RdcPanda
Class Hsqc

java.lang.Object
  extended by RdcPanda.Hsqc

public class Hsqc
extends java.lang.Object

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


Nested Class Summary
static class Hsqc.hnComparator
          The Class hnComparator.
static class Hsqc.n15Comparator
          The Class n15Comparator.
static class Hsqc.peakNoComparator
          The Class peakNoComparator.
static class Hsqc.resNoComparator
          The Class resNoComparator.
 
Constructor Summary
Hsqc()
          Instantiates a new hsqc.
Hsqc(int no)
          Instantiates a new hsqc.
Hsqc(int pkNo, int no, java.lang.String resid, double H1, double N15, double inten)
          Instantiates a new hsqc.
 
Method Summary
 double getHN()
          Gets the hN.
 double getInt()
          Gets the int.
 double getN15()
          Gets the n15.
 int getPeakNo()
          Gets the peak no.
 int getResidueNo()
          Gets the residue no.
 java.lang.String getResidueType()
          Gets the residue type.
 java.util.Vector hsqcRead(java.lang.String filename)
          A method for reading files with RDC restraints.
 java.util.Vector hsqcReader2(java.lang.String filename)
          A method for reading files with RDC restraints.
 java.util.Vector hsqcReader3(java.lang.String filename)
          Hsqc reader3.
 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.
 void setResidueType(java.lang.String type)
          Sets the residue type.
 java.lang.String toString()
           
 
Methods inherited from class java.lang.Object
equals, getClass, hashCode, notify, notifyAll, wait, wait, wait
 

Constructor Detail

Hsqc

public Hsqc()
Instantiates a new hsqc.


Hsqc

public Hsqc(int no)
Instantiates a new hsqc.

Parameters:
no - the no

Hsqc

public Hsqc(int pkNo,
            int no,
            java.lang.String resid,
            double H1,
            double N15,
            double inten)
Instantiates a new hsqc.

Parameters:
pkNo - the pk no
no - the no
resid - the resid
H1 - the h1
N15 - the n15
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

getResidueType

public java.lang.String getResidueType()
Gets the residue type.

Returns:
the residue type

getHN

public double getHN()
Gets the hN.

Returns:
the hN

getN15

public double getN15()
Gets the n15.

Returns:
the n15

getInt

public double getInt()
Gets the int.

Returns:
the int

setResidueNo

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

Parameters:
R - the new residue no

setResidueType

public void setResidueType(java.lang.String type)
Sets the residue type.

Parameters:
type - the new residue type

toString

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

hsqcRead

public java.util.Vector hsqcRead(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

hsqcReader2

public java.util.Vector hsqcReader2(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

hsqcReader3

public java.util.Vector hsqcReader3(java.lang.String filename)
Hsqc reader3.

Parameters:
filename - the filename
Returns:
the vector

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