Package org.jmol.scriptext
Class CmdExt
- java.lang.Object
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- org.jmol.scriptext.ScriptExt
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- org.jmol.scriptext.CmdExt
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public class CmdExt extends ScriptExt
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Constructor Summary
Constructors Constructor Description CmdExt()
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description private voidassign()Though a command, not documented.private voidcache()private voidcalculate()private voidcapture()private voidcenterAt()private intcheckPacked(int i, java.util.Map<java.lang.String,java.lang.Object> htParams, javajs.util.SB sOptions)Process FILL and PACKED and all their variants.private voidcompare()Compares one set of atoms to another, generating the matrix that takes that maps the first set's coordinates to the second's.private voidconfiguration()private voidconnect(int index)private voidconsole()private voiddata()java.lang.Stringdispatch(int iTok, boolean b, T[] st)private voidellipsoid()booleanevalParallel(ScriptContext context, ShapeManager shapeManager)used for TRY commandprivate javajs.util.BSexpFor(int i, javajs.util.BS bsAtoms)private java.lang.StringfilterShow(java.lang.String msg, java.lang.String name)java.lang.ObjectgetBitsetIdent(javajs.util.BS bs, java.lang.String label, java.lang.Object tokenValue, boolean useAtomMap, int index, boolean isExplicitlyAll)java.lang.ObjectgetBitsetIdentFull(javajs.util.BS bs, java.lang.String label, java.lang.Object tokenValue, boolean useAtomMap, int index, boolean isExplicitlyAll, java.lang.String[] sout)float[]getBitsetPropertyFloat(javajs.util.BS bs, int tok, java.lang.String property, float min, float max)private java.lang.StringgetContext(boolean withVariables)private java.lang.ObjectgetIsosurfaceJvxl(int iShape, java.lang.String type)intgetLoadSymmetryParams(int i, javajs.util.SB sOptions, java.util.Map<java.lang.String,java.lang.Object> htParams)private java.lang.StringgetMoJvxl(int ptMO, boolean isNBO)private floatgetPlotMinMax(float[] data, boolean isMax, int tok)private java.lang.StringgetScriptID(ScriptContext context)private voidimage()private voidinvertSelected()private voidmacro()private voidmapProperty()private voidmeasure()private voidminimize()private voidmodelkit()Configure the ModelKitPopup for Crystallographic symmetry viewing and structure editing new 14.29.45 see modelkit.ModelKitPopup.javaprivate voidmodulation()Allows for setting one or more specific t-values as well as full unit-cell shifts (multiples of q).private voidmutate()private voidnavigate()private java.lang.ObjectparseDataArray(java.lang.String str, boolean is3D)private java.lang.Stringplot(T[] args)private voidpolyhedra()javajs.util.Lst<java.lang.Object>prepareBinaryOutput(SV tvar)private voidshow()private voidstereo()private booleanstruts()private static inttokAtArray(int i, T[] args)private TtokenAt(int i, T[] args)private voidunitcell(int i)private java.lang.Stringwrite(T[] args)private java.lang.StringwriteMsg(java.lang.String msg)-
Methods inherited from class org.jmol.scriptext.ScriptExt
atomExpressionAt, centerParameter, checkLength, error, finalizeObject, floatParameter, getAllPoints, getColorTrans, getIntArray2, getPoint3f, getShapeProperty, getToken, init, intParameter, invArg, invPO, isFloatParameter, paramAsStr, setShapeId, setShapeProperty, showString, stringParameter, tokAt
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Field Detail
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ERROR_invalidArgument
static final int ERROR_invalidArgument
- See Also:
- Constant Field Values
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Method Detail
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dispatch
public java.lang.String dispatch(int iTok, boolean b, T[] st) throws ScriptException- Specified by:
dispatchin classScriptExt- Throws:
ScriptException
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modelkit
private void modelkit() throws ScriptExceptionConfigure the ModelKitPopup for Crystallographic symmetry viewing and structure editing new 14.29.45 see modelkit.ModelKitPopup.java- Throws:
ScriptException
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macro
private void macro() throws ScriptException- Throws:
ScriptException
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evalParallel
public boolean evalParallel(ScriptContext context, ShapeManager shapeManager)
used for TRY command- Parameters:
context-shapeManager-- Returns:
- true if successful; false if not
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getBitsetIdent
public java.lang.Object getBitsetIdent(javajs.util.BS bs, java.lang.String label, java.lang.Object tokenValue, boolean useAtomMap, int index, boolean isExplicitlyAll)
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getBitsetIdentFull
public java.lang.Object getBitsetIdentFull(javajs.util.BS bs, java.lang.String label, java.lang.Object tokenValue, boolean useAtomMap, int index, boolean isExplicitlyAll, java.lang.String[] sout)
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getLoadSymmetryParams
public int getLoadSymmetryParams(int i, javajs.util.SB sOptions, java.util.Map<java.lang.String,java.lang.Object> htParams) throws ScriptException- Throws:
ScriptException
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checkPacked
private int checkPacked(int i, java.util.Map<java.lang.String,java.lang.Object> htParams, javajs.util.SB sOptions) throws ScriptExceptionProcess FILL and PACKED and all their variants.- Parameters:
i-htParams-sOptions-- Returns:
- new token position
- Throws:
ScriptException
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cache
private void cache() throws ScriptException- Throws:
ScriptException
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calculate
private void calculate() throws ScriptException- Throws:
ScriptException
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capture
private void capture() throws ScriptException- Throws:
ScriptException
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centerAt
private void centerAt() throws ScriptException- Throws:
ScriptException
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compare
private void compare() throws ScriptExceptionCompares one set of atoms to another, generating the matrix that takes that maps the first set's coordinates to the second's. Options TRANSLATE and ROTATE will generate an animation. See interactive documentation for more details.- Throws:
ScriptException
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configuration
private void configuration() throws ScriptException- Throws:
ScriptException
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measure
private void measure() throws ScriptException- Throws:
ScriptException
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connect
private void connect(int index) throws ScriptException- Parameters:
index- 0 indicates hbond command- Throws:
ScriptException
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console
private void console() throws ScriptException- Throws:
ScriptException
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data
private void data() throws ScriptException- Throws:
ScriptException
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ellipsoid
private void ellipsoid() throws ScriptException- Throws:
ScriptException
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image
private void image() throws ScriptException- Throws:
ScriptException
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invertSelected
private void invertSelected() throws ScriptException- Throws:
ScriptException
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mapProperty
private void mapProperty() throws ScriptException- Throws:
ScriptException
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minimize
private void minimize() throws ScriptException- Throws:
ScriptException
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modulation
private void modulation() throws ScriptExceptionAllows for setting one or more specific t-values as well as full unit-cell shifts (multiples of q).- Throws:
ScriptException
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mutate
private void mutate() throws ScriptException- Throws:
ScriptException
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navigate
private void navigate() throws ScriptException- Throws:
ScriptException
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plot
private java.lang.String plot(T[] args) throws ScriptException
- Throws:
ScriptException
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polyhedra
private void polyhedra() throws ScriptException- Throws:
ScriptException
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write
private java.lang.String write(T[] args) throws ScriptException
- Parameters:
args-- Returns:
- string for write() function
- Throws:
ScriptException
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prepareBinaryOutput
public javajs.util.Lst<java.lang.Object> prepareBinaryOutput(SV tvar)
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writeMsg
private java.lang.String writeMsg(java.lang.String msg) throws ScriptException- Throws:
ScriptException
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show
private void show() throws ScriptException- Throws:
ScriptException
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filterShow
private java.lang.String filterShow(java.lang.String msg, java.lang.String name)
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stereo
private void stereo() throws ScriptException- Throws:
ScriptException
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struts
private boolean struts() throws ScriptException- Throws:
ScriptException
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unitcell
private void unitcell(int i) throws ScriptException- Throws:
ScriptException
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assign
private void assign() throws ScriptExceptionThough a command, not documented. Use the MODELKIT command instead- Throws:
ScriptException
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expFor
private javajs.util.BS expFor(int i, javajs.util.BS bsAtoms) throws ScriptException- Throws:
ScriptException
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getContext
private java.lang.String getContext(boolean withVariables)
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getIsosurfaceJvxl
private java.lang.Object getIsosurfaceJvxl(int iShape, java.lang.String type)
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getMoJvxl
private java.lang.String getMoJvxl(int ptMO, boolean isNBO) throws ScriptException- Throws:
ScriptException
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getScriptID
private java.lang.String getScriptID(ScriptContext context)
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tokAtArray
private static int tokAtArray(int i, T[] args)
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getPlotMinMax
private float getPlotMinMax(float[] data, boolean isMax, int tok)
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parseDataArray
private java.lang.Object parseDataArray(java.lang.String str, boolean is3D)
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getBitsetPropertyFloat
public float[] getBitsetPropertyFloat(javajs.util.BS bs, int tok, java.lang.String property, float min, float max) throws ScriptException- Throws:
ScriptException
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