loaded_systems_;
/** Pointer to docking partner 1
*/
System* docking_partner1_;
/** Pointer to docking partner 2
*/
System* docking_partner2_;
/** Options for the docking algorithm and scoring function
*/
Options algorithm_opt_, scoring_opt_;
/** 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 \link DockDialog::fetchPreferences fetchPreferences \endlink, we read the last redocking values from INIFile in this vector
* and in \link DockDialog::writePreferences writePreferences \endlink, we write the redocking values in INIFile from this vector
*/
vector<QString> backup_;
/** Processors
*/
RadiusRuleProcessor radius_rule_processor_;
ChargeRuleProcessor charge_rule_processor_;
AssignRadiusProcessor radius_processor_;
AssignChargeProcessor charge_processor_;
};
} // end of namespace View
} // end of namespace BALL
#endif
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