BALL
1.5.0
include
BALL
VIEW
DIALOGS
charmmConfigurationDialog.h
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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_CHARMMCONFIGURATIONDIALOG_H
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#define BALL_VIEW_DIALOGS_CHARMMCONFIGURATIONDIALOG_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_charmmConfigurationDialog.h>
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namespace
BALL
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{
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class
CharmmFF;
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namespace
VIEW
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{
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class
MolecularStructure;
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class
BALL_VIEW_EXPORT
CharmmConfigurationDialog
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:
public
QDialog
,
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public
Ui_CharmmConfigurationDialogData,
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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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CharmmConfigurationDialog
(
QWidget
* parent = NULL,
const
char
* name =
"CharmmConfiguration"
);
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virtual
~
CharmmConfigurationDialog
();
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const
String
& getFilename()
const
;
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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(
CharmmFF
& charmm);
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void
chooseSolventFile();
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//_
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void
periodicBoundaryClicked();
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protected
Q_SLOTS:
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virtual
void
browseParameterFiles();
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protected
:
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void
setCharmmFF(
CharmmFF
& charmm);
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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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CharmmFF
* charmm_;
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};
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}
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}
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#endif
BALL::VIEW::CharmmConfigurationDialog
Definition:
charmmConfigurationDialog.h:29
BALL::String
Definition:
string.h:56
BALL::VIEW::PreferencesEntry
Definition:
preferencesEntry.h:68
BALL
Definition:
constants.h:12
QLineEdit
BALL::CharmmFF
Definition:
charmm.h:29
BALL::VIEW::MolecularStructure
Definition:
molecularStructure.h:90
global.h
QWidget
preferencesEntry.h
BALL_VIEW_EXPORT
#define BALL_VIEW_EXPORT
Definition:
COMMON/global.h:52
QDialog
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