Package org.jmol.shapespecial
Class Dipoles
java.lang.Object
org.jmol.shape.Shape
org.jmol.shapespecial.Dipoles
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Field Summary
FieldsModifier and TypeFieldDescriptionprivate int
private int
private javajs.util.V3
private short
private Dipole
(package private) static final short
(package private) static final float
int
Dipole[]
private float
private static final float
private javajs.util.P3
private boolean
private boolean
private boolean
private short
private javajs.util.P3
private Dipole
private String
Fields inherited from class org.jmol.shape.Shape
bsColixSet, bsSizeSet, isBioShape, ms, myType, RADIUS_MAX, shapeID, translucentAllowed, translucentLevel, vf, vwr
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionprivate Dipole
allocDipole
(String thisID, String dipoleInfo) private void
clear
(boolean clearBondDipolesOnly) private void
deleteDipole
(Dipole dipole) private void
dumpDipoles
(String msg) private Dipole
findAtomDipole
(Atom atom1, Atom atom2, boolean doAllocate) private Dipole
findBondDipole
(Bond bond) private Dipole
findDipole
(String thisID) private Dipole
findDipoleFor
(String thisID, String dipoleInfo) private void
getAllMolecularDipoles
(javajs.util.BS bsAtoms) private void
private int
getDipoleIndex
(int atomIndex1, int atomIndex2) private int
getDipoleIndexFor
(String dipoleInfo, String thisID) int
getIndexFromName
(String thisID) private void
getMolecular
(javajs.util.BS bsMolecule) getProperty
(String property, int index) boolean
getPropertyData
(String property, Object[] data) void
private boolean
isBondDipole
(int i) private boolean
isSameAtoms
(Dipole dipole, String dipoleInfo) private void
setColixDipole
(short colix, int bondTypeMask, javajs.util.BS bs) private void
private void
setDipoleAtoms
(Atom atom1, Atom atom2, float c1, float c2) private void
void
setModelVisibilityFlags
(javajs.util.BS bsModels) void
setProperty
(String propertyName, Object value, javajs.util.BS bs) private void
setPropertyFor
(int tok, Dipole dipole, int iValue, float fValue) private void
setPropertyTok
(int tok, boolean bondOnly, int iValue, float fValue) Methods inherited from class org.jmol.shape.Shape
appendCmd, checkBoundsMinMax, checkObjectClicked, checkObjectDragged, checkObjectHovered, coordinateInRange, encodeColor, findNearestAtomIndex, getColix, getColixA, getColixB, getColixI, getColorCommand, getColorCommandUnk, getFontCommand, getPropShape, getSize, getSizeG, getTranslucentLabel, initializeShape, initModelSet, replaceGroup, setAtomClickability, setModelSet, setPropS, setShapeSizeRD, setSize, setSizeRD, wasClicked
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Field Details
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DEFAULT_MAD
static final short DEFAULT_MAD- See Also:
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DEFAULT_OFFSETSIDE
static final float DEFAULT_OFFSETSIDE- See Also:
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dipoleCount
public int dipoleCount -
dipoles
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currentDipole
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tempDipole
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startCoord
private javajs.util.P3 startCoord -
endCoord
private javajs.util.P3 endCoord -
dipoleValue
private float dipoleValue -
isUserValue
private boolean isUserValue -
isBond
private boolean isBond -
iHaveTwoEnds
private boolean iHaveTwoEnds -
atomIndex1
private int atomIndex1 -
atomIndex2
private int atomIndex2 -
colix
private short colix -
calculatedDipole
private javajs.util.V3 calculatedDipole -
wildID
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mad
private short mad -
E_ANG_PER_DEBYE
private static final float E_ANG_PER_DEBYE- See Also:
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Constructor Details
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Dipoles
public Dipoles()
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Method Details
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initShape
public void initShape() -
setProperty
- Specified by:
setProperty
in classShape
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getMolecular
private void getMolecular(javajs.util.BS bsMolecule) -
getAllMolecularDipoles
private void getAllMolecularDipoles(javajs.util.BS bsAtoms) -
setPropertyTok
private void setPropertyTok(int tok, boolean bondOnly, int iValue, float fValue) -
setPropertyFor
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getPropertyData
- Overrides:
getPropertyData
in classShape
- Parameters:
property
-data
-- Returns:
- true if serviced
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getProperty
- Overrides:
getProperty
in classShape
- Parameters:
property
-index
-- Returns:
- true if serviced
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getBondDipoles
private void getBondDipoles() -
isBondDipole
private boolean isBondDipole(int i) -
setColixDipole
private void setColixDipole(short colix, int bondTypeMask, javajs.util.BS bs) -
setDipole
private void setDipole() -
setDipoleAtoms
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getDipoleIndexFor
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isSameAtoms
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getDipoleIndex
private int getDipoleIndex(int atomIndex1, int atomIndex2) -
deleteDipole
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findDipole
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findAtomDipole
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findBondDipole
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findDipoleFor
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allocDipole
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dumpDipoles
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clear
private void clear(boolean clearBondDipolesOnly) -
getIndexFromName
- Overrides:
getIndexFromName
in classShape
- Parameters:
thisID
-- Returns:
- index
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getShapeDetail
- Overrides:
getShapeDetail
in classShape
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setModelIndex
private void setModelIndex() -
setModelVisibilityFlags
public void setModelVisibilityFlags(javajs.util.BS bsModels) - Overrides:
setModelVisibilityFlags
in classShape
- Parameters:
bsModels
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getShapeState
- Specified by:
getShapeState
in classShape
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