RdcPanda
Class Hncacb

java.lang.Object
  extended by RdcPanda.Hncacb

public class Hncacb
extends java.lang.Object

This class defines data structures related to Hncacb. Written by Lincong Wang (2001-2005).


Nested Class Summary
static class Hncacb.c13Comparator
          The Class c13Comparator.
static class Hncacb.hnComparator
          The Class hnComparator.
static class Hncacb.n15Comparator
          The Class n15Comparator.
static class Hncacb.peakNoComparator
          The Class peakNoComparator.
static class Hncacb.resNoComparator
          The Class resNoComparator.
 
Constructor Summary
Hncacb()
          Instantiates a new hncacb.
Hncacb(int no)
          Instantiates a new hncacb.
Hncacb(int pkNo, int no, java.lang.String resid, double H1, double N15, double c13Vec, double inten)
          Instantiates a new hncacb.
 
Method Summary
 double getC13()
          Gets the c13.
 double getH1()
          Gets the h1.
 double getIntensity()
          Gets the intensity.
 double getN15()
          Gets the n15.
 int getPeakNo()
          Gets the peak no.
 int getResidueNo()
          Gets the residue no.
 java.util.Vector hncacbRead(java.lang.String filename)
          A method for reading files with RDC restraints.
 java.util.Vector mergeHNCACB(java.util.Vector pkVec)
          Merge hncacb.
 java.util.Vector rangeSearch(java.lang.String nucType, double a, double b, java.util.Vector pkVec)
          Range search.
 void setResidueNo(int R)
          Sets the residue no.
 java.lang.String toString()
           
 
Methods inherited from class java.lang.Object
equals, getClass, hashCode, notify, notifyAll, wait, wait, wait
 

Constructor Detail

Hncacb

public Hncacb()
Instantiates a new hncacb.


Hncacb

public Hncacb(int no)
Instantiates a new hncacb.

Parameters:
no - the no

Hncacb

public Hncacb(int pkNo,
              int no,
              java.lang.String resid,
              double H1,
              double N15,
              double c13Vec,
              double inten)
Instantiates a new hncacb.

Parameters:
pkNo - the pk no
no - the no
resid - the resid
H1 - the h1
N15 - the n15
c13Vec - the c13 vec
inten - the inten
Method Detail

getPeakNo

public int getPeakNo()
Gets the peak no.

Returns:
the peak no

getResidueNo

public int getResidueNo()
Gets the residue no.

Returns:
the residue no

getH1

public double getH1()
Gets the h1.

Returns:
the h1

getN15

public double getN15()
Gets the n15.

Returns:
the n15

getC13

public double getC13()
Gets the c13.

Returns:
the c13

getIntensity

public double getIntensity()
Gets the intensity.

Returns:
the intensity

setResidueNo

public void setResidueNo(int R)
Sets the residue no.

Parameters:
R - the new residue no

toString

public java.lang.String toString()
Overrides:
toString in class java.lang.Object

hncacbRead

public java.util.Vector hncacbRead(java.lang.String filename)
A method for reading files with RDC restraints. The required file format is: residue No. RDC value, experimental error. Must have only three items per line. Otherwise, errors.

Parameters:
filename - the name of the file
Returns:
a vector of RDC object

rangeSearch

public java.util.Vector rangeSearch(java.lang.String nucType,
                                    double a,
                                    double b,
                                    java.util.Vector pkVec)
Range search.

Parameters:
nucType - the nuc type
a - the a
b - the b
pkVec - the pk vec
Returns:
the vector

mergeHNCACB

public java.util.Vector mergeHNCACB(java.util.Vector pkVec)
Merge hncacb.

Parameters:
pkVec - the pk vec
Returns:
the vector