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java.lang.ObjectRdcPanda.HnNoe
public class HnNoe
This class defines data structures related to N-15 labeled NOEs. This class is no longer used and replaced by H1CS. Written by Lincong Wang (2001-2005).
Nested Class Summary | |
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static class |
HnNoe.h1Comparator
The Class h1Comparator. |
static class |
HnNoe.hnComparator
The Class hnComparator. |
static class |
HnNoe.n15Comparator
The Class n15Comparator. |
static class |
HnNoe.resNoComparator
The Class resNoComparator. |
Constructor Summary | |
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HnNoe()
Instantiates a new hn noe. |
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HnNoe(double HN,
double N15,
double H1)
Instantiates a new hn noe. |
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HnNoe(int no)
Instantiates a new hn noe. |
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HnNoe(int no,
java.lang.String resid,
double HN,
double N15,
double H1,
double inten)
Instantiates a new hn noe. |
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HnNoe(int no,
java.lang.String resid,
double HN,
double N15,
double H1,
double inten,
double uncn)
Instantiates a new hn noe. |
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HnNoe(int no,
java.lang.String resid,
double HN,
double N15,
double H1,
double inten,
java.util.Map aMap)
Instantiates a new hn noe. |
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HnNoe(int no,
java.lang.String resid,
double HN,
double N15,
double H1,
int labelType)
Instantiates a new hn noe. |
Method Summary | |
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java.util.Map |
getAssignMap()
Gets the assign map. |
double |
getH1()
Gets the h1. |
double |
getHN()
Gets the hN. |
double |
getIntensity()
Gets the intensity. |
int |
getLabel()
Gets the label. |
double |
getN15()
Gets the n15. |
int |
getResidueNo()
Gets the residue no. |
java.lang.String |
getResidueType()
Gets the residue type. |
java.util.Vector |
hnNoeReader(java.lang.String filename)
A method for reading NOE files The required file format is:. |
java.util.Vector |
hnNoeReader2(java.lang.String filename)
Another method for reading NOE files The required file format is:. |
java.util.Vector |
mergeHnNoe(java.util.Vector pkVec,
double epsH,
double epsN)
a method to merge NOE peaks since some NOE peaks are picked with a lightly different CS more than once. |
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)
Extract all the HnNoe objects with proton CS or N15 CS in the range of [a, b] from an array of NOE peaks. |
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 HnNoe()
public HnNoe(int no)
no
- the nopublic HnNoe(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 HnNoe(int no, java.lang.String resid, double HN, double N15, double H1, double inten, double uncn)
no
- the noresid
- the residHN
- the hNN15
- the n15H1
- the h1inten
- the intenuncn
- the uncnpublic HnNoe(int no, java.lang.String resid, double HN, double N15, double H1, int labelType)
no
- the noresid
- the residHN
- the hNN15
- the n15H1
- the h1labelType
- the label typepublic HnNoe(int no, java.lang.String resid, double HN, double N15, double H1, double inten, java.util.Map aMap)
no
- the noresid
- the residHN
- the hNN15
- the n15H1
- the h1inten
- the intenaMap
- the a mappublic HnNoe(double HN, double N15, double H1)
HN
- the hNN15
- the n15H1
- the h1Method Detail |
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public int getResidueNo()
public int getLabel()
public java.lang.String getResidueType()
public double getHN()
public double getN15()
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 hnNoeReader(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 hnNoeReader2(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 type of nucleus: H1 or N15a
- the lower limit of the rangeb
- the up limit of the rangepkVec
- an array of NOE peaks.
public java.util.Vector mergeHnNoe(java.util.Vector pkVec, double epsH, double epsN)
pkVec
- the pk vecepsH
- the eps hepsN
- the eps n
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