Package jspecview.common

Class IntegralData

java.lang.Object
java.util.AbstractCollection<Measurement>
java.util.AbstractList<Measurement>
java.util.ArrayList<Measurement>
javajs.util.Lst<Measurement>
jspecview.common.MeasurementData
jspecview.common.IntegralData
All Implemented Interfaces:
Serializable, Cloneable, Iterable<Measurement>, Collection<Measurement>, List<Measurement>, RandomAccess, SequencedCollection<Measurement>, AnnotationData
public class IntegralData extends MeasurementData
from IntegralGraph a data structure for integration settings
Author:
Bob Hanson hansonr@stolaf.edu
See Also:

  • Field Details

  • Constructor Details

    • IntegralData

      public IntegralData(double integralMinY, double integralOffset, double integralRange, Spectrum spec)
      Parameters:
      integralMinY - not used
      integralOffset -
      integralRange -
      spec -

    • IntegralData

      public IntegralData(Spectrum spec, Parameters p)

  • Method Details

    • getPercentMinimumY

      public double getPercentMinimumY()

    • getPercentOffset

      public double getPercentOffset()

    • getIntegralFactor

      public double getIntegralFactor()

    • update

      public void update(Parameters parameters)

    • update

      public void update(double integralMinY, double integralOffset, double integralRange)
      minY is ignored
      Parameters:
      integralMinY -
      integralOffset -
      integralRange -

    • addIntegralRegion

      public Integral addIntegralRegion(double x1, double x2)
      Parameters:
      x1 - NaN to clear
      x2 - NaN to split
      Returns:
      new integral region or null

    • setSpecShift

      public void setSpecShift(double dx)
      Specified by:
      setSpecShift in interface AnnotationData
      Overrides:
      setSpecShift in class MeasurementData

    • addMarks

      public void addMarks(String ppms)
      INTEGRATION MARK list where list is a comma-separated list of ppm1-ppm2 with :x.x added to normalize one of them and starting with 0-0 clears the integration
      Parameters:
      ppms -

    • calculateIntegral

      public Coordinate[] calculateIntegral()

    • getIntegrationRatiosFromString

      public static Lst<Annotation> getIntegrationRatiosFromString(Spectrum spec, String key_values)
      Parses x-coordinates and values from a string and returns them as IntegrationRatio objects
      Parameters:
      spec -
      key_values - "x:value,x:value,x:value..."
      Returns:
      JmolList object representing integration ratios

    • getXYCoords

      public Coordinate[] getXYCoords()

    • getPercentYValueAt

      public double getPercentYValueAt(double x)
      Parameters:
      x -
      Returns:
      FRACTIONAL value * 100

    • dispose

      public void dispose()

    • setSelectedIntegral

      public void setSelectedIntegral(Measurement integral, double val)

    • clear

      public void clear()
      Specified by:
      clear in interface Collection<Measurement>
      Specified by:
      clear in interface List<Measurement>
      Overrides:
      clear in class ArrayList<Measurement>

    • remove

      public Measurement remove(int i)
      Specified by:
      remove in interface List<Measurement>
      Overrides:
      remove in class Lst<Measurement>

    • getBitSet

      public BS getBitSet()

    • getMeasurementListArray

      public String[][] getMeasurementListArray(String units)
      Overrides:
      getMeasurementListArray in class MeasurementData

    • getMeasurementListArrayReal

      public double[][] getMeasurementListArrayReal(String units)

    • getDataHeader

      public String[] getDataHeader()
      Overrides:
      getDataHeader in class MeasurementData

    • shiftY

      public void shiftY(int yOld, int yNew, int yPixel0, int yPixels)

    • autoIntegrate

      public void autoIntegrate()

    • getInfo

      public void getInfo(Map<String,Object> info)

    • setMinimumIntegral

      public void setMinimumIntegral(double val)