org.openscience.jmol.app.nbo

Class NBODialogSearch

java.lang.Object

java.awt.Component

java.awt.Container

java.awt.Window

java.awt.Dialog

javax.swing.JDialog

org.openscience.jmol.app.nbo.NBODialogConfig

org.openscience.jmol.app.nbo.NBODialogModel

org.openscience.jmol.app.nbo.NBODialogRun

org.openscience.jmol.app.nbo.NBODialogView

org.openscience.jmol.app.nbo.NBODialogSearch

All Implemented Interfaces:

java.awt.image.ImageObserver, java.awt.MenuContainer, java.io.Serializable, javax.accessibility.Accessible, javax.swing.RootPaneContainer, javax.swing.WindowConstants

Direct Known Subclasses:

NBODialog

abstract class NBODialogSearch
extends NBODialogView

Nested Class Summary

Nested classes/interfaces inherited from class javax.swing.JDialog

javax.swing.JDialog.AccessibleJDialog

Nested classes/interfaces inherited from class java.awt.Dialog

java.awt.Dialog.AccessibleAWTDialog, java.awt.Dialog.ModalExclusionType, java.awt.Dialog.ModalityType

Nested classes/interfaces inherited from class java.awt.Window

java.awt.Window.AccessibleAWTWindow, java.awt.Window.Type

Nested classes/interfaces inherited from class java.awt.Container

java.awt.Container.AccessibleAWTContainer

Nested classes/interfaces inherited from class java.awt.Component

java.awt.Component.AccessibleAWTComponent, java.awt.Component.BaselineResizeBehavior, java.awt.Component.BltBufferStrategy, java.awt.Component.FlipBufferStrategy

Field Summary

Fields

Modifier and Type	Field and Description
protected javax.swing.JComboBox<java.lang.String>	at1
protected javax.swing.JComboBox<java.lang.String>	at2
protected javax.swing.JComboBox<java.lang.String>	bas2
protected java.lang.String[]	bend
private static int	BEND_VIS
(package private) static int	CMO_VIS
protected javax.swing.JComboBox<java.lang.String>	col
protected javax.swing.JPanel	comboBox
protected java.lang.String[]	dip
protected java.lang.String[]	e2
private static int	E2_VIS
protected java.lang.String	keyProp
private java.lang.String[]	keyW
private static int	KEYWD_BAS1BAS2
private static int	KEYWD_BEND
private static int	KEYWD_CMO
private static int	KEYWD_DIPOLE
private static int	KEYWD_E2PERT
private static int	KEYWD_NBO
private static int	KEYWD_NLMO
private static int	KEYWD_NPA
private static int	KEYWD_NRT
private static int	KEYWD_OPBAS
private static int	KEYWD_STERIC
protected javax.swing.JComboBox<java.lang.String>	keyWord
private javax.swing.DefaultListModel<java.lang.String>	listM
protected java.lang.String[]	mo
private static int	MO_VIS
protected java.lang.String[]	nbo
private static int	NBO_VIS
protected javax.swing.JComboBox<java.lang.String>	nbo1
protected javax.swing.JComboBox<java.lang.String>	nbo2
protected java.lang.String[]	nlmo
private static int	NLMO_VIS
protected java.lang.String[]	npa
private static int	NPA_VIS
protected java.lang.String[]	nrt
protected java.lang.String[]	op
private int	operator
protected javax.swing.JList<java.lang.String>	opList
protected javax.swing.JTextField	opTxt
protected javax.swing.JComboBox<java.lang.String>	orb
protected javax.swing.JComboBox<java.lang.String>	row
private boolean	secondPick
protected java.lang.String[]	steric
private static int	STERIC_VIS
protected boolean	twoOps
protected javax.swing.JComboBox<java.lang.String>	unit
protected javax.swing.JCheckBox	viewAll

Fields inherited from class org.openscience.jmol.app.nbo.NBODialogView

basis, basSet, btnCam, btnCont, btnPla, btnProf, btnShow, btnSign, btnStip, btnVec, btnView3D, camFieldIDs, camFields, contourFieldIDs, contourFields, dList, goBtn, goBtn2, iLast, iLastD, inLobes, keyword, keywordNumber, list, lists, model, numStor, oneD, pLab, planeFieldIDs, planeFields, selToggle, sLab, vectorFieldIDs, vectorFields, VIEW_STATE_CAMERA, VIEW_STATE_MAIN, VIEW_STATE_PLANE, VIEW_STATE_VECTOR, viewState, vLab

Fields inherited from class org.openscience.jmol.app.nbo.NBODialogRun

fileData, fileData2, gau, listModel, lstKeywords, params

Fields inherited from class org.openscience.jmol.app.nbo.NBODialogModel

editBox, jbEdit, jbSym, jCheckAtomNum, jComboSave, jComboUse, jrFileIn, jrJmolIn, jrLineIn, jtJmolInput, jtLineInput, jtSelectAtoms, tfExtS, tfFolderS, tfNameS, usePath

Fields inherited from class org.openscience.jmol.app.nbo.NBODialogConfig

action, alterHelp, browse, chbHelp, clipHelp, dataPathLabel, DEFAULT_PARAMS, DIALOG_CONFIG, DIALOG_LIST, DIALOG_MODEL, DIALOG_RUN, DIALOG_SEARCH, DIALOG_VIEW, dialogMode, editPane2, Field, fileText, fuseHelp, go, haveService, helpBtn, helpConfig, helpModel, icon, inputFile, isJmolNBO, jmolAtomCount, jobStem, jpNboOutput, linkHelp, mainButtons, modelButton, module, mutateHelp, nboFont, nboPathButton, nboService, PANEL_CENTER, PANEL_MODEL_SELECT, PANEL_RIGHT, PANEL_RUN_FILE, PANEL_RUN_SELECT, PANEL_SEARCH_CENTER, PANEL_SEARCH_OUT, PANEL_SEARCH_SELECT, PANEL_STATUS, PANEL_TOP, PANEL_VIEW_SELECT, rebondHelp, reqInfo, runButton, saveHelp, searchButton, searchHelp, sep, serverPathLabel, showHelp, showWorkPathDone, statusLab, statusPanel, switchHelp, symHelp, tfExt, tfFolder, tfName, topPanel, twistHelp, unifyHelp, useHelp, viewButton, vwr, workingPath

Fields inherited from class javax.swing.JDialog

accessibleContext, rootPane, rootPaneCheckingEnabled

Fields inherited from class java.awt.Dialog

DEFAULT_MODALITY_TYPE

Fields inherited from class java.awt.Component

BOTTOM_ALIGNMENT, CENTER_ALIGNMENT, LEFT_ALIGNMENT, RIGHT_ALIGNMENT, TOP_ALIGNMENT

Fields inherited from interface javax.swing.WindowConstants

DISPOSE_ON_CLOSE, DO_NOTHING_ON_CLOSE, EXIT_ON_CLOSE, HIDE_ON_CLOSE

Fields inherited from interface java.awt.image.ImageObserver

ABORT, ALLBITS, ERROR, FRAMEBITS, HEIGHT, PROPERTIES, SOMEBITS, WIDTH

Constructor Summary

Constructors

Modifier	Constructor and Description
protected	NBODialogSearch(javax.swing.JFrame f)

Method Summary

Modifier and Type	Method and Description
protected void	basChange()
protected void	buildSearch(java.awt.Container p)
private void	changeKey(java.lang.String[] s)
protected void	getList1(java.lang.String get)
private void	getRs()
protected void	goSearchClicked()
protected void	labelAt()
protected void	listClicked(int index)
protected void	listLogic()
protected void	notifyCallbackS(int atomIndex)
private java.lang.String[]	opBas(java.lang.String operator)
protected void	rawInputS(java.lang.String cmd)
private javax.swing.JPanel	searchP(boolean view)
private javax.swing.JPanel	searchS()
protected void	setLists(java.lang.String[] get, java.lang.String[] labs)
protected void	showWorkpathDialogS(java.lang.String workingpath)

Methods inherited from class org.openscience.jmol.app.nbo.NBODialogView

basisSel, buildView, cam1, cam2, cam3, cam4, cam5, cam6, goViewClicked, nboResetV, notifyCallbackV, plane, processOrbitalList, rawInputV, select, showOrbJmol, showOrbJmol, showSelected, showView1D2D, showWorkpathDialogV, stip, vector, view3D

Methods inherited from class org.openscience.jmol.app.nbo.NBODialogRun

addList, addParams, buildRun, editOpChanged, essChanged, getParams, goRunClicked, removeListParams, runS, showWorkpathDialogR

Methods inherited from class org.openscience.jmol.app.nbo.NBODialogModel

actionSelected, buildModel, clearSelected, clip, editModel, enableComps, getModel, getSymmetry, helpDialogM, loadModel, modelCmd, modelOut, notifyCallbackM, rawInputM, showSaveDialog, showWorkpathDialogM

Methods inherited from class org.openscience.jmol.app.nbo.NBODialogConfig

appendOutput, appendOutputWithCaret, appendToFile, buildConfig, buildTopPanel, centerDialog, checkJmolNBO, clearInputFile, clearOutput, connect, folderBox, getExt, getHelp, getJobStem, nboReset, newNBOFile, rawCmd, saveHistory, saveWorkHistory, setComponents, setComponents2, setInputFile, setPreferredSPanelSize, setVisible, showNBOPathDialog

Methods inherited from class javax.swing.JDialog

addImpl, createRootPane, dialogInit, getAccessibleContext, getContentPane, getDefaultCloseOperation, getGlassPane, getGraphics, getJMenuBar, getLayeredPane, getRootPane, getTransferHandler, isDefaultLookAndFeelDecorated, isRootPaneCheckingEnabled, paramString, processWindowEvent, remove, repaint, setContentPane, setDefaultCloseOperation, setDefaultLookAndFeelDecorated, setGlassPane, setJMenuBar, setLayeredPane, setLayout, setRootPane, setRootPaneCheckingEnabled, setTransferHandler, update

Methods inherited from class java.awt.Dialog

addNotify, getModalityType, getTitle, hide, isModal, isResizable, isUndecorated, setBackground, setModal, setModalityType, setOpacity, setResizable, setShape, setTitle, setUndecorated, show, toBack

Methods inherited from class java.awt.Window

addPropertyChangeListener, addPropertyChangeListener, addWindowFocusListener, addWindowListener, addWindowStateListener, applyResourceBundle, applyResourceBundle, createBufferStrategy, createBufferStrategy, dispose, getBackground, getBufferStrategy, getFocusableWindowState, getFocusCycleRootAncestor, getFocusOwner, getFocusTraversalKeys, getIconImages, getInputContext, getListeners, getLocale, getModalExclusionType, getMostRecentFocusOwner, getOpacity, getOwnedWindows, getOwner, getOwnerlessWindows, getShape, getToolkit, getType, getWarningString, getWindowFocusListeners, getWindowListeners, getWindows, getWindowStateListeners, isActive, isAlwaysOnTop, isAlwaysOnTopSupported, isAutoRequestFocus, isFocusableWindow, isFocusCycleRoot, isFocused, isLocationByPlatform, isOpaque, isShowing, isValidateRoot, pack, paint, postEvent, processEvent, processWindowFocusEvent, processWindowStateEvent, removeNotify, removeWindowFocusListener, removeWindowListener, removeWindowStateListener, reshape, setAlwaysOnTop, setAutoRequestFocus, setBounds, setBounds, setCursor, setFocusableWindowState, setFocusCycleRoot, setIconImage, setIconImages, setLocation, setLocation, setLocationByPlatform, setLocationRelativeTo, setMinimumSize, setModalExclusionType, setSize, setSize, setType, toFront

Methods inherited from class java.awt.Container

add, add, add, add, add, addContainerListener, applyComponentOrientation, areFocusTraversalKeysSet, countComponents, deliverEvent, doLayout, findComponentAt, findComponentAt, getAlignmentX, getAlignmentY, getComponent, getComponentAt, getComponentAt, getComponentCount, getComponents, getComponentZOrder, getContainerListeners, getFocusTraversalPolicy, getInsets, getLayout, getMaximumSize, getMinimumSize, getMousePosition, getPreferredSize, insets, invalidate, isAncestorOf, isFocusCycleRoot, isFocusTraversalPolicyProvider, isFocusTraversalPolicySet, layout, list, list, locate, minimumSize, paintComponents, preferredSize, print, printComponents, processContainerEvent, remove, removeAll, removeContainerListener, setComponentZOrder, setFocusTraversalKeys, setFocusTraversalPolicy, setFocusTraversalPolicyProvider, setFont, transferFocusDownCycle, validate, validateTree

Methods inherited from class java.awt.Component

action, add, addComponentListener, addFocusListener, addHierarchyBoundsListener, addHierarchyListener, addInputMethodListener, addKeyListener, addMouseListener, addMouseMotionListener, addMouseWheelListener, bounds, checkImage, checkImage, coalesceEvents, contains, contains, createImage, createImage, createVolatileImage, createVolatileImage, disable, disableEvents, dispatchEvent, enable, enable, enableEvents, enableInputMethods, firePropertyChange, firePropertyChange, firePropertyChange, firePropertyChange, firePropertyChange, firePropertyChange, firePropertyChange, firePropertyChange, firePropertyChange, getBaseline, getBaselineResizeBehavior, getBounds, getBounds, getColorModel, getComponentListeners, getComponentOrientation, getCursor, getDropTarget, getFocusListeners, getFocusTraversalKeysEnabled, getFont, getFontMetrics, getForeground, getGraphicsConfiguration, getHeight, getHierarchyBoundsListeners, getHierarchyListeners, getIgnoreRepaint, getInputMethodListeners, getInputMethodRequests, getKeyListeners, getLocation, getLocation, getLocationOnScreen, getMouseListeners, getMouseMotionListeners, getMousePosition, getMouseWheelListeners, getName, getParent, getPeer, getPropertyChangeListeners, getPropertyChangeListeners, getSize, getSize, getTreeLock, getWidth, getX, getY, gotFocus, handleEvent, hasFocus, imageUpdate, inside, isBackgroundSet, isCursorSet, isDisplayable, isDoubleBuffered, isEnabled, isFocusable, isFocusOwner, isFocusTraversable, isFontSet, isForegroundSet, isLightweight, isMaximumSizeSet, isMinimumSizeSet, isPreferredSizeSet, isValid, isVisible, keyDown, keyUp, list, list, list, location, lostFocus, mouseDown, mouseDrag, mouseEnter, mouseExit, mouseMove, mouseUp, move, nextFocus, paintAll, prepareImage, prepareImage, printAll, processComponentEvent, processFocusEvent, processHierarchyBoundsEvent, processHierarchyEvent, processInputMethodEvent, processKeyEvent, processMouseEvent, processMouseMotionEvent, processMouseWheelEvent, remove, removeComponentListener, removeFocusListener, removeHierarchyBoundsListener, removeHierarchyListener, removeInputMethodListener, removeKeyListener, removeMouseListener, removeMouseMotionListener, removeMouseWheelListener, removePropertyChangeListener, removePropertyChangeListener, repaint, repaint, repaint, requestFocus, requestFocus, requestFocusInWindow, requestFocusInWindow, resize, resize, revalidate, setComponentOrientation, setDropTarget, setEnabled, setFocusable, setFocusTraversalKeysEnabled, setForeground, setIgnoreRepaint, setLocale, setMaximumSize, setName, setPreferredSize, show, size, toString, transferFocus, transferFocusBackward, transferFocusUpCycle

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Field Detail

operator

private int operator

twoOps

protected boolean twoOps

comboBox

protected javax.swing.JPanel comboBox

opTxt

protected javax.swing.JTextField opTxt

bas2

protected javax.swing.JComboBox<java.lang.String> bas2

orb

protected javax.swing.JComboBox<java.lang.String> orb

nbo1

protected javax.swing.JComboBox<java.lang.String> nbo1

nbo2

protected javax.swing.JComboBox<java.lang.String> nbo2

unit

protected javax.swing.JComboBox<java.lang.String> unit

at1

protected javax.swing.JComboBox<java.lang.String> at1

at2

protected javax.swing.JComboBox<java.lang.String> at2

row

protected javax.swing.JComboBox<java.lang.String> row

col

protected javax.swing.JComboBox<java.lang.String> col

keyWord

protected javax.swing.JComboBox<java.lang.String> keyWord

keyProp

protected java.lang.String keyProp

viewAll

protected javax.swing.JCheckBox viewAll

opList

protected javax.swing.JList<java.lang.String> opList

listM

private javax.swing.DefaultListModel<java.lang.String> listM

KEYWD_NPA

private static final int KEYWD_NPA

See Also:

Constant Field Values

KEYWD_NBO

private static final int KEYWD_NBO

See Also:

Constant Field Values

KEYWD_BEND

private static final int KEYWD_BEND

See Also:

Constant Field Values

KEYWD_E2PERT

private static final int KEYWD_E2PERT

See Also:

Constant Field Values

KEYWD_NLMO

private static final int KEYWD_NLMO

See Also:

Constant Field Values

KEYWD_NRT

private static final int KEYWD_NRT

See Also:

Constant Field Values

KEYWD_STERIC

private static final int KEYWD_STERIC

See Also:

Constant Field Values

KEYWD_CMO

private static final int KEYWD_CMO

See Also:

Constant Field Values

KEYWD_DIPOLE

private static final int KEYWD_DIPOLE

See Also:

Constant Field Values

KEYWD_OPBAS

private static final int KEYWD_OPBAS

See Also:

Constant Field Values

KEYWD_BAS1BAS2

private static final int KEYWD_BAS1BAS2

See Also:

Constant Field Values

NPA_VIS

private static final int NPA_VIS

See Also:

Constant Field Values

NBO_VIS

private static final int NBO_VIS

See Also:

Constant Field Values

BEND_VIS

private static final int BEND_VIS

See Also:

Constant Field Values

E2_VIS

private static final int E2_VIS

See Also:

Constant Field Values

NLMO_VIS

private static final int NLMO_VIS

See Also:

Constant Field Values

STERIC_VIS

private static final int STERIC_VIS

See Also:

Constant Field Values

MO_VIS

private static final int MO_VIS

See Also:

Constant Field Values

CMO_VIS

static final int CMO_VIS

See Also:

Constant Field Values

keyW

private java.lang.String[] keyW

npa

protected java.lang.String[] npa

nbo

protected java.lang.String[] nbo

bend

protected java.lang.String[] bend

e2

protected java.lang.String[] e2

nlmo

protected java.lang.String[] nlmo

nrt

protected java.lang.String[] nrt

steric

protected java.lang.String[] steric

mo

protected java.lang.String[] mo

dip

protected java.lang.String[] dip

op

protected java.lang.String[] op

secondPick

private boolean secondPick

Constructor Detail

NBODialogSearch

protected NBODialogSearch(javax.swing.JFrame f)

Method Detail

buildSearch

protected void buildSearch(java.awt.Container p)

searchP

private javax.swing.JPanel searchP(boolean view)

searchS

private javax.swing.JPanel searchS()

getList1

protected void getList1(java.lang.String get)

setLists

protected void setLists(java.lang.String[] get,
                        java.lang.String[] labs)

basChange

protected void basChange()

changeKey

private void changeKey(java.lang.String[] s)

listLogic

protected void listLogic()

opBas

private java.lang.String[] opBas(java.lang.String operator)

listClicked

protected void listClicked(int index)

labelAt

protected void labelAt()

showWorkpathDialogS

protected void showWorkpathDialogS(java.lang.String workingpath)

Specified by:

showWorkpathDialogS in class NBODialogConfig

getRs

private void getRs()

goSearchClicked

protected void goSearchClicked()

notifyCallbackS

protected void notifyCallbackS(int atomIndex)

rawInputS

protected void rawInputS(java.lang.String cmd)