RdcPanda
Class HcchTocsy

java.lang.Object
  extended by RdcPanda.HcchTocsy

public class HcchTocsy
extends java.lang.Object

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


Nested Class Summary
static class HcchTocsy.c13Comparator
          The Class c13Comparator.
static class HcchTocsy.h1Comparator
          The Class h1Comparator.
static class HcchTocsy.haComparator
          The Class haComparator.
static class HcchTocsy.resNoComparator
          The Class resNoComparator.
 
Constructor Summary
HcchTocsy()
          Instantiates a new hcch tocsy.
HcchTocsy(int no)
          Instantiates a new hcch tocsy.
HcchTocsy(int no, java.lang.String resid, double HN, double N15, double H1, double inten)
          Instantiates a new hcch tocsy.
HcchTocsy(int no, java.lang.String resid, double HN, double N15, double H1, double inten, double uncern)
          Instantiates a new hcch tocsy.
 
Method Summary
 java.util.Vector deleteRepeat(java.util.Vector hcchVec, double epsH, double epsH1, double epsC13)
          Delete repeat.
 java.util.Map getAssignMap()
          Gets the assign map.
 double getC13()
          Gets the c13.
 double getH1()
          Gets the h1.
 double getHA()
          Gets the hA.
 double getIntensity()
          Gets the intensity.
 int getResidueNo()
          Gets the residue no.
 java.lang.String getResidueType()
          Gets the residue type.
 java.util.Vector hcchReader(java.lang.String filename)
          read peak list generated by ANSIG.
 java.util.Vector hcchReader2(java.lang.String filename)
          Read peak list generated by NMRView.
 java.util.Vector hcchReader3(java.lang.String filename)
          Read peak list generated by NMRView.
 java.util.Vector hcchReader4(java.lang.String filename)
          Read the cnoe pk list generated manually.
 java.util.Vector mergeHcch(java.util.Vector pkVec, double epsH, double epsC)
          Merge hcch.
 java.util.Vector NoesyReader(java.lang.String filename)
          Read NOESY peaks in xeasy format The required file format is:.
 java.util.Vector rangeSearch(java.lang.String nucType, double a, double b, java.util.Vector pkVec)
          Range search.
 void setAssignMap(java.util.Map aMap)
          Sets the assign map.
 void setResidueNo(int R)
          Sets the residue no.
 void setResidueType(java.lang.String R)
          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

HcchTocsy

public HcchTocsy()
Instantiates a new hcch tocsy.


HcchTocsy

public HcchTocsy(int no)
Instantiates a new hcch tocsy.

Parameters:
no - the no

HcchTocsy

public HcchTocsy(int no,
                 java.lang.String resid,
                 double HN,
                 double N15,
                 double H1,
                 double inten)
Instantiates a new hcch tocsy.

Parameters:
no - the no
resid - the resid
HN - the hN
N15 - the n15
H1 - the h1
inten - the inten

HcchTocsy

public HcchTocsy(int no,
                 java.lang.String resid,
                 double HN,
                 double N15,
                 double H1,
                 double inten,
                 double uncern)
Instantiates a new hcch tocsy.

Parameters:
no - the no
resid - the resid
HN - the hN
N15 - the n15
H1 - the h1
inten - the inten
uncern - the uncern
Method Detail

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

getHA

public double getHA()
Gets the hA.

Returns:
the hA

getC13

public double getC13()
Gets the c13.

Returns:
the c13

getH1

public double getH1()
Gets the h1.

Returns:
the h1

getIntensity

public double getIntensity()
Gets the intensity.

Returns:
the intensity

getAssignMap

public java.util.Map getAssignMap()
Gets the assign map.

Returns:
the assign map

setResidueNo

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

Parameters:
R - the new residue no

setResidueType

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

Parameters:
R - the new residue type

setAssignMap

public void setAssignMap(java.util.Map aMap)
Sets the assign map.

Parameters:
aMap - the new assign map

toString

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

hcchReader

public java.util.Vector hcchReader(java.lang.String filename)
read peak list generated by ANSIG.

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

NoesyReader

public java.util.Vector NoesyReader(java.lang.String filename)
Read NOESY peaks in xeasy format The required file format is:.

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

hcchReader2

public java.util.Vector hcchReader2(java.lang.String filename)
Read peak list generated by NMRView.

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

hcchReader3

public java.util.Vector hcchReader3(java.lang.String filename)
Read peak list generated by NMRView.

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

hcchReader4

public java.util.Vector hcchReader4(java.lang.String filename)
Read the cnoe pk list generated manually.

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

deleteRepeat

public java.util.Vector deleteRepeat(java.util.Vector hcchVec,
                                     double epsH,
                                     double epsH1,
                                     double epsC13)
Delete repeat.

Parameters:
hcchVec - the hcch vec
epsH - the eps h
epsH1 - the eps h1
epsC13 - the eps c13
Returns:
the vector

mergeHcch

public java.util.Vector mergeHcch(java.util.Vector pkVec,
                                  double epsH,
                                  double epsC)
Merge hcch.

Parameters:
pkVec - the pk vec
epsH - the eps h
epsC - the eps c
Returns:
the vector