public abstract class JDXDataObject extends JDXHeader
Modifier and Type | Field and Description |
---|---|
int |
dataPointNum |
static double |
ERROR
Error number that is returned when a min value is undefined
|
double |
fileFirstX |
double |
fileLastX |
double |
freq2dX |
double |
freq2dY |
int |
nPointsFile |
java.lang.String |
nucleusX |
java.lang.String |
nucleusY |
int |
numDim |
double |
observedFreq |
java.lang.String |
observedNucl |
double |
offset |
static int |
SCALE_BOTTOM |
static int |
SCALE_NONE |
static int |
SCALE_TOP |
static int |
SCALE_TOP_BOTTOM |
int |
shiftRefType |
java.lang.String |
varName |
double |
xFactor |
java.lang.String |
y2DUnits |
double |
yFactor |
Constructor and Description |
---|
JDXDataObject() |
Modifier and Type | Method and Description |
---|---|
boolean |
canConvertTransAbs() |
boolean |
canIntegrate() |
boolean |
canSaveAsJDX() |
boolean |
canShowSolutionColor() |
void |
checkRequiredTokens() |
void |
copyTo(JDXDataObject newObj) |
java.lang.Object[] |
getDefaultAnnotationInfo(Annotation.AType type) |
double |
getDeltaX()
Returns the delta X
|
java.lang.String |
getFilePath() |
java.lang.String |
getFilePathForwardSlash() |
double |
getFirstX()
Returns the first X value
|
double |
getFirstY()
Returns the first Y value
|
java.lang.String[][] |
getHeaderRowDataAsArray() |
double |
getLastX()
Returns the last X value
|
double |
getLastY()
Returns the last Y value
|
double |
getMaxX()
Calculates and returns the maximum x value in the list of coordinates
Fairly expensive operation
|
double |
getMaxY()
Calculates and returns the maximum y value in the list of coordinates
Fairly expensive operation
|
double |
getMinX()
Calculates and returns the minimum x value in the list of coordinates
Fairly expensive operation
|
double |
getMinY()
Calculates and returns the minimum y value in the list of coordinates
Fairly expensive operation
|
int |
getNumberOfPoints()
Returns the number of points
|
double |
getObservedFreq()
Returns the observed frequency (for NMR Spectra)
|
double[] |
getPeakListArray(Measurement m,
double[] last,
double maxY) |
java.lang.String |
getPeakPickHash() |
java.lang.String |
getTypeLabel() |
double |
getXFactor()
Returns the original x factor
|
java.lang.String |
getXUnits()
Returns the units for x-axis when spectrum is displayed
|
double |
getY2D() |
double |
getY2DPPM() |
double |
getYFactor()
Returns the original y factor
|
double |
getYRef() |
java.lang.String |
getYUnits()
Returns the units for y-axis when spectrum is displayed
|
boolean |
is1D() |
boolean |
isAbsorbance() |
boolean |
isAutoOverlayFromJmolClick() |
boolean |
isContinuous()
Returns true if spectrum is continuous
|
boolean |
isHNMR()
Determines if a spectrum is an HNMR spectrum
|
boolean |
isHZtoPPM()
Determines if the spectrum should be displayed with abscissa unit of Part
Per Million (PPM) instead of Hertz (HZ)
|
boolean |
isImaginary() |
boolean |
isInverted() |
boolean |
isNMR() |
boolean |
isScalable() |
boolean |
isStackable() |
boolean |
isTransmittance() |
boolean |
isXIncreasing()
Returns true if the spectrum is increasing
|
void |
setBlockID(double id) |
void |
setContinuous(boolean val)
Sets value to true if spectrum is continuous
|
void |
setFilePath(java.lang.String filePath) |
void |
setHZtoPPM(boolean val)
Sets the value to true if the spectrum should be displayed with abscissa
unit of Part Per Million (PPM) instead of Hertz (HZ)
|
void |
setIncreasing(boolean val)
Sets value to true if spectrum is increasing
|
java.lang.String |
setMeasurementText(Measurement m) |
void |
setNucleus(java.lang.String nuc,
boolean isX) |
void |
setObservedFreq(double observedFreq)
Sets the Observed Frequency (for NMR Spectra)
|
void |
setObservedNucleus(java.lang.String value) |
void |
setXFactor(double xFactor)
Sets the original xfactor
|
void |
setXLabel(java.lang.String value) |
void |
setXUnits(java.lang.String xUnits)
Sets the units for the x axis
|
void |
setXYCoords(Coordinate[] coords)
Sets the array of coordinates
|
void |
setY2D(double d) |
void |
setY2DUnits(java.lang.String units) |
void |
setYFactor(double yFactor)
Sets the original y factor
|
void |
setYLabel(java.lang.String value) |
void |
setYUnits(java.lang.String yUnits)
Sets the units for the y axis
|
boolean |
shouldDisplayXAxisIncreasing()
Determines if the plot should be displayed decreasing by default
|
getDataClass, getDataType, getDate, getHeaderRowDataAsArray, getHeaderTable, getJcampdx, getLongDate, getOrigin, getOwner, getQualifiedDataType, getTime, getTitle, setDataClass, setDataType, setDate, setHeaderTable, setJcampdx, setLongDate, setOrigin, setOwner, setTime, setTitle
public static final double ERROR
public double fileFirstX
public double fileLastX
public int nPointsFile
public double xFactor
public double yFactor
public java.lang.String varName
public static final int SCALE_NONE
public static final int SCALE_TOP
public static final int SCALE_BOTTOM
public static final int SCALE_TOP_BOTTOM
public java.lang.String observedNucl
public double observedFreq
public double offset
public int shiftRefType
public int dataPointNum
public int numDim
public java.lang.String nucleusX
public java.lang.String nucleusY
public double freq2dX
public double freq2dY
public java.lang.String y2DUnits
public void setFilePath(java.lang.String filePath)
public java.lang.String getFilePath()
public java.lang.String getFilePathForwardSlash()
public void setBlockID(double id)
public boolean isImaginary()
public void setXFactor(double xFactor)
xFactor
- the x factorpublic double getXFactor()
public void setYFactor(double yFactor)
yFactor
- the y factorpublic double getYFactor()
public void checkRequiredTokens() throws JSpecViewException
JSpecViewException
public void setXUnits(java.lang.String xUnits)
xUnits
- the x unitspublic java.lang.String getXUnits()
public void setYUnits(java.lang.String yUnits)
yUnits
- the y unitspublic java.lang.String getYUnits()
public void setXLabel(java.lang.String value)
public void setYLabel(java.lang.String value)
public void setObservedNucleus(java.lang.String value)
public void setObservedFreq(double observedFreq)
observedFreq
- the observed frequencypublic double getObservedFreq()
public boolean is1D()
public void setY2D(double d)
public double getY2D()
public void setY2DUnits(java.lang.String units)
public double getY2DPPM()
public void setNucleus(java.lang.String nuc, boolean isX)
public boolean isTransmittance()
public boolean isAbsorbance()
public boolean canSaveAsJDX()
public boolean canIntegrate()
public boolean isAutoOverlayFromJmolClick()
public boolean isStackable()
public boolean isScalable()
public double getYRef()
public boolean isInverted()
public boolean canConvertTransAbs()
public boolean canShowSolutionColor()
public boolean isHZtoPPM()
public void setHZtoPPM(boolean val)
val
- true or falsepublic void setIncreasing(boolean val)
val
- true if spectrum is increasingpublic boolean isXIncreasing()
public boolean shouldDisplayXAxisIncreasing()
public void setContinuous(boolean val)
val
- true if spectrum is continuouspublic boolean isContinuous()
public java.lang.String[][] getHeaderRowDataAsArray()
public java.lang.String getPeakPickHash()
public java.lang.String setMeasurementText(Measurement m)
public boolean isNMR()
public boolean isHNMR()
public void setXYCoords(Coordinate[] coords)
coords
- the array of Coordinatespublic double getFirstX()
public double getFirstY()
public double getLastX()
public double getLastY()
public int getNumberOfPoints()
public double getMinX()
public double getMinY()
public double getMaxX()
public double getMaxY()
public double getDeltaX()
public void copyTo(JDXDataObject newObj)
public java.lang.String getTypeLabel()
public java.lang.Object[] getDefaultAnnotationInfo(Annotation.AType type)
public double[] getPeakListArray(Measurement m, double[] last, double maxY)