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java.lang.ObjectRdcPanda.HcchTocsy
public class HcchTocsy
This class defines data structures related to HcchTocsy. Written by Lincong Wang (2001-2005).
Nested Class Summary | |
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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 | |
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HcchTocsy()
Instantiates a new hcch tocsy. |
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HcchTocsy(int no)
Instantiates a new hcch tocsy. |
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HcchTocsy(int no,
java.lang.String resid,
double HN,
double N15,
double H1,
double inten)
Instantiates a new hcch tocsy. |
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HcchTocsy(int no,
java.lang.String resid,
double HN,
double N15,
double H1,
double inten,
double uncern)
Instantiates a new hcch tocsy. |
Method Summary | |
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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()
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Methods inherited from class java.lang.Object |
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equals, getClass, hashCode, notify, notifyAll, wait, wait, wait |
Constructor Detail |
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public HcchTocsy()
public HcchTocsy(int no)
no
- the nopublic HcchTocsy(int no, java.lang.String resid, double HN, double N15, double H1, double inten)
no
- the noresid
- the residHN
- the hNN15
- the n15H1
- the h1inten
- the intenpublic HcchTocsy(int no, java.lang.String resid, double HN, double N15, double H1, double inten, double uncern)
no
- the noresid
- the residHN
- the hNN15
- the n15H1
- the h1inten
- the intenuncern
- the uncernMethod Detail |
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public int getResidueNo()
public java.lang.String getResidueType()
public double getHA()
public double getC13()
public double getH1()
public double getIntensity()
public java.util.Map getAssignMap()
public void setResidueNo(int R)
R
- the new residue nopublic void setResidueType(java.lang.String R)
R
- the new residue typepublic void setAssignMap(java.util.Map aMap)
aMap
- the new assign mappublic java.lang.String toString()
toString
in class java.lang.Object
public java.util.Vector hcchReader(java.lang.String filename)
filename
- the name of the file
public java.util.Vector NoesyReader(java.lang.String filename)
filename
- the name of the file
public java.util.Vector hcchReader2(java.lang.String filename)
filename
- the name of the file
public java.util.Vector hcchReader3(java.lang.String filename)
filename
- the name of the file
public java.util.Vector hcchReader4(java.lang.String filename)
filename
- the name of the file
public java.util.Vector rangeSearch(java.lang.String nucType, double a, double b, java.util.Vector pkVec)
nucType
- the nuc typea
- the ab
- the bpkVec
- the pk vec
public java.util.Vector deleteRepeat(java.util.Vector hcchVec, double epsH, double epsH1, double epsC13)
hcchVec
- the hcch vecepsH
- the eps hepsH1
- the eps h1epsC13
- the eps c13
public java.util.Vector mergeHcch(java.util.Vector pkVec, double epsH, double epsC)
pkVec
- the pk vecepsH
- the eps hepsC
- the eps c
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