BALL
1.5.0
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include
BALL
VIEW
DIALOGS
MMFF94ConfigurationDialog.h
Go to the documentation of this file.
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// -*- Mode: C++; tab-width: 2; -*-
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// vi: set ts=2:
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//
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#ifndef BALL_VIEW_DIALOGS_MMFF94CONFIGURATIONDIALOG_H
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#define BALL_VIEW_DIALOGS_MMFF94CONFIGURATIONDIALOG_H
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#ifndef BALL_COMMON_GLOBAL_H
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# include <
BALL/COMMON/global.h
>
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#endif
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#ifndef BALL_VIEW_KERNEL_PREFERENCESENTRY
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# include <
BALL/VIEW/KERNEL/preferencesEntry.h
>
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#endif
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#include <BALL/VIEW/UIC/ui_MMFF94ConfigurationDialog.h>
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namespace
BALL
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{
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class
MMFF94;
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namespace
VIEW
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{
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class
MolecularStructure;
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class
BALL_VIEW_EXPORT
MMFF94ConfigurationDialog
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:
public
QDialog
,
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public
Ui_MMFF94ConfigurationDialogData,
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public
PreferencesEntry
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{
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friend
class
MolecularStructure
;
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Q_OBJECT
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public
:
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MMFF94ConfigurationDialog
(
QWidget
* parent = NULL,
const
char
* name =
"MMFF94ConfigurationDialog"
);
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virtual
~MMFF94ConfigurationDialog
();
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public
Q_SLOTS:
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virtual
void
resetOptions
();
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void
accept
();
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void
reject
();
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void
applyTo
(
MMFF94
& mmff);
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protected
Q_SLOTS:
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virtual
void
browseParameterFiles
();
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protected
:
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void
setMMFF94
(
MMFF94
& mmff);
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void
chooseSolventFile
();
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private
:
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String
getValue_(
const
QCheckBox* box)
const
;
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float
getValue_(
const
QLineEdit
* edit)
const
;
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MMFF94
* mmff_;
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};
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}
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}
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#endif
preferencesEntry.h
BALL
Definition
constants.h:13
BALL::String
Definition
string.h:57
BALL::MMFF94
Definition
MMFF94.h:51
BALL::VIEW::MMFF94ConfigurationDialog
Definition
MMFF94ConfigurationDialog.h:33
BALL::VIEW::MMFF94ConfigurationDialog::reject
void reject()
BALL::VIEW::MMFF94ConfigurationDialog::applyTo
void applyTo(MMFF94 &mmff)
apply the settings to a given MMFF94 force field
BALL::VIEW::MMFF94ConfigurationDialog::resetOptions
virtual void resetOptions()
BALL::VIEW::MMFF94ConfigurationDialog::setMMFF94
void setMMFF94(MMFF94 &mmff)
BALL::VIEW::MMFF94ConfigurationDialog::~MMFF94ConfigurationDialog
virtual ~MMFF94ConfigurationDialog()
Destructor.
BALL::VIEW::MMFF94ConfigurationDialog::MMFF94ConfigurationDialog
MMFF94ConfigurationDialog(QWidget *parent=NULL, const char *name="MMFF94ConfigurationDialog")
Constructor.
BALL::VIEW::MMFF94ConfigurationDialog::browseParameterFiles
virtual void browseParameterFiles()
BALL::VIEW::MMFF94ConfigurationDialog::accept
void accept()
BALL::VIEW::MMFF94ConfigurationDialog::chooseSolventFile
void chooseSolventFile()
BALL::VIEW::PreferencesEntry
Definition
preferencesEntry.h:69
BALL::VIEW::MolecularStructure
Definition
molecularStructure.h:93
QDialog
QWidget
QLineEdit
global.h
BALL_VIEW_EXPORT
#define BALL_VIEW_EXPORT
Definition
COMMON/global.h:52
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